data_global

#=================================================

# 1. SUBMISSION DETAILS

_publ_contact_author    # Name and address of author for correspondence
;
      Professor Ming-Liang Tong
      School of Chemistry and Chemical Engineering
      Sun Yat-Sen University 
      Guangzhou 510275
      PR China
;
_publ_contact_author_phone  '86-20-8411-0966'
_publ_contact_author_fax    '81-20-8411-2245'
_publ_contact_author_email  'tongml@mail.sysu.edu.cn'
_publ_requested_joiurnal    'Inorg. Chem.'
_publ_requested_coeditor_name ?
_publ_contact_letter
;
Dear Sir or Madam:
Please consider this CIF as supplmentary data for a manuscript
submitted to Inorg. Chem.

Ming-Liang Tong
;
#=================================================================

# 2. PROCESSING SUMMARY (IUCr Office Use Only)

_journal_date_recd_electronic     ?

_journal_date_to_coeditor         ?
_journal_date_from_coeditor       ?
_journal_date_accepted            ?

_journal_date_printers_first      ?
_journal_date_printers_final      ?
_journal_date_proofs_out          ?
_journal_date_proofs_in           ?

_journal_coeditor_name            ?
_journal_coeditor_code            ?
_journal_coeditor_notes
 ?

_journal_techeditor_code          ?
_journal_techeditor_notes
 ?

_journal_coden_ASTM               ?
_journal_name_full                ?
_journal_year                     ?
_journal_volume                   ?
_journal_issue                    ?
_journal_page_first               ?
_journal_page_last                ?

_journal_suppl_publ_number        ?
_journal_suppl_publ_pages         ?

#=======================================================

# 3. TITLE AND AUTHOR LIST

_publ_section_title
;
 The First {Dy4} Single-Molecule Magnet
 with a Toroidal Magnetic Moment in the Ground State

;


loop_
 _publ_author_name
 _publ_author_address
     'Guo, Peng-Hu'
;     School of Chemistry and Chemical Engineering
      Sun Yat-Sen University 
      Guangzhou 510275
      P. R. China
;
      'Liu, Jun-Liang'
;     School of Chemistry and Chemical Engineering
      Sun Yat-Sen University 
      Guangzhou 510275
      P. R. China
;
     'Zhang, Ze-Ming'
;     School of Chemistry and Chemical Engineering
      Sun Yat-Sen University 
      Guangzhou 510275
      P. R. China
;
     'Ungur, Liviu '
;     Division of Quantum and Physical Chemistry, Celestijnenlaan 200F
      Katholieke Universiteit Leuven 
      B-3001, Belgium
;
     'Chibotaru, Liviu F.'
;     Division of Quantum and Physical Chemistry, Celestijnenlaan 200F
      Katholieke Universiteit Leuven 
      B-3001, Belgium
;
     'Leng, Ji-Dong'
;     School of Chemistry and Chemical Engineering
      Sun Yat-Sen University 
      Guangzhou 510275
      P. R. China
;
     'Guo, Fu-Sheng'
;     School of Chemistry and Chemical Engineering
      Sun Yat-Sen University 
      Guangzhou 510275
      P. R. China
;
     'Tong, Ming-Liang'
;     School of Chemistry and Chemical Engineering
      Sun Yat-Sen University 
      Guangzhou 510275
      P. R. China
;

#=====================================
 
 
data_complex1 
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'C52 H48 Dy4 N24 O18' 
_chemical_formula_weight          1947.14 
 
loop_ 
 _atom_type_symbol 
 _atom_type_description 
 _atom_type_scat_dispersion_real 
 _atom_type_scat_dispersion_imag 
 _atom_type_scat_source 
 'C'  'C'   0.0033   0.0016 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'H'  'H'   0.0000   0.0000 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'N'  'N'   0.0061   0.0033 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'O'  'O'   0.0106   0.0060 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Dy'  'Dy'  -0.1892   4.4098 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 
_symmetry_cell_setting            monoclinic 
_symmetry_space_group_name_H-M    P2(1)/n 
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x+1/2, y+1/2, -z+1/2' 
 '-x, -y, -z' 
 'x-1/2, -y-1/2, z-1/2' 
 
_cell_length_a                    12.7886(7) 
_cell_length_b                    10.9248(6) 
_cell_length_c                    23.7340(12) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  104.032(1) 
_cell_angle_gamma                 90.00 
_cell_volume                      3217.0(3) 
_cell_formula_units_Z             2 
_cell_measurement_temperature     293(2) 
_cell_measurement_reflns_used     ? 
_cell_measurement_theta_min       ? 
_cell_measurement_theta_max       ? 
 
_exptl_crystal_description        ? 
_exptl_crystal_colour             ? 
_exptl_crystal_size_max           0.19 
_exptl_crystal_size_mid           0.15 
_exptl_crystal_size_min           0.12 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     2.010 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              1872 
_exptl_absorpt_coefficient_mu     4.680 
_exptl_absorpt_correction_type    multi-scan 
_exptl_absorpt_correction_T_min   0.4700 
_exptl_absorpt_correction_T_max   0.6036 
_exptl_absorpt_process_details    ? 
 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       293(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device_type   ? 
_diffrn_measurement_method        ? 
_diffrn_detector_area_resol_mean  ? 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             20920 
_diffrn_reflns_av_R_equivalents   0.0451 
_diffrn_reflns_av_sigmaI/netI     0.0486 
_diffrn_reflns_limit_h_min        -15 
_diffrn_reflns_limit_h_max        15 
_diffrn_reflns_limit_k_min        -9 
_diffrn_reflns_limit_k_max        13 
_diffrn_reflns_limit_l_min        -29 
_diffrn_reflns_limit_l_max        29 
_diffrn_reflns_theta_min          3.24 
_diffrn_reflns_theta_max          26.00 
_reflns_number_total              6139 
_reflns_number_gt                 5170 
_reflns_threshold_expression      >2sigma(I) 
 
_computing_data_collection        ? 
_computing_cell_refinement        ? 
_computing_data_reduction         ? 
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     ? 
_computing_publication_material   ? 
 
_refine_special_details 
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
; 
 
_refine_ls_structure_factor_coef  Fsqd  
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme       calc  
_refine_ls_weighting_details 
 'calc w=1/[σ²(Fo²)+(0.0346P)²+7.5046P] where P=(Fo²+2Fc²)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     constr 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_number_reflns          6139 
_refine_ls_number_parameters      444 
_refine_ls_number_restraints      27 
_refine_ls_R_factor_all           0.0491 
_refine_ls_R_factor_gt            0.0388 
_refine_ls_wR_factor_ref          0.0884 
_refine_ls_wR_factor_gt           0.0835 
_refine_ls_goodness_of_fit_ref    1.088 
_refine_ls_restrained_S_all       1.116 
_refine_ls_shift/su_max           0.001 
_refine_ls_shift/su_mean          0.000 
 
loop_ 
 _atom_site_label 
 _atom_site_type_symbol 
 _atom_site_fract_x 
 _atom_site_fract_y 
 _atom_site_fract_z 
 _atom_site_U_iso_or_equiv 
 _atom_site_adp_type 
 _atom_site_occupancy 
 _atom_site_symmetry_multiplicity 
 _atom_site_calc_flag 
 _atom_site_refinement_flags 
 _atom_site_disorder_assembly 
 _atom_site_disorder_group 
Dy1 Dy 0.06349(2) 0.41043(3) 0.068554(10) 0.02882(9) Uani 1 1 d . . . 
Dy2 Dy 0.15513(2) 0.38495(3) -0.092837(11) 0.03297(9) Uani 1 1 d . . . 
O1 O 0.0967(3) 0.4970(4) -0.01879(13) 0.0290(8) Uani 1 1 d . . . 
H1O H 0.1420 0.5544 -0.0081 0.035 Uiso 1 1 d R . . 
O2 O 0.0112(3) 0.4996(4) -0.13464(15) 0.0372(10) Uani 1 1 d . . . 
H2O H 0.0184 0.5447 -0.1626 0.045 Uiso 1 1 d R . . 
N1 N 0.0042(4) 0.2615(5) -0.0078(2) 0.0382(12) Uani 1 1 d . . . 
N2 N 0.0305(5) 0.2566(5) -0.0597(2) 0.0406(13) Uani 1 1 d . . . 
N3 N -0.0888(5) 0.1052(5) -0.0585(2) 0.0443(13) Uani 1 1 d . . . 
N4 N -0.0708(4) 0.2345(5) 0.0857(2) 0.0411(13) Uani 1 1 d . . . 
N5 N 0.0654(5) 0.2007(5) -0.1625(2) 0.0458(13) Uani 1 1 d . . . 
N6 N 0.2239(4) 0.3142(5) 0.0521(2) 0.0441(14) Uani 1 1 d . . . 
N7 N 0.2546(4) 0.3086(5) 0.0013(2) 0.0455(14) Uani 1 1 d . . . 
N8 N 0.3639(4) 0.1846(5) 0.0648(2) 0.0422(13) Uani 1 1 d . . . 
N9 N 0.1887(4) 0.2915(5) 0.1567(2) 0.0419(13) Uani 1 1 d . . . 
N10 N 0.3313(4) 0.2501(5) -0.0904(2) 0.0427(13) Uani 1 1 d . . . 
C1 C -0.0662(5) 0.1711(6) -0.0090(3) 0.0391(14) Uani 1 1 d . . . 
C2 C -0.0248(5) 0.1610(6) -0.0883(3) 0.0397(14) Uani 1 1 d . . . 
C3 C -0.1091(5) 0.1523(6) 0.0420(3) 0.0402(14) Uani 1 1 d . . . 
C4 C -0.1830(6) 0.0626(7) 0.0462(3) 0.0540(18) Uani 1 1 d . . . 
H4 H -0.2082 0.0085 0.0157 0.065 Uiso 1 1 calc R . . 
C5 C -0.2194(7) 0.0542(8) 0.0971(4) 0.069(2) Uani 1 1 d . . . 
H5 H -0.2688 -0.0056 0.1010 0.083 Uiso 1 1 calc R . . 
C6 C -0.1807(7) 0.1361(8) 0.1411(3) 0.062(2) Uani 1 1 d . . . 
H6 H -0.2041 0.1332 0.1752 0.074 Uiso 1 1 calc R . . 
C7 C -0.1070(6) 0.2224(7) 0.1339(3) 0.0516(18) Uani 1 1 d . . . 
H7 H -0.0804 0.2760 0.1645 0.062 Uiso 1 1 calc R . . 
C8 C -0.0114(6) 0.1325(6) -0.1460(3) 0.0424(15) Uani 1 1 d . . . 
C9 C -0.0711(7) 0.0433(7) -0.1813(3) 0.058(2) Uani 1 1 d . . . 
H9 H -0.1236 -0.0008 -0.1689 0.070 Uiso 1 1 calc R . . 
C10 C -0.0516(8) 0.0209(8) -0.2347(3) 0.071(3) Uani 1 1 d . . . 
H10 H -0.0904 -0.0385 -0.2592 0.086 Uiso 1 1 calc R . . 
C11 C 0.0262(8) 0.0881(8) -0.2512(3) 0.071(3) Uani 1 1 d . . . 
H11 H 0.0413 0.0738 -0.2870 0.085 Uiso 1 1 calc R . . 
C12 C 0.0821(6) 0.1764(7) -0.2151(3) 0.0546(19) Uani 1 1 d . . . 
H12 H 0.1339 0.2215 -0.2276 0.065 Uiso 1 1 calc R . . 
C13 C 0.2906(5) 0.2398(6) 0.0886(2) 0.0392(14) Uani 1 1 d . . . 
C14 C 0.3371(5) 0.2318(6) 0.0104(3) 0.0398(14) Uani 1 1 d . . . 
C15 C 0.2752(5) 0.2275(6) 0.1481(3) 0.0435(16) Uani 1 1 d . . . 
C16 C 0.3437(6) 0.1624(8) 0.1912(3) 0.059(2) Uani 1 1 d . . . 
H16 H 0.4010 0.1190 0.1833 0.070 Uiso 1 1 calc R . . 
C17 C 0.3264(7) 0.1621(9) 0.2470(3) 0.071(3) Uani 1 1 d . . . 
H17 H 0.3711 0.1178 0.2769 0.085 Uiso 1 1 calc R . . 
C18 C 0.2405(7) 0.2299(8) 0.2568(3) 0.063(2) Uani 1 1 d . . . 
H18 H 0.2277 0.2344 0.2937 0.075 Uiso 1 1 calc R . . 
C19 C 0.1750(6) 0.2900(8) 0.2109(3) 0.0557(19) Uani 1 1 d . . . 
H19 H 0.1167 0.3331 0.2179 0.067 Uiso 1 1 calc R . . 
C20 C 0.3871(5) 0.2064(6) -0.0376(3) 0.0405(14) Uani 1 1 d . . . 
C21 C 0.4853(6) 0.1458(7) -0.0304(3) 0.0543(18) Uani 1 1 d . . . 
H21 H 0.5226 0.1195 0.0063 0.065 Uiso 1 1 calc R . . 
C22 C 0.5267(7) 0.1252(8) -0.0781(4) 0.068(2) Uani 1 1 d . . . 
H22 H 0.5917 0.0841 -0.0744 0.082 Uiso 1 1 calc R . . 
C23 C 0.4693(6) 0.1669(7) -0.1312(3) 0.059(2) Uani 1 1 d . . . 
H23 H 0.4945 0.1529 -0.1643 0.071 Uiso 1 1 calc R . . 
C24 C 0.3740(6) 0.2298(7) -0.1353(3) 0.0504(17) Uani 1 1 d . . . 
H24 H 0.3378 0.2596 -0.1715 0.060 Uiso 1 1 calc R . . 
N11 N 0.2787(5) 0.6009(6) 0.0935(2) 0.0510(16) Uani 1 1 d . . . 
O3 O 0.1948(4) 0.5661(4) 0.10709(18) 0.0481(12) Uani 1 1 d . . . 
O4 O 0.3604(5) 0.6135(8) 0.1320(3) 0.104(2) Uani 1 1 d U . . 
O5 O 0.2768(4) 0.6272(5) 0.04243(19) 0.0575(14) Uani 1 1 d . . . 
N12 N 0.1582(5) 0.4925(7) -0.2265(2) 0.0640(18) Uani 1 1 d DU . . 
O6 O 0.1995(4) 0.4354(5) -0.18188(18) 0.0571(13) Uani 1 1 d D . . 
O7 O 0.2160(7) 0.5216(12) -0.2579(4) 0.177(4) Uani 1 1 d DU . . 
O8 O 0.0618(5) 0.5164(8) -0.2416(2) 0.097(2) Uani 1 1 d D . . 
O9 O 0.2942(4) 0.5377(5) -0.06494(19) 0.0525(12) Uani 1 1 d D . . 
H9O H 0.2799 0.5817 -0.0382 0.063 Uiso 1 1 d R . . 
C25 C 0.3687(7) 0.6013(11) -0.0928(4) 0.099(4) Uani 1 1 d D . . 
H25A H 0.3730 0.6868 -0.0814 0.119 Uiso 1 1 calc R . . 
H25B H 0.3416 0.5975 -0.1346 0.119 Uiso 1 1 calc R . . 
C26 C 0.4767(9) 0.5465(14) -0.0764(6) 0.154(6) Uani 1 1 d D . . 
H26A H 0.5188 0.5756 -0.1021 0.231 Uiso 1 1 calc R . . 
H26B H 0.4707 0.4590 -0.0793 0.231 Uiso 1 1 calc R . . 
H26C H 0.5113 0.5690 -0.0373 0.231 Uiso 1 1 calc RD . . 
 
 
_geom_special_details 
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
; 
 
loop_ 
 _geom_bond_atom_site_label_1 
 _geom_bond_atom_site_label_2 
 _geom_bond_distance 
 _geom_bond_site_symmetry_2 
 _geom_bond_publ_flag 
Dy1 O2 2.251(4) 3_565 ? 
Dy1 O1 2.332(3) 3_565 ? 
Dy1 O1 2.408(3) . ? 
Dy1 O3 2.409(4) . ? 
Dy1 N1 2.416(5) . ? 
Dy1 N6 2.420(5) . ? 
Dy1 N9 2.646(5) . ? 
Dy1 N4 2.674(5) . ? 
Dy1 Dy2 3.7319(4) 3_565 ? 
Dy1 Dy1 3.8071(5) 3_565 ? 
Dy2 O2 2.248(4) . ? 
Dy2 O6 2.382(4) . ? 
Dy2 N2 2.394(5) . ? 
Dy2 O1 2.405(3) . ? 
Dy2 O9 2.411(4) . ? 
Dy2 N7 2.434(5) . ? 
Dy2 N10 2.680(5) . ? 
Dy2 N5 2.680(6) . ? 
Dy2 Dy1 3.7319(4) 3_565 ? 
O1 Dy1 2.332(3) 3_565 ? 
O1 H1O 0.8499 . ? 
O2 Dy1 2.251(4) 3_565 ? 
O2 H2O 0.8501 . ? 
N1 C1 1.332(8) . ? 
N1 N2 1.356(6) . ? 
N2 C2 1.349(8) . ? 
N3 C1 1.349(8) . ? 
N3 C2 1.350(8) . ? 
N4 C7 1.340(8) . ? 
N4 C3 1.370(8) . ? 
N5 C12 1.342(8) . ? 
N5 C8 1.364(8) . ? 
N6 C13 1.334(7) . ? 
N6 N7 1.357(7) . ? 
N7 C14 1.324(8) . ? 
N8 C13 1.348(8) . ? 
N8 C14 1.355(7) . ? 
N9 C19 1.341(8) . ? 
N9 C15 1.365(8) . ? 
N10 C24 1.330(8) . ? 
N10 C20 1.370(8) . ? 
C1 C3 1.459(9) . ? 
C2 C8 1.453(8) . ? 
C3 C4 1.383(9) . ? 
C4 C5 1.397(10) . ? 
C4 H4 0.9300 . ? 
C5 C6 1.373(11) . ? 
C5 H5 0.9300 . ? 
C6 C7 1.373(10) . ? 
C6 H6 0.9300 . ? 
C7 H7 0.9300 . ? 
C8 C9 1.388(9) . ? 
C9 C10 1.372(10) . ? 
C9 H9 0.9300 . ? 
C10 C11 1.368(12) . ? 
C10 H10 0.9300 . ? 
C11 C12 1.370(11) . ? 
C11 H11 0.9300 . ? 
C12 H12 0.9300 . ? 
C13 C15 1.479(8) . ? 
C14 C20 1.461(8) . ? 
C15 C16 1.374(9) . ? 
C16 C17 1.395(11) . ? 
C16 H16 0.9300 . ? 
C17 C18 1.391(12) . ? 
C17 H17 0.9300 . ? 
C18 C19 1.370(9) . ? 
C18 H18 0.9300 . ? 
C19 H19 0.9300 . ? 
C20 C21 1.392(9) . ? 
C21 C22 1.380(10) . ? 
C21 H21 0.9300 . ? 
C22 C23 1.374(11) . ? 
C22 H22 0.9300 . ? 
C23 C24 1.382(10) . ? 
C23 H23 0.9300 . ? 
C24 H24 0.9300 . ? 
N11 O4 1.217(8) . ? 
N11 O5 1.240(7) . ? 
N11 O3 1.252(7) . ? 
N12 O7 1.213(7) . ? 
N12 O8 1.225(6) . ? 
N12 O6 1.232(6) . ? 
O9 C25 1.460(7) . ? 
O9 H9O 0.8500 . ? 
C25 C26 1.469(9) . ? 
C25 H25A 0.9700 . ? 
C25 H25B 0.9700 . ? 
C26 H26A 0.9600 . ? 
C26 H26B 0.9600 . ? 
C26 H26C 0.9600 . ? 
 
loop_ 
 _geom_angle_atom_site_label_1 
 _geom_angle_atom_site_label_2 
 _geom_angle_atom_site_label_3 
 _geom_angle 
 _geom_angle_site_symmetry_1 
 _geom_angle_site_symmetry_3 
 _geom_angle_publ_flag 
O2 Dy1 O1 72.21(12) 3_565 3_565 ? 
O2 Dy1 O1 128.43(14) 3_565 . ? 
O1 Dy1 O1 73.14(13) 3_565 . ? 
O2 Dy1 O3 78.57(15) 3_565 . ? 
O1 Dy1 O3 109.38(15) 3_565 . ? 
O1 Dy1 O3 78.32(13) . . ? 
O2 Dy1 N1 135.04(16) 3_565 . ? 
O1 Dy1 N1 80.50(16) 3_565 . ? 
O1 Dy1 N1 73.00(14) . . ? 
O3 Dy1 N1 145.39(16) . . ? 
O2 Dy1 N6 145.27(15) 3_565 . ? 
O1 Dy1 N6 141.40(13) 3_565 . ? 
O1 Dy1 N6 72.46(14) . . ? 
O3 Dy1 N6 80.07(19) . . ? 
N1 Dy1 N6 73.18(19) . . ? 
O2 Dy1 N9 86.62(15) 3_565 . ? 
O1 Dy1 N9 154.40(14) 3_565 . ? 
O1 Dy1 N9 132.40(14) . . ? 
O3 Dy1 N9 79.28(16) . . ? 
N1 Dy1 N9 106.37(17) . . ? 
N6 Dy1 N9 62.62(16) . . ? 
O2 Dy1 N4 79.10(15) 3_565 . ? 
O1 Dy1 N4 82.60(15) 3_565 . ? 
O1 Dy1 N4 131.85(13) . . ? 
O3 Dy1 N4 149.77(14) . . ? 
N1 Dy1 N4 62.21(16) . . ? 
N6 Dy1 N4 108.26(18) . . ? 
N9 Dy1 N4 79.31(16) . . ? 
O2 Dy1 Dy2 33.93(9) 3_565 3_565 ? 
O1 Dy1 Dy2 38.71(8) 3_565 3_565 ? 
O1 Dy1 Dy2 101.10(9) . 3_565 ? 
O3 Dy1 Dy2 89.88(12) . 3_565 ? 
N1 Dy1 Dy2 114.12(13) . 3_565 ? 
N6 Dy1 Dy2 168.93(14) . 3_565 ? 
N9 Dy1 Dy2 120.28(12) . 3_565 ? 
N4 Dy1 Dy2 82.77(12) . 3_565 ? 
O2 Dy1 Dy1 101.89(10) 3_565 3_565 ? 
O1 Dy1 Dy1 37.25(8) 3_565 3_565 ? 
O1 Dy1 Dy1 35.89(8) . 3_565 ? 
O3 Dy1 Dy1 94.31(11) . 3_565 ? 
N1 Dy1 Dy1 73.38(12) . 3_565 ? 
N6 Dy1 Dy1 106.74(11) . 3_565 ? 
N9 Dy1 Dy1 168.23(11) . 3_565 ? 
N4 Dy1 Dy1 110.06(11) . 3_565 ? 
Dy2 Dy1 Dy1 69.134(9) 3_565 3_565 ? 
O2 Dy2 O6 79.94(15) . . ? 
O2 Dy2 N2 86.13(17) . . ? 
O6 Dy2 N2 138.37(17) . . ? 
O2 Dy2 O1 70.88(12) . . ? 
O6 Dy2 O1 135.55(16) . . ? 
N2 Dy2 O1 73.07(15) . . ? 
O2 Dy2 O9 101.89(17) . . ? 
O6 Dy2 O9 76.41(17) . . ? 
N2 Dy2 O9 145.15(15) . . ? 
O1 Dy2 O9 77.67(14) . . ? 
O2 Dy2 N7 141.76(15) . . ? 
O6 Dy2 N7 135.19(17) . . ? 
N2 Dy2 N7 74.90(18) . . ? 
O1 Dy2 N7 71.92(15) . . ? 
O9 Dy2 N7 78.37(18) . . ? 
O2 Dy2 N10 155.45(14) . . ? 
O6 Dy2 N10 76.50(16) . . ? 
N2 Dy2 N10 107.07(18) . . ? 
O1 Dy2 N10 132.25(13) . . ? 
O9 Dy2 N10 79.29(17) . . ? 
N7 Dy2 N10 62.76(16) . . ? 
O2 Dy2 N5 87.93(16) . . ? 
O6 Dy2 N5 77.57(18) . . ? 
N2 Dy2 N5 62.80(16) . . ? 
O1 Dy2 N5 132.12(15) . . ? 
O9 Dy2 N5 150.01(16) . . ? 
N7 Dy2 N5 111.07(18) . . ? 
N10 Dy2 N5 80.38(16) . . ? 
O2 Dy2 Dy1 33.97(9) . 3_565 ? 
O6 Dy2 Dy1 110.32(12) . 3_565 ? 
N2 Dy2 Dy1 73.57(13) . 3_565 ? 
O1 Dy2 Dy1 37.33(8) . 3_565 ? 
O9 Dy2 Dy1 94.21(12) . 3_565 ? 
N7 Dy2 Dy1 107.92(13) . 3_565 ? 
N10 Dy2 Dy1 169.41(11) . 3_565 ? 
N5 Dy2 Dy1 108.68(12) . 3_565 ? 
Dy1 O1 Dy2 103.96(12) 3_565 . ? 
Dy1 O1 Dy1 106.86(13) 3_565 . ? 
Dy2 O1 Dy1 125.45(17) . . ? 
Dy1 O1 H1O 106.4 3_565 . ? 
Dy2 O1 H1O 106.4 . . ? 
Dy1 O1 H1O 106.4 . . ? 
Dy2 O2 Dy1 112.09(14) . 3_565 ? 
Dy2 O2 H2O 115.9 . . ? 
Dy1 O2 H2O 115.9 3_565 . ? 
C1 N1 N2 105.4(5) . . ? 
C1 N1 Dy1 127.1(4) . . ? 
N2 N1 Dy1 127.4(4) . . ? 
C2 N2 N1 105.8(5) . . ? 
C2 N2 Dy2 126.8(4) . . ? 
N1 N2 Dy2 127.4(4) . . ? 
C1 N3 C2 100.8(5) . . ? 
C7 N4 C3 116.7(6) . . ? 
C7 N4 Dy1 124.6(4) . . ? 
C3 N4 Dy1 118.7(4) . . ? 
C12 N5 C8 116.6(6) . . ? 
C12 N5 Dy2 125.5(5) . . ? 
C8 N5 Dy2 117.6(4) . . ? 
C13 N6 N7 105.8(5) . . ? 
C13 N6 Dy1 126.5(4) . . ? 
N7 N6 Dy1 127.0(4) . . ? 
C14 N7 N6 105.9(5) . . ? 
C14 N7 Dy2 125.8(4) . . ? 
N6 N7 Dy2 126.9(4) . . ? 
C13 N8 C14 100.8(5) . . ? 
C19 N9 C15 115.9(5) . . ? 
C19 N9 Dy1 124.8(5) . . ? 
C15 N9 Dy1 119.3(4) . . ? 
C24 N10 C20 116.8(6) . . ? 
C24 N10 Dy2 125.5(5) . . ? 
C20 N10 Dy2 117.5(4) . . ? 
N1 C1 N3 114.6(5) . . ? 
N1 C1 C3 118.3(5) . . ? 
N3 C1 C3 127.1(6) . . ? 
N2 C2 N3 113.4(5) . . ? 
N2 C2 C8 118.2(6) . . ? 
N3 C2 C8 128.4(6) . . ? 
N4 C3 C4 122.3(6) . . ? 
N4 C3 C1 113.5(5) . . ? 
C4 C3 C1 124.2(6) . . ? 
C3 C4 C5 119.1(7) . . ? 
C3 C4 H4 120.5 . . ? 
C5 C4 H4 120.5 . . ? 
C6 C5 C4 118.7(7) . . ? 
C6 C5 H5 120.6 . . ? 
C4 C5 H5 120.6 . . ? 
C7 C6 C5 119.0(7) . . ? 
C7 C6 H6 120.5 . . ? 
C5 C6 H6 120.5 . . ? 
N4 C7 C6 124.2(7) . . ? 
N4 C7 H7 117.9 . . ? 
C6 C7 H7 117.9 . . ? 
N5 C8 C9 122.6(6) . . ? 
N5 C8 C2 114.3(6) . . ? 
C9 C8 C2 123.1(6) . . ? 
C10 C9 C8 119.1(7) . . ? 
C10 C9 H9 120.4 . . ? 
C8 C9 H9 120.4 . . ? 
C11 C10 C9 118.4(7) . . ? 
C11 C10 H10 120.8 . . ? 
C9 C10 H10 120.8 . . ? 
C10 C11 C12 120.3(7) . . ? 
C10 C11 H11 119.9 . . ? 
C12 C11 H11 119.9 . . ? 
N5 C12 C11 122.9(7) . . ? 
N5 C12 H12 118.5 . . ? 
C11 C12 H12 118.5 . . ? 
N6 C13 N8 113.7(5) . . ? 
N6 C13 C15 117.5(6) . . ? 
N8 C13 C15 128.8(5) . . ? 
N7 C14 N8 113.9(6) . . ? 
N7 C14 C20 118.4(5) . . ? 
N8 C14 C20 127.7(6) . . ? 
N9 C15 C16 123.1(6) . . ? 
N9 C15 C13 113.4(5) . . ? 
C16 C15 C13 123.4(7) . . ? 
C15 C16 C17 119.3(8) . . ? 
C15 C16 H16 120.3 . . ? 
C17 C16 H16 120.3 . . ? 
C18 C17 C16 118.1(7) . . ? 
C18 C17 H17 121.0 . . ? 
C16 C17 H17 121.0 . . ? 
C19 C18 C17 118.6(7) . . ? 
C19 C18 H18 120.7 . . ? 
C17 C18 H18 120.7 . . ? 
N9 C19 C18 124.9(8) . . ? 
N9 C19 H19 117.5 . . ? 
C18 C19 H19 117.5 . . ? 
N10 C20 C21 122.2(6) . . ? 
N10 C20 C14 114.6(6) . . ? 
C21 C20 C14 123.2(6) . . ? 
C22 C21 C20 119.4(7) . . ? 
C22 C21 H21 120.3 . . ? 
C20 C21 H21 120.3 . . ? 
C23 C22 C21 118.2(7) . . ? 
C23 C22 H22 120.9 . . ? 
C21 C22 H22 120.9 . . ? 
C22 C23 C24 119.7(7) . . ? 
C22 C23 H23 120.2 . . ? 
C24 C23 H23 120.2 . . ? 
N10 C24 C23 123.6(7) . . ? 
N10 C24 H24 118.2 . . ? 
C23 C24 H24 118.2 . . ? 
O4 N11 O5 121.2(6) . . ? 
O4 N11 O3 118.3(6) . . ? 
O5 N11 O3 120.4(5) . . ? 
N11 O3 Dy1 132.7(4) . . ? 
O7 N12 O8 118.9(7) . . ? 
O7 N12 O6 117.5(7) . . ? 
O8 N12 O6 123.5(6) . . ? 
N12 O6 Dy2 137.2(4) . . ? 
C25 O9 Dy2 136.4(5) . . ? 
C25 O9 H9O 110.4 . . ? 
Dy2 O9 H9O 108.6 . . ? 
O9 C25 C26 111.2(9) . . ? 
O9 C25 H25A 109.4 . . ? 
C26 C25 H25A 109.4 . . ? 
O9 C25 H25B 109.4 . . ? 
C26 C25 H25B 109.4 . . ? 
H25A C25 H25B 108.0 . . ? 
C25 C26 H26A 109.5 . . ? 
C25 C26 H26B 109.5 . . ? 
H26A C26 H26B 109.5 . . ? 
C25 C26 H26C 109.5 . . ? 
H26A C26 H26C 109.5 . . ? 
H26B C26 H26C 109.5 . . ? 
 
loop_ 
 _geom_torsion_atom_site_label_1 
 _geom_torsion_atom_site_label_2 
 _geom_torsion_atom_site_label_3 
 _geom_torsion_atom_site_label_4 
 _geom_torsion 
 _geom_torsion_site_symmetry_1 
 _geom_torsion_site_symmetry_2 
 _geom_torsion_site_symmetry_3 
 _geom_torsion_site_symmetry_4 
 _geom_torsion_publ_flag 
O2 Dy2 O1 Dy1 6.85(14) . . . 3_565 ? 
O6 Dy2 O1 Dy1 58.7(3) . . . 3_565 ? 
N2 Dy2 O1 Dy1 -84.92(17) . . . 3_565 ? 
O9 Dy2 O1 Dy1 114.24(18) . . . 3_565 ? 
N7 Dy2 O1 Dy1 -164.1(2) . . . 3_565 ? 
N10 Dy2 O1 Dy1 177.14(16) . . . 3_565 ? 
N5 Dy2 O1 Dy1 -61.7(2) . . . 3_565 ? 
O2 Dy2 O1 Dy1 129.8(2) . . . . ? 
O6 Dy2 O1 Dy1 -178.33(19) . . . . ? 
N2 Dy2 O1 Dy1 38.02(19) . . . . ? 
O9 Dy2 O1 Dy1 -122.8(2) . . . . ? 
N7 Dy2 O1 Dy1 -41.2(2) . . . . ? 
N10 Dy2 O1 Dy1 -59.9(3) . . . . ? 
N5 Dy2 O1 Dy1 61.2(3) . . . . ? 
Dy1 Dy2 O1 Dy1 122.9(2) 3_565 . . . ? 
O2 Dy1 O1 Dy1 -49.6(2) 3_565 . . 3_565 ? 
O1 Dy1 O1 Dy1 0.0 3_565 . . 3_565 ? 
O3 Dy1 O1 Dy1 -114.63(18) . . . 3_565 ? 
N1 Dy1 O1 Dy1 84.97(18) . . . 3_565 ? 
N6 Dy1 O1 Dy1 162.2(2) . . . 3_565 ? 
N9 Dy1 O1 Dy1 -178.14(17) . . . 3_565 ? 
N4 Dy1 O1 Dy1 63.1(2) . . . 3_565 ? 
Dy2 Dy1 O1 Dy1 -27.08(14) 3_565 . . 3_565 ? 
O2 Dy1 O1 Dy2 -171.29(15) 3_565 . . . ? 
O1 Dy1 O1 Dy2 -121.7(2) 3_565 . . . ? 
O3 Dy1 O1 Dy2 123.7(2) . . . . ? 
N1 Dy1 O1 Dy2 -36.7(2) . . . . ? 
N6 Dy1 O1 Dy2 40.5(2) . . . . ? 
N9 Dy1 O1 Dy2 60.2(3) . . . . ? 
N4 Dy1 O1 Dy2 -58.6(3) . . . . ? 
Dy2 Dy1 O1 Dy2 -148.76(15) 3_565 . . . ? 
Dy1 Dy1 O1 Dy2 -121.7(2) 3_565 . . . ? 
O6 Dy2 O2 Dy1 -153.4(2) . . . 3_565 ? 
N2 Dy2 O2 Dy1 65.98(19) . . . 3_565 ? 
O1 Dy2 O2 Dy1 -7.43(15) . . . 3_565 ? 
O9 Dy2 O2 Dy1 -79.74(19) . . . 3_565 ? 
N7 Dy2 O2 Dy1 6.5(4) . . . 3_565 ? 
N10 Dy2 O2 Dy1 -170.0(3) . . . 3_565 ? 
N5 Dy2 O2 Dy1 128.9(2) . . . 3_565 ? 
O2 Dy1 N1 C1 -30.3(6) 3_565 . . . ? 
O1 Dy1 N1 C1 -83.0(5) 3_565 . . . ? 
O1 Dy1 N1 C1 -158.2(6) . . . . ? 
O3 Dy1 N1 C1 166.5(5) . . . . ? 
N6 Dy1 N1 C1 125.5(6) . . . . ? 
N9 Dy1 N1 C1 71.7(6) . . . . ? 
N4 Dy1 N1 C1 3.6(5) . . . . ? 
Dy2 Dy1 N1 C1 -63.4(6) 3_565 . . . ? 
Dy1 Dy1 N1 C1 -120.6(6) 3_565 . . . ? 
O2 Dy1 N1 N2 145.5(4) 3_565 . . . ? 
O1 Dy1 N1 N2 92.8(5) 3_565 . . . ? 
O1 Dy1 N1 N2 17.6(5) . . . . ? 
O3 Dy1 N1 N2 -17.7(7) . . . . ? 
N6 Dy1 N1 N2 -58.7(5) . . . . ? 
N9 Dy1 N1 N2 -112.6(5) . . . . ? 
N4 Dy1 N1 N2 179.4(6) . . . . ? 
Dy2 Dy1 N1 N2 112.4(5) 3_565 . . . ? 
Dy1 Dy1 N1 N2 55.2(5) 3_565 . . . ? 
C1 N1 N2 C2 -1.2(7) . . . . ? 
Dy1 N1 N2 C2 -177.7(4) . . . . ? 
C1 N1 N2 Dy2 -178.8(4) . . . . ? 
Dy1 N1 N2 Dy2 4.6(7) . . . . ? 
O2 Dy2 N2 C2 88.3(5) . . . . ? 
O6 Dy2 N2 C2 18.1(7) . . . . ? 
O1 Dy2 N2 C2 159.5(6) . . . . ? 
O9 Dy2 N2 C2 -166.4(5) . . . . ? 
N7 Dy2 N2 C2 -125.2(6) . . . . ? 
N10 Dy2 N2 C2 -70.6(5) . . . . ? 
N5 Dy2 N2 C2 -1.4(5) . . . . ? 
Dy1 Dy2 N2 C2 120.4(5) 3_565 . . . ? 
O2 Dy2 N2 N1 -94.6(5) . . . . ? 
O6 Dy2 N2 N1 -164.7(4) . . . . ? 
O1 Dy2 N2 N1 -23.4(5) . . . . ? 
O9 Dy2 N2 N1 10.8(7) . . . . ? 
N7 Dy2 N2 N1 51.9(5) . . . . ? 
N10 Dy2 N2 N1 106.5(5) . . . . ? 
N5 Dy2 N2 N1 175.8(6) . . . . ? 
Dy1 Dy2 N2 N1 -62.4(5) 3_565 . . . ? 
O2 Dy1 N4 C7 -24.2(5) 3_565 . . . ? 
O1 Dy1 N4 C7 -97.5(5) 3_565 . . . ? 
O1 Dy1 N4 C7 -156.9(5) . . . . ? 
O3 Dy1 N4 C7 18.8(7) . . . . ? 
N1 Dy1 N4 C7 179.4(6) . . . . ? 
N6 Dy1 N4 C7 120.6(5) . . . . ? 
N9 Dy1 N4 C7 64.4(5) . . . . ? 
Dy2 Dy1 N4 C7 -58.4(5) 3_565 . . . ? 
Dy1 Dy1 N4 C7 -123.0(5) 3_565 . . . ? 
O2 Dy1 N4 C3 153.5(5) 3_565 . . . ? 
O1 Dy1 N4 C3 80.3(5) 3_565 . . . ? 
O1 Dy1 N4 C3 20.9(5) . . . . ? 
O3 Dy1 N4 C3 -163.5(4) . . . . ? 
N1 Dy1 N4 C3 -2.8(4) . . . . ? 
N6 Dy1 N4 C3 -61.6(5) . . . . ? 
N9 Dy1 N4 C3 -117.9(5) . . . . ? 
Dy2 Dy1 N4 C3 119.3(5) 3_565 . . . ? 
Dy1 Dy1 N4 C3 54.7(5) 3_565 . . . ? 
O2 Dy2 N5 C12 91.3(6) . . . . ? 
O6 Dy2 N5 C12 11.2(6) . . . . ? 
N2 Dy2 N5 C12 178.0(6) . . . . ? 
O1 Dy2 N5 C12 153.0(5) . . . . ? 
O9 Dy2 N5 C12 -19.1(8) . . . . ? 
N7 Dy2 N5 C12 -122.7(6) . . . . ? 
N10 Dy2 N5 C12 -67.0(6) . . . . ? 
Dy1 Dy2 N5 C12 118.7(6) 3_565 . . . ? 
O2 Dy2 N5 C8 -82.2(5) . . . . ? 
O6 Dy2 N5 C8 -162.3(5) . . . . ? 
N2 Dy2 N5 C8 4.6(4) . . . . ? 
O1 Dy2 N5 C8 -20.5(5) . . . . ? 
O9 Dy2 N5 C8 167.4(4) . . . . ? 
N7 Dy2 N5 C8 63.8(5) . . . . ? 
N10 Dy2 N5 C8 119.5(5) . . . . ? 
Dy1 Dy2 N5 C8 -54.8(5) 3_565 . . . ? 
O2 Dy1 N6 C13 37.9(7) 3_565 . . . ? 
O1 Dy1 N6 C13 -160.6(5) 3_565 . . . ? 
O1 Dy1 N6 C13 171.4(6) . . . . ? 
O3 Dy1 N6 C13 90.6(6) . . . . ? 
N1 Dy1 N6 C13 -111.6(6) . . . . ? 
N9 Dy1 N6 C13 7.6(5) . . . . ? 
N4 Dy1 N6 C13 -59.4(6) . . . . ? 
Dy2 Dy1 N6 C13 115.7(6) 3_565 . . . ? 
Dy1 Dy1 N6 C13 -177.8(5) 3_565 . . . ? 
O2 Dy1 N6 N7 -153.5(5) 3_565 . . . ? 
O1 Dy1 N6 N7 7.9(7) 3_565 . . . ? 
O1 Dy1 N6 N7 -20.1(5) . . . . ? 
O3 Dy1 N6 N7 -100.8(6) . . . . ? 
N1 Dy1 N6 N7 57.0(5) . . . . ? 
N9 Dy1 N6 N7 176.2(6) . . . . ? 
N4 Dy1 N6 N7 109.2(5) . . . . ? 
Dy2 Dy1 N6 N7 -75.7(9) 3_565 . . . ? 
Dy1 Dy1 N6 N7 -9.3(6) 3_565 . . . ? 
C13 N6 N7 C14 0.0(7) . . . . ? 
Dy1 N6 N7 C14 -170.4(4) . . . . ? 
C13 N6 N7 Dy2 167.3(4) . . . . ? 
Dy1 N6 N7 Dy2 -3.2(8) . . . . ? 
O2 Dy2 N7 C14 175.0(5) . . . . ? 
O6 Dy2 N7 C14 -33.7(7) . . . . ? 
N2 Dy2 N7 C14 112.1(6) . . . . ? 
O1 Dy2 N7 C14 -171.1(6) . . . . ? 
O9 Dy2 N7 C14 -90.5(6) . . . . ? 
N10 Dy2 N7 C14 -6.6(5) . . . . ? 
N5 Dy2 N7 C14 59.8(6) . . . . ? 
Dy1 Dy2 N7 C14 178.8(5) 3_565 . . . ? 
O2 Dy2 N7 N6 10.2(7) . . . . ? 
O6 Dy2 N7 N6 161.5(5) . . . . ? 
N2 Dy2 N7 N6 -52.7(5) . . . . ? 
O1 Dy2 N7 N6 24.1(5) . . . . ? 
O9 Dy2 N7 N6 104.7(6) . . . . ? 
N10 Dy2 N7 N6 -171.4(6) . . . . ? 
N5 Dy2 N7 N6 -105.0(5) . . . . ? 
Dy1 Dy2 N7 N6 14.0(6) 3_565 . . . ? 
O2 Dy1 N9 C19 10.4(6) 3_565 . . . ? 
O1 Dy1 N9 C19 -23.4(8) 3_565 . . . ? 
O1 Dy1 N9 C19 152.5(5) . . . . ? 
O3 Dy1 N9 C19 89.4(6) . . . . ? 
N1 Dy1 N9 C19 -125.8(5) . . . . ? 
N6 Dy1 N9 C19 173.7(6) . . . . ? 
N4 Dy1 N9 C19 -69.2(6) . . . . ? 
Dy2 Dy1 N9 C19 5.9(6) 3_565 . . . ? 
Dy1 Dy1 N9 C19 147.2(5) 3_565 . . . ? 
O2 Dy1 N9 C15 -168.6(5) 3_565 . . . ? 
O1 Dy1 N9 C15 157.7(4) 3_565 . . . ? 
O1 Dy1 N9 C15 -26.4(5) . . . . ? 
O3 Dy1 N9 C15 -89.6(5) . . . . ? 
N1 Dy1 N9 C15 55.3(5) . . . . ? 
N6 Dy1 N9 C15 -5.3(4) . . . . ? 
N4 Dy1 N9 C15 111.9(5) . . . . ? 
Dy2 Dy1 N9 C15 -173.1(4) 3_565 . . . ? 
Dy1 Dy1 N9 C15 -31.8(9) 3_565 . . . ? 
O2 Dy2 N10 C24 3.5(8) . . . . ? 
O6 Dy2 N10 C24 -13.3(5) . . . . ? 
N2 Dy2 N10 C24 123.6(5) . . . . ? 
O1 Dy2 N10 C24 -154.0(5) . . . . ? 
O9 Dy2 N10 C24 -91.7(5) . . . . ? 
N7 Dy2 N10 C24 -174.1(6) . . . . ? 
N5 Dy2 N10 C24 66.1(5) . . . . ? 
Dy1 Dy2 N10 C24 -144.5(5) 3_565 . . . ? 
O2 Dy2 N10 C20 177.9(4) . . . . ? 
O6 Dy2 N10 C20 161.2(5) . . . . ? 
N2 Dy2 N10 C20 -61.9(5) . . . . ? 
O1 Dy2 N10 C20 20.5(5) . . . . ? 
O9 Dy2 N10 C20 82.7(4) . . . . ? 
N7 Dy2 N10 C20 0.4(4) . . . . ? 
N5 Dy2 N10 C20 -119.4(5) . . . . ? 
Dy1 Dy2 N10 C20 29.9(10) 3_565 . . . ? 
N2 N1 C1 N3 0.2(8) . . . . ? 
Dy1 N1 C1 N3 176.7(4) . . . . ? 
N2 N1 C1 C3 179.5(5) . . . . ? 
Dy1 N1 C1 C3 -4.0(9) . . . . ? 
C2 N3 C1 N1 1.0(8) . . . . ? 
C2 N3 C1 C3 -178.3(6) . . . . ? 
N1 N2 C2 N3 2.0(8) . . . . ? 
Dy2 N2 C2 N3 179.6(4) . . . . ? 
N1 N2 C2 C8 -179.4(6) . . . . ? 
Dy2 N2 C2 C8 -1.7(9) . . . . ? 
C1 N3 C2 N2 -1.8(8) . . . . ? 
C1 N3 C2 C8 179.7(7) . . . . ? 
C7 N4 C3 C4 1.3(10) . . . . ? 
Dy1 N4 C3 C4 -176.7(5) . . . . ? 
C7 N4 C3 C1 -179.9(6) . . . . ? 
Dy1 N4 C3 C1 2.2(7) . . . . ? 
N1 C1 C3 N4 0.8(9) . . . . ? 
N3 C1 C3 N4 -180.0(6) . . . . ? 
N1 C1 C3 C4 179.6(7) . . . . ? 
N3 C1 C3 C4 -1.2(11) . . . . ? 
N4 C3 C4 C5 -0.6(11) . . . . ? 
C1 C3 C4 C5 -179.3(7) . . . . ? 
C3 C4 C5 C6 0.3(13) . . . . ? 
C4 C5 C6 C7 -0.7(14) . . . . ? 
C3 N4 C7 C6 -1.7(11) . . . . ? 
Dy1 N4 C7 C6 176.1(6) . . . . ? 
C5 C6 C7 N4 1.4(13) . . . . ? 
C12 N5 C8 C9 -0.8(10) . . . . ? 
Dy2 N5 C8 C9 173.2(6) . . . . ? 
C12 N5 C8 C2 178.9(6) . . . . ? 
Dy2 N5 C8 C2 -7.0(7) . . . . ? 
N2 C2 C8 N5 5.9(9) . . . . ? 
N3 C2 C8 N5 -175.6(7) . . . . ? 
N2 C2 C8 C9 -174.3(7) . . . . ? 
N3 C2 C8 C9 4.1(12) . . . . ? 
N5 C8 C9 C10 1.0(12) . . . . ? 
C2 C8 C9 C10 -178.8(7) . . . . ? 
C8 C9 C10 C11 -0.1(13) . . . . ? 
C9 C10 C11 C12 -0.8(14) . . . . ? 
C8 N5 C12 C11 -0.1(11) . . . . ? 
Dy2 N5 C12 C11 -173.6(6) . . . . ? 
C10 C11 C12 N5 0.9(14) . . . . ? 
N7 N6 C13 N8 -0.2(8) . . . . ? 
Dy1 N6 C13 N8 170.3(4) . . . . ? 
N7 N6 C13 C15 -179.7(6) . . . . ? 
Dy1 N6 C13 C15 -9.2(9) . . . . ? 
C14 N8 C13 N6 0.3(7) . . . . ? 
C14 N8 C13 C15 179.7(7) . . . . ? 
N6 N7 C14 N8 0.1(8) . . . . ? 
Dy2 N7 C14 N8 -167.3(4) . . . . ? 
N6 N7 C14 C20 179.4(6) . . . . ? 
Dy2 N7 C14 C20 12.0(9) . . . . ? 
C13 N8 C14 N7 -0.3(8) . . . . ? 
C13 N8 C14 C20 -179.5(6) . . . . ? 
C19 N9 C15 C16 1.6(10) . . . . ? 
Dy1 N9 C15 C16 -179.4(6) . . . . ? 
C19 N9 C15 C13 -175.8(6) . . . . ? 
Dy1 N9 C15 C13 3.2(7) . . . . ? 
N6 C13 C15 N9 3.1(9) . . . . ? 
N8 C13 C15 N9 -176.3(6) . . . . ? 
N6 C13 C15 C16 -174.3(7) . . . . ? 
N8 C13 C15 C16 6.3(11) . . . . ? 
N9 C15 C16 C17 -1.1(11) . . . . ? 
C13 C15 C16 C17 176.1(7) . . . . ? 
C15 C16 C17 C18 -0.9(12) . . . . ? 
C16 C17 C18 C19 2.3(13) . . . . ? 
C15 N9 C19 C18 -0.1(11) . . . . ? 
Dy1 N9 C19 C18 -179.1(6) . . . . ? 
C17 C18 C19 N9 -1.8(13) . . . . ? 
C24 N10 C20 C21 1.4(10) . . . . ? 
Dy2 N10 C20 C21 -173.5(5) . . . . ? 
C24 N10 C20 C14 179.6(6) . . . . ? 
Dy2 N10 C20 C14 4.7(7) . . . . ? 
N7 C14 C20 N10 -10.3(9) . . . . ? 
N8 C14 C20 N10 168.9(6) . . . . ? 
N7 C14 C20 C21 167.9(7) . . . . ? 
N8 C14 C20 C21 -13.0(11) . . . . ? 
N10 C20 C21 C22 -2.1(11) . . . . ? 
C14 C20 C21 C22 179.8(7) . . . . ? 
C20 C21 C22 C23 0.7(12) . . . . ? 
C21 C22 C23 C24 1.3(13) . . . . ? 
C20 N10 C24 C23 0.7(10) . . . . ? 
Dy2 N10 C24 C23 175.2(6) . . . . ? 
C22 C23 C24 N10 -2.1(12) . . . . ? 
O4 N11 O3 Dy1 -132.3(7) . . . . ? 
O5 N11 O3 Dy1 51.1(9) . . . . ? 
O2 Dy1 O3 N11 -174.4(6) 3_565 . . . ? 
O1 Dy1 O3 N11 -108.1(6) 3_565 . . . ? 
O1 Dy1 O3 N11 -40.8(6) . . . . ? 
N1 Dy1 O3 N11 -6.4(7) . . . . ? 
N6 Dy1 O3 N11 33.1(6) . . . . ? 
N9 Dy1 O3 N11 96.9(6) . . . . ? 
N4 Dy1 O3 N11 142.5(5) . . . . ? 
Dy2 Dy1 O3 N11 -142.2(6) 3_565 . . . ? 
Dy1 Dy1 O3 N11 -73.1(6) 3_565 . . . ? 
O7 N12 O6 Dy2 164.0(9) . . . . ? 
O8 N12 O6 Dy2 -19.2(13) . . . . ? 
O2 Dy2 O6 N12 -2.0(7) . . . . ? 
N2 Dy2 O6 N12 70.4(8) . . . . ? 
O1 Dy2 O6 N12 -51.0(8) . . . . ? 
O9 Dy2 O6 N12 -106.9(8) . . . . ? 
N7 Dy2 O6 N12 -164.4(7) . . . . ? 
N10 Dy2 O6 N12 171.0(8) . . . . ? 
N5 Dy2 O6 N12 88.1(8) . . . . ? 
Dy1 Dy2 O6 N12 -17.4(8) 3_565 . . . ? 
O2 Dy2 O9 C25 -84.9(8) . . . . ? 
O6 Dy2 O9 C25 -8.4(8) . . . . ? 
N2 Dy2 O9 C25 174.7(7) . . . . ? 
O1 Dy2 O9 C25 -152.0(8) . . . . ? 
N7 Dy2 O9 C25 134.2(8) . . . . ? 
N10 Dy2 O9 C25 70.1(8) . . . . ? 
N5 Dy2 O9 C25 22.0(9) . . . . ? 
Dy1 Dy2 O9 C25 -118.3(8) 3_565 . . . ? 
Dy2 O9 C25 C26 -100.1(10) . . . . ? 
 
loop_ 
 _geom_hbond_atom_site_label_D 
 _geom_hbond_atom_site_label_H 
 _geom_hbond_atom_site_label_A 
 _geom_hbond_distance_DH 
 _geom_hbond_distance_HA 
 _geom_hbond_distance_DA 
 _geom_hbond_angle_DHA 
 _geom_hbond_site_symmetry_A 
O1 H1O O5  0.85 2.01 2.796(6) 153.4 . 
O2 H2O O8  0.85 2.10 2.775(6) 135.5 . 
O9 H9O O5  0.85 1.99 2.788(6) 156.6 . 
 
_diffrn_measured_fraction_theta_max    0.970 
_diffrn_reflns_theta_full              26.00 
_diffrn_measured_fraction_theta_full   0.970 
_refine_diff_density_max    1.515 
_refine_diff_density_min   -1.009 
_refine_diff_density_rms    0.148 


#_eof
#End of Crystallographic Information File
 






   
