#------------------------------------------------------------------------------
#$Date: 2017-05-06 01:07:14 +0300 (Sat, 06 May 2017) $
#$Revision: 196432 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/24/7042476.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7042476
loop_
_publ_author_name
'Peng, Yan'
'Mereacre, Valeriu'
'Anson, Christopher E.'
'Powell, Annie K.'
_publ_section_title
;
 The role of coordinated solvent on Co(ii) ions in tuning the single
 molecule magnet properties in a {CoDy} system.
;
_journal_issue                   16
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5337
_journal_page_last               5343
_journal_paper_doi               10.1039/c7dt00548b
_journal_volume                  46
_journal_year                    2017
_chemical_formula_moiety         'C58 H52 Dy2 N6 O20 Zn2, 2(C H2 Cl2)'
_chemical_formula_sum            'C60 H56 Cl4 Dy2 N6 O20 Zn2'
_chemical_formula_weight         1778.64
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     'dual-space direct methods'
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-11-25 deposited with the CCDC.
2017-03-14 downloaded from the CCDC.
;
_cell_angle_alpha                100.366(2)
_cell_angle_beta                 91.738(2)
_cell_angle_gamma                97.091(2)
_cell_formula_units_Z            1
_cell_length_a                   10.5972(3)
_cell_length_b                   11.1817(3)
_cell_length_c                   13.6846(4)
_cell_measurement_reflns_used    16799
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.60
_cell_measurement_theta_min      2.85
_cell_volume                     1580.59(8)
_computing_cell_refinement
;
CrysAlisPro 1.171.37.34 (Agilent Technologies, 2014)
;
_computing_data_collection
;
CrysAlisPro 1.171.37.34 (Agilent Technologies, 2014)
;
_computing_data_reduction
;
CrysAlisPro 1.171.37.34 (Agilent Technologies, 2014)
;
_computing_molecular_graphics    'Diamond 2.1 (Crystal Impact, 1998)'
_computing_publication_material  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 8.0534
_diffrn_detector_type            'Eos CCD'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.907
_diffrn_measurement_device       'four-circle kappa-geometry diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0317
_diffrn_reflns_av_unetI/netI     0.0309
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.907
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            29062
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.907
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         28.900
_diffrn_reflns_theta_min         2.176
_diffrn_source                   'SuperNova (Mo) Microfocus Source'
_exptl_absorpt_coefficient_mu    3.336
_exptl_absorpt_correction_T_max  0.800
_exptl_absorpt_correction_T_min  0.706
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.37.34 (Agilent Technologies, 2014)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.869
_exptl_crystal_description       block
_exptl_crystal_F_000             878
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.070
_refine_diff_density_max         0.877
_refine_diff_density_min         -0.735
_refine_diff_density_rms         0.099
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     429
_refine_ls_number_reflns         7554
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0297
_refine_ls_R_factor_gt           0.0257
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0184P)²+2.4864P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0535
_refine_ls_wR_factor_ref         0.0549
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7014
_reflns_number_total             7554
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7dt00548b2.cif
_cod_data_source_block           p14403
_cod_depositor_comments
'Adding full bibliography for 7042476--7042478.cif.'
_cod_database_code               7042476
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.690
_shelx_estimated_absorpt_t_max   0.800
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Dy1 Dy 0.42236(2) 0.34647(2) 0.66255(2) 0.01202(4) Uani 1 1 d . .
Zn1 Zn 0.35665(3) 0.46603(3) 0.44819(2) 0.01188(7) Uani 1 1 d . .
O1 O 0.46503(19) 0.26548(18) 0.79022(14) 0.0187(4) Uani 1 1 d . .
C1 C 0.5532(3) 0.2089(2) 0.8242(2) 0.0160(5) Uani 1 1 d . .
C2 C 0.5560(3) 0.1962(3) 0.9258(2) 0.0199(6) Uani 1 1 d . .
O2 O 0.4610(2) 0.2474(2) 0.97800(14) 0.0261(5) Uani 1 1 d . .
C8 C 0.4485(3) 0.2280(3) 1.0779(2) 0.0322(8) Uani 1 1 d . .
H8A H 0.4340 0.1398 1.0781 0.048 Uiso 1 1 calc R U
H8B H 0.3763 0.2665 1.1062 0.048 Uiso 1 1 calc R U
H8C H 0.5267 0.2645 1.1178 0.048 Uiso 1 1 calc R U
C3 C 0.6492(3) 0.1401(3) 0.9654(2) 0.0248(7) Uani 1 1 d . .
H3A H 0.6490 0.1326 1.0334 0.030 Uiso 1 1 calc R U
C4 C 0.7444(3) 0.0940(3) 0.9060(2) 0.0254(7) Uani 1 1 d . .
H4A H 0.8093 0.0569 0.9339 0.030 Uiso 1 1 calc R U
C5 C 0.7427(3) 0.1031(3) 0.8077(2) 0.0214(6) Uani 1 1 d . .
H5A H 0.8067 0.0714 0.7674 0.026 Uiso 1 1 calc R U
C6 C 0.6475(3) 0.1588(2) 0.7646(2) 0.0165(5) Uani 1 1 d . .
C7 C 0.6497(3) 0.1582(2) 0.6591(2) 0.0162(5) Uani 1 1 d . .
H7A H 0.7148 0.1191 0.6251 0.019 Uiso 1 1 calc R U
N1 N 0.5730(2) 0.2049(2) 0.60557(16) 0.0132(4) Uani 1 1 d . .
C9 C 0.5812(2) 0.1827(2) 0.50024(19) 0.0131(5) Uani 1 1 d . .
C10 C 0.6244(3) 0.0781(2) 0.4475(2) 0.0161(5) Uani 1 1 d . .
H10A H 0.6521 0.0191 0.4824 0.019 Uiso 1 1 calc R U
C11 C 0.6274(3) 0.0596(3) 0.3450(2) 0.0194(6) Uani 1 1 d . .
H11A H 0.6579 -0.0113 0.3097 0.023 Uiso 1 1 calc R U
C12 C 0.5854(3) 0.1451(3) 0.2940(2) 0.0176(6) Uani 1 1 d . .
H12A H 0.5877 0.1328 0.2236 0.021 Uiso 1 1 calc R U
C13 C 0.5400(2) 0.2486(2) 0.34527(19) 0.0148(5) Uani 1 1 d . .
H13A H 0.5109 0.3064 0.3097 0.018 Uiso 1 1 calc R U
C14 C 0.5370(2) 0.2683(2) 0.44845(19) 0.0127(5) Uani 1 1 d . .
O3 O 0.49270(17) 0.36992(16) 0.50100(13) 0.0120(4) Uani 1 1 d . .
O4 O 0.30926(17) 0.47548(16) 0.59432(13) 0.0140(4) Uani 1 1 d . .
C15 C 0.2353(2) 0.5496(2) 0.64573(19) 0.0133(5) Uani 1 1 d . .
C16 C 0.2433(2) 0.5644(2) 0.75050(19) 0.0139(5) Uani 1 1 d . .
O5 O 0.33210(18) 0.49936(18) 0.78691(13) 0.0177(4) Uani 1 1 d . .
C22 C 0.3272(3) 0.4882(3) 0.8900(2) 0.0206(6) Uani 1 1 d . .
H22A H 0.3517 0.5689 0.9321 0.031 Uiso 1 1 calc R U
H22B H 0.3861 0.4319 0.9046 0.031 Uiso 1 1 calc R U
H22C H 0.2404 0.4562 0.9035 0.031 Uiso 1 1 calc R U
C17 C 0.1713(3) 0.6397(2) 0.8096(2) 0.0164(5) Uani 1 1 d . .
H17A H 0.1792 0.6488 0.8799 0.020 Uiso 1 1 calc R U
C18 C 0.0864(3) 0.7027(3) 0.7650(2) 0.0209(6) Uani 1 1 d . .
H18A H 0.0356 0.7543 0.8050 0.025 Uiso 1 1 calc R U
C19 C 0.0766(3) 0.6899(3) 0.6635(2) 0.0189(6) Uani 1 1 d . .
H19A H 0.0184 0.7329 0.6339 0.023 Uiso 1 1 calc R U
C20 C 0.1509(2) 0.6147(2) 0.60165(19) 0.0140(5) Uani 1 1 d . .
C21 C 0.1377(3) 0.6132(2) 0.4956(2) 0.0157(5) Uani 1 1 d . .
H21A H 0.0732 0.6557 0.4736 0.019 Uiso 1 1 calc R U
N2 N 0.2049(2) 0.5601(2) 0.42861(16) 0.0127(4) Uani 1 1 d . .
C23 C 0.1862(2) 0.5641(2) 0.32607(19) 0.0131(5) Uani 1 1 d . .
C24 C 0.0770(3) 0.5951(3) 0.2825(2) 0.0175(6) Uani 1 1 d . .
H24A H 0.0087 0.6166 0.3225 0.021 Uiso 1 1 calc R U
C25 C 0.0677(3) 0.5948(3) 0.1815(2) 0.0195(6) Uani 1 1 d . .
H25A H -0.0064 0.6170 0.1523 0.023 Uiso 1 1 calc R U
C26 C 0.1669(3) 0.5620(3) 0.1230(2) 0.0207(6) Uani 1 1 d . .
H26A H 0.1602 0.5613 0.0535 0.025 Uiso 1 1 calc R U
C27 C 0.2756(3) 0.5302(3) 0.1648(2) 0.0173(6) Uani 1 1 d . .
H27A H 0.3423 0.5070 0.1235 0.021 Uiso 1 1 calc R U
C28 C 0.2884(2) 0.5319(2) 0.26661(19) 0.0138(5) Uani 1 1 d . .
O6 O 0.39606(17) 0.50599(17) 0.30965(13) 0.0142(4) Uani 1 1 d . .
O7 O 0.27889(19) 0.18979(18) 0.55078(15) 0.0200(4) Uani 1 1 d . .
O8 O 0.2020(2) 0.2624(2) 0.69282(16) 0.0274(5) Uani 1 1 d . .
N3 N 0.1858(3) 0.1950(3) 0.6082(2) 0.0380(7) Uani 1 1 d . .
O9 O 0.0698(3) 0.1230(5) 0.5766(4) 0.124(2) Uani 1 1 d . .
O10 O 0.24250(19) 0.29150(18) 0.39034(15) 0.0194(4) Uani 1 1 d D .
H10 H 0.246(3) 0.240(3) 0.427(2) 0.023 Uiso 1 1 d D U
C29 C 0.2246(3) 0.2212(3) 0.2916(2) 0.0259(7) Uani 1 1 d . .
H29A H 0.1662 0.1461 0.2917 0.039 Uiso 1 1 calc R U
H29B H 0.1885 0.2696 0.2474 0.039 Uiso 1 1 calc R U
H29C H 0.3067 0.1997 0.2681 0.039 Uiso 1 1 calc R U
Cl1 Cl 0.10353(10) 0.22937(11) 1.00513(7) 0.0515(3) Uani 1 1 d . .
C31 C 0.1595(4) 0.1700(3) 0.8894(3) 0.0403(9) Uani 1 1 d . .
H31A H 0.1196 0.2065 0.8375 0.048 Uiso 1 1 calc R U
H31B H 0.2527 0.1947 0.8908 0.048 Uiso 1 1 calc R U
Cl2 Cl 0.12820(14) 0.01102(10) 0.85730(9) 0.0664(3) Uani 1 1 d . .
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'
Zn Zn 0.2839 1.4301 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
O1 Dy1 O4 148.39(7) . .
O1 Dy1 O6 94.51(7) . 2_666
O4 Dy1 O6 91.43(6) . 2_666
O1 Dy1 O3 142.75(6) . .
O4 Dy1 O3 68.51(6) . .
O6 Dy1 O3 73.84(6) 2_666 .
O1 Dy1 N1 75.10(7) . .
O4 Dy1 N1 136.46(7) . .
O6 Dy1 N1 84.15(7) 2_666 .
O3 Dy1 N1 68.68(6) . .
O1 Dy1 O7 105.82(7) . .
O4 Dy1 O7 82.40(7) . .
O6 Dy1 O7 150.55(6) 2_666 .
O3 Dy1 O7 77.12(6) . .
N1 Dy1 O7 80.86(7) . .
O1 Dy1 O8 81.53(7) . .
O4 Dy1 O8 79.71(7) . .
O6 Dy1 O8 154.07(7) 2_666 .
O3 Dy1 O8 123.59(7) . .
N1 Dy1 O8 118.94(7) . .
O7 Dy1 O8 52.79(7) . .
O1 Dy1 O5 84.07(7) . .
O4 Dy1 O5 65.86(6) . .
O6 Dy1 O5 83.06(6) 2_666 .
O3 Dy1 O5 127.71(6) . .
N1 Dy1 O5 154.54(7) . .
O7 Dy1 O5 119.49(6) . .
O8 Dy1 O5 71.06(7) . .
N2 Zn1 O4 87.46(8) . .
N2 Zn1 O6 81.48(8) . .
O4 Zn1 O6 164.40(7) . .
N2 Zn1 O3 166.39(8) . .
O4 Zn1 O3 79.04(7) . .
O6 Zn1 O3 112.10(7) . .
N2 Zn1 O10 91.51(8) . .
O4 Zn1 O10 96.52(7) . .
O6 Zn1 O10 94.74(7) . .
O3 Zn1 O10 88.36(7) . .
N2 Zn1 O3 98.16(7) . 2_666
O4 Zn1 O3 88.58(7) . 2_666
O6 Zn1 O3 82.18(7) . 2_666
O3 Zn1 O3 83.34(7) . 2_666
O10 Zn1 O3 169.27(7) . 2_666
C1 O1 Dy1 139.73(17) . .
O1 C1 C6 123.2(2) . .
O1 C1 C2 119.3(3) . .
C6 C1 C2 117.5(2) . .
O2 C2 C3 125.3(3) . .
O2 C2 C1 113.5(2) . .
C3 C2 C1 121.2(3) . .
C2 O2 C8 117.2(2) . .
O2 C8 H8A 109.5 . .
O2 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
O2 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C2 C3 C4 120.7(3) . .
C2 C3 H3A 119.7 . .
C4 C3 H3A 119.7 . .
C5 C4 C3 119.3(3) . .
C5 C4 H4A 120.4 . .
C3 C4 H4A 120.4 . .
C4 C5 C6 121.4(3) . .
C4 C5 H5A 119.3 . .
C6 C5 H5A 119.3 . .
C1 C6 C5 119.9(2) . .
C1 C6 C7 122.8(2) . .
C5 C6 C7 117.3(3) . .
N1 C7 C6 127.3(3) . .
N1 C7 H7A 116.4 . .
C6 C7 H7A 116.4 . .
C7 N1 C9 119.0(2) . .
C7 N1 Dy1 127.89(18) . .
C9 N1 Dy1 112.87(16) . .
C10 C9 C14 119.7(2) . .
C10 C9 N1 123.0(2) . .
C14 C9 N1 117.3(2) . .
C11 C10 C9 120.6(2) . .
C11 C10 H10A 119.7 . .
C9 C10 H10A 119.7 . .
C10 C11 C12 119.7(3) . .
C10 C11 H11A 120.2 . .
C12 C11 H11A 120.2 . .
C11 C12 C13 120.4(3) . .
C11 C12 H12A 119.8 . .
C13 C12 H12A 119.8 . .
C12 C13 C14 120.4(2) . .
C12 C13 H13A 119.8 . .
C14 C13 H13A 119.8 . .
O3 C14 C13 121.6(2) . .
O3 C14 C9 119.2(2) . .
C13 C14 C9 119.2(2) . .
C14 O3 Zn1 125.69(15) . .
C14 O3 Zn1 114.92(15) . 2_666
Zn1 O3 Zn1 96.66(7) . 2_666
C14 O3 Dy1 114.36(14) . .
Zn1 O3 Dy1 103.07(7) . .
Zn1 O3 Dy1 97.40(6) 2_666 .
C15 O4 Zn1 128.01(16) . .
C15 O4 Dy1 123.87(15) . .
Zn1 O4 Dy1 107.89(7) . .
O4 C15 C20 123.8(2) . .
O4 C15 C16 118.0(2) . .
C20 C15 C16 118.2(2) . .
C17 C16 O5 124.2(2) . .
C17 C16 C15 122.0(2) . .
O5 C16 C15 113.8(2) . .
C16 O5 C22 117.0(2) . .
C16 O5 Dy1 116.54(15) . .
C22 O5 Dy1 121.67(16) . .
O5 C22 H22A 109.5 . .
O5 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
O5 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C16 C17 C18 119.4(2) . .
C16 C17 H17A 120.3 . .
C18 C17 H17A 120.3 . .
C19 C18 C17 119.8(3) . .
C19 C18 H18A 120.1 . .
C17 C18 H18A 120.1 . .
C18 C19 C20 121.7(3) . .
C18 C19 H19A 119.1 . .
C20 C19 H19A 119.1 . .
C15 C20 C19 118.9(2) . .
C15 C20 C21 124.1(2) . .
C19 C20 C21 117.0(2) . .
N2 C21 C20 126.3(2) . .
N2 C21 H21A 116.9 . .
C20 C21 H21A 116.9 . .
C21 N2 C23 122.6(2) . .
C21 N2 Zn1 127.92(19) . .
C23 N2 Zn1 109.42(16) . .
C24 C23 C28 119.9(2) . .
C24 C23 N2 125.0(2) . .
C28 C23 N2 115.1(2) . .
C25 C24 C23 120.5(3) . .
C25 C24 H24A 119.8 . .
C23 C24 H24A 119.8 . .
C24 C25 C26 119.7(3) . .
C24 C25 H25A 120.2 . .
C26 C25 H25A 120.2 . .
C27 C26 C25 120.7(3) . .
C27 C26 H26A 119.7 . .
C25 C26 H26A 119.7 . .
C26 C27 C28 120.8(3) . .
C26 C27 H27A 119.6 . .
C28 C27 H27A 119.6 . .
O6 C28 C27 121.7(2) . .
O6 C28 C23 119.8(2) . .
C27 C28 C23 118.4(2) . .
C28 O6 Zn1 108.87(15) . .
C28 O6 Dy1 119.68(15) . 2_666
Zn1 O6 Dy1 105.12(7) . 2_666
N3 O7 Dy1 94.55(18) . .
N3 O8 Dy1 93.19(17) . .
O8 N3 O7 119.3(3) . .
O8 N3 O9 121.5(3) . .
O7 N3 O9 119.2(3) . .
C29 O10 Zn1 130.90(18) . .
C29 O10 H10 105(2) . .
Zn1 O10 H10 113(2) . .
O10 C29 H29A 109.5 . .
O10 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
O10 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
Cl2 C31 Cl1 113.5(2) . .
Cl2 C31 H31A 108.9 . .
Cl1 C31 H31A 108.9 . .
Cl2 C31 H31B 108.9 . .
Cl1 C31 H31B 108.9 . .
H31A C31 H31B 107.7 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O1 2.1679(18) .
Dy1 O4 2.2875(17) .
Dy1 O6 2.3484(19) 2_666
Dy1 O3 2.4025(17) .
Dy1 N1 2.433(2) .
Dy1 O7 2.441(2) .
Dy1 O8 2.483(2) .
Dy1 O5 2.4878(18) .
Zn1 N2 2.063(2) .
Zn1 O4 2.0641(17) .
Zn1 O6 2.0677(18) .
Zn1 O3 2.0868(18) .
Zn1 O10 2.168(2) .
Zn1 O3 2.2688(18) 2_666
O1 C1 1.310(3) .
C1 C6 1.414(4) .
C1 C2 1.423(4) .
C2 O2 1.375(3) .
C2 C3 1.380(4) .
O2 C8 1.429(3) .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C3 C4 1.403(4) .
C3 H3A 0.9500 .
C4 C5 1.368(4) .
C4 H4A 0.9500 .
C5 C6 1.415(4) .
C5 H5A 0.9500 .
C6 C7 1.443(4) .
C7 N1 1.295(3) .
C7 H7A 0.9500 .
N1 C9 1.425(3) .
C9 C10 1.395(4) .
C9 C14 1.404(4) .
C10 C11 1.382(4) .
C10 H10A 0.9500 .
C11 C12 1.387(4) .
C11 H11A 0.9500 .
C12 C13 1.389(4) .
C12 H12A 0.9500 .
C13 C14 1.391(4) .
C13 H13A 0.9500 .
C14 O3 1.373(3) .
O3 Zn1 2.2688(18) 2_666
O4 C15 1.335(3) .
C15 C20 1.407(4) .
C15 C16 1.412(4) .
C16 C17 1.377(4) .
C16 O5 1.391(3) .
O5 C22 1.441(3) .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C17 C18 1.399(4) .
C17 H17A 0.9500 .
C18 C19 1.370(4) .
C18 H18A 0.9500 .
C19 C20 1.411(4) .
C19 H19A 0.9500 .
C20 C21 1.450(4) .
C21 N2 1.284(3) .
C21 H21A 0.9500 .
N2 C23 1.421(3) .
C23 C24 1.395(4) .
C23 C28 1.417(4) .
C24 C25 1.382(4) .
C24 H24A 0.9500 .
C25 C26 1.387(4) .
C25 H25A 0.9500 .
C26 C27 1.383(4) .
C26 H26A 0.9500 .
C27 C28 1.393(4) .
C27 H27A 0.9500 .
C28 O6 1.355(3) .
O6 Dy1 2.3484(18) 2_666
O7 N3 1.280(3) .
O8 N3 1.257(4) .
N3 O9 1.394(5) .
O10 C29 1.430(3) .
O10 H10 0.83(3) .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 0.9800 .
Cl1 C31 1.754(4) .
C31 Cl2 1.740(4) .
C31 H31A 0.9900 .
C31 H31B 0.9900 .
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
O10 H10 O7 0.83(3) 1.91(3) 2.687(3) 155(3)
C31 H31A O8 0.99 2.34 3.077(4) 130.3
C31 H31B O2 0.99 2.43 3.336(5) 151.6
