#------------------------------------------------------------------------------
#$Date: 2015-07-11 00:07:12 +0300 (Sat, 11 Jul 2015) $
#$Revision: 143468 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/01/1520126.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_1520126
loop_
_publ_author_name
'Wu, Jianfeng'
'Zhao, Lang'
'Zhang, Peng'
'Zhang, Li'
'Guo, Mei'
'Tang, Jinkui'
_publ_section_title
;
 Linear 3d-4f compounds: synthesis, structure, and determination of the
 d-f magnetic interaction.
;
_journal_issue                   26
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11935
_journal_page_last               11942
_journal_paper_doi               10.1039/c5dt01382h
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C76 H70 Dy2 N4 O24 Zn2'
_chemical_formula_sum            'C76 H70 Dy2 N4 O24 Zn2'
_chemical_formula_weight         1879.10
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2015-05-06 deposited with the CCDC.
2015-05-29 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 120.515(12)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   23.874(3)
_cell_length_b                   16.890(3)
_cell_length_c                   22.915(4)
_cell_measurement_reflns_used    5863
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.70
_cell_measurement_theta_min      2.62
_cell_volume                     7960(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0729
_diffrn_reflns_av_unetI/netI     0.0879
_diffrn_reflns_laue_measured_fraction_full 0.981
_diffrn_reflns_laue_measured_fraction_max 0.981
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            18502
_diffrn_reflns_point_group_measured_fraction_full 0.981
_diffrn_reflns_point_group_measured_fraction_max 0.981
_diffrn_reflns_theta_full        25.095
_diffrn_reflns_theta_max         25.095
_diffrn_reflns_theta_min         1.569
_exptl_absorpt_coefficient_mu    2.527
_exptl_absorpt_correction_T_max  0.588
_exptl_absorpt_correction_T_min  0.565
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   (sadabs;bruker,2000)
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.568
_exptl_crystal_description       block
_exptl_crystal_F_000             3752
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.21
_refine_diff_density_max         1.268
_refine_diff_density_min         -1.361
_refine_diff_density_rms         0.160
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     430
_refine_ls_number_reflns         6961
_refine_ls_number_restraints     302
_refine_ls_restrained_S_all      1.109
_refine_ls_R_factor_all          0.1253
_refine_ls_R_factor_gt           0.0776
_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)+(0.1393P)²+21.5339P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2172
_refine_ls_wR_factor_ref         0.2611
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4061
_reflns_number_total             6961
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5dt01382h2.cif
_cod_data_source_block           Dy2Zn2
_cod_depositor_comments
'Adding full bibliography for 1520123--1520137.cif.'
_cod_database_code               1520126
_audit_block_doi                 10.5517/cc14ht8q
_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.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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
C1 C 0.7180(7) -0.0223(12) 0.2877(8) 0.119(6) Uani 1 1 d . U
H1A H 0.7148 -0.0790 0.2859 0.178 Uiso 1 1 calc R U
H1B H 0.6770 0.0001 0.2547 0.178 Uiso 1 1 calc R U
H1C H 0.7292 -0.0044 0.3320 0.178 Uiso 1 1 calc R U
C2 C 0.8273(3) -0.0288(6) 0.3108(5) 0.083(4) Uani 1 1 d G U
C3 C 0.8458(5) -0.0768(7) 0.3670(5) 0.127(6) Uani 1 1 d G U
H3 H 0.8170 -0.0859 0.3824 0.152 Uiso 1 1 calc R U
C4 C 0.9072(5) -0.1112(7) 0.4002(5) 0.146(7) Uani 1 1 d G U
H4 H 0.9195 -0.1433 0.4378 0.175 Uiso 1 1 calc R U
C5 C 0.9501(4) -0.0976(6) 0.3771(5) 0.123(6) Uani 1 1 d G U
H5 H 0.9912 -0.1206 0.3993 0.148 Uiso 1 1 calc R U
C6 C 0.9317(3) -0.0496(6) 0.3210(5) 0.078(3) Uani 1 1 d G U
C7 C 0.8703(3) -0.0153(5) 0.2878(3) 0.061(3) Uani 1 1 d G U
C8 C 0.9790(5) -0.0408(8) 0.2987(6) 0.070(3) Uani 1 1 d . U
H8 H 1.0138 -0.0759 0.3155 0.084 Uiso 1 1 calc R U
C9 C 0.6459(7) 0.2264(11) 0.0431(8) 0.149(8) Uani 1 1 d . U
H9A H 0.6438 0.2507 0.0041 0.223 Uiso 1 1 calc DR U
H9B H 0.6307 0.2631 0.0639 0.223 Uiso 1 1 calc R U
H9C H 0.6192 0.1798 0.0294 0.223 Uiso 1 1 calc R U
C10 C 0.7579(3) 0.2550(5) 0.0951(4) 0.084(4) Uani 1 1 d G U
C11 C 0.7450(4) 0.3220(6) 0.0551(4) 0.104(5) Uani 1 1 d G U
H11 H 0.7023 0.3364 0.0246 0.125 Uiso 1 1 calc DR U
C12 C 0.7960(6) 0.3675(5) 0.0606(5) 0.129(6) Uani 1 1 d G U
H12 H 0.7874 0.4123 0.0338 0.155 Uiso 1 1 calc R U
C13 C 0.8599(5) 0.3459(6) 0.1061(5) 0.113(5) Uani 1 1 d G U
H13 H 0.8940 0.3763 0.1098 0.136 Uiso 1 1 calc R U
C14 C 0.8728(3) 0.2788(6) 0.1462(4) 0.081(4) Uani 1 1 d G U
C15 C 0.8218(4) 0.2334(4) 0.1406(3) 0.064(3) Uani 1 1 d G U
C16 C 0.9411(6) 0.2593(8) 0.1907(6) 0.074(3) Uani 1 1 d . U
H16 H 0.9705 0.2965 0.1923 0.089 Uiso 1 1 calc R U
C17 C 0.6532(6) -0.0163(11) 0.0722(7) 0.080(4) Uani 1 1 d . U
C18 C 0.6059(4) -0.0757(7) 0.0219(5) 0.082(4) Uani 1 1 d G U
C19 C 0.5476(5) -0.0444(6) -0.0291(6) 0.122(5) Uani 1 1 d G U
H19 H 0.5402 0.0098 -0.0312 0.147 Uiso 1 1 calc R U
C20 C 0.5002(4) -0.0943(8) -0.0770(5) 0.128(6) Uani 1 1 d G U
H20 H 0.4611 -0.0734 -0.1111 0.153 Uiso 1 1 calc R U
C21 C 0.5111(6) -0.1754(8) -0.0739(6) 0.128(6) Uani 1 1 d G U
H21 H 0.4794 -0.2088 -0.1059 0.154 Uiso 1 1 calc R U
C22 C 0.5694(7) -0.2067(6) -0.0229(7) 0.157(8) Uani 1 1 d G U
H22 H 0.5768 -0.2610 -0.0208 0.188 Uiso 1 1 calc R U
C23 C 0.6168(5) -0.1569(7) 0.0250(5) 0.131(6) Uani 1 1 d G U
H23 H 0.6559 -0.1778 0.0591 0.157 Uiso 1 1 calc R U
C24 C 0.6964(7) 0.1720(9) 0.2274(6) 0.083(4) Uani 1 1 d . U
C25 C 0.6702(4) 0.2200(6) 0.2654(4) 0.080(4) Uani 1 1 d G U
C26 C 0.7010(4) 0.2887(6) 0.3006(5) 0.097(4) Uani 1 1 d G U
H26 H 0.7369 0.3080 0.2994 0.116 Uiso 1 1 calc R U
C27 C 0.6782(5) 0.3284(5) 0.3375(5) 0.116(5) Uani 1 1 d G U
H27 H 0.6988 0.3743 0.3611 0.139 Uiso 1 1 calc R U
C28 C 0.6245(5) 0.2995(7) 0.3393(5) 0.112(5) Uani 1 1 d G U
H28 H 0.6093 0.3260 0.3640 0.134 Uiso 1 1 calc R U
C29 C 0.5937(4) 0.2309(7) 0.3041(5) 0.112(5) Uani 1 1 d G U
H29 H 0.5578 0.2115 0.3052 0.135 Uiso 1 1 calc R U
C30 C 0.6166(4) 0.1911(6) 0.2671(5) 0.111(5) Uani 1 1 d G U
H30 H 0.5959 0.1452 0.2436 0.133 Uiso 1 1 calc R U
C31 C 0.8306(5) 0.0240(7) 0.0848(5) 0.059(3) Uani 1 1 d . U
C32 C 0.8235(4) -0.0300(5) 0.0302(4) 0.067(3) Uani 1 1 d G U
C33 C 0.7689(3) -0.0781(5) -0.0030(4) 0.068(3) Uani 1 1 d G U
H33 H 0.7368 -0.0758 0.0086 0.081 Uiso 1 1 calc R U
C34 C 0.7623(4) -0.1296(5) -0.0534(5) 0.111(5) Uani 1 1 d G U
H34 H 0.7257 -0.1618 -0.0756 0.134 Uiso 1 1 calc R U
C35 C 0.8102(6) -0.1329(6) -0.0707(5) 0.122(6) Uani 1 1 d G U
H35 H 0.8058 -0.1674 -0.1044 0.147 Uiso 1 1 calc R U
C36 C 0.8649(5) -0.0848(7) -0.0375(6) 0.138(7) Uani 1 1 d G U
H36 H 0.8970 -0.0871 -0.0490 0.166 Uiso 1 1 calc R U
C37 C 0.8715(4) -0.0334(6) 0.0130(5) 0.100(4) Uani 1 1 d G U
H37 H 0.9081 -0.0012 0.0352 0.120 Uiso 1 1 calc R U
C38 C 1.0020(11) 0.1525(15) 0.4051(9) 0.160(8) Uani 1 1 d . U
H38A H 1.0414 0.1496 0.4036 0.240 Uiso 1 1 calc R U
H38B H 0.9989 0.1070 0.4285 0.240 Uiso 1 1 calc R U
H38C H 1.0022 0.1997 0.4285 0.240 Uiso 1 1 calc R U
Dy1 Dy 0.74704(2) 0.08346(4) 0.16379(2) 0.0734(3) Uani 1 1 d . .
N1 N 0.9750(4) 0.0123(5) 0.2576(4) 0.053(2) Uani 1 1 d . .
N2 N 0.9664(4) 0.1977(5) 0.2283(4) 0.055(2) Uani 1 1 d . .
O1 O 0.7673(4) 0.0021(6) 0.2733(4) 0.082(2) Uani 1 1 d . U
O2 O 0.8505(3) 0.0337(5) 0.2373(3) 0.0609(19) Uani 1 1 d . U
O3 O 0.7120(4) 0.2050(6) 0.0907(4) 0.091(3) Uani 1 1 d . U
O4 O 0.8300(3) 0.1705(5) 0.1781(3) 0.066(2) Uani 1 1 d . U
O5 O 0.6514(4) 0.0516(8) 0.0614(5) 0.098(3) Uani 1 1 d . U
O6 O 0.6973(4) -0.0476(7) 0.1320(4) 0.092(3) Uani 1 1 d . U
O7 O 0.6616(4) 0.1211(7) 0.1843(4) 0.097(3) Uani 1 1 d . U
O8 O 0.7524(4) 0.1873(6) 0.2409(4) 0.086(3) Uani 1 1 d . U
O9 O 0.7818(3) 0.0323(5) 0.0909(3) 0.068(2) Uani 1 1 d . U
O10 O 0.8839(4) 0.0565(5) 0.1208(4) 0.067(2) Uani 1 1 d . U
O12 O 0.9442(9) 0.1540(12) 0.3336(9) 0.204(7) Uani 1 1 d D U
H12A H 0.9162 0.1235 0.3307 0.306 Uiso 1 1 calc DR U
Zn1 Zn 0.90808(6) 0.09940(8) 0.21371(7) 0.0623(4) Uani 1 1 d . .
O11 O 0.8710(10) 0.2776(13) 0.3267(8) 0.245(9) Uani 1 1 d . U
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'
Dy Dy -0.1892 4.4098 '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'
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 C1 H1A 109.5 . .
O1 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
O1 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
O1 C2 C3 123.4(7) . .
O1 C2 C7 116.4(7) . .
C3 C2 C7 120.0 . .
C4 C3 C2 120.0 . .
C4 C3 H3 120.0 . .
C2 C3 H3 120.0 . .
C3 C4 C5 120.0 . .
C3 C4 H4 120.0 . .
C5 C4 H4 120.0 . .
C4 C5 C6 120.0 . .
C4 C5 H5 120.0 . .
C6 C5 H5 120.0 . .
C7 C6 C5 120.0 . .
C7 C6 C8 123.6(7) . .
C5 C6 C8 116.4(7) . .
O2 C7 C6 123.9(6) . .
O2 C7 C2 116.0(6) . .
C6 C7 C2 120.0 . .
N1 C8 C6 123.3(10) . .
N1 C8 H8 118.4 . .
C6 C8 H8 118.4 . .
O3 C9 H9A 109.5 . .
O3 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
O3 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
O3 C10 C11 124.3(7) . .
O3 C10 C15 115.6(7) . .
C11 C10 C15 120.0 . .
C10 C11 C12 120.0 . .
C10 C11 H11 120.0 . .
C12 C11 H11 120.0 . .
C13 C12 C11 120.0 . .
C13 C12 H12 120.0 . .
C11 C12 H12 120.0 . .
C12 C13 C14 120.0 . .
C12 C13 H13 120.0 . .
C14 C13 H13 120.0 . .
C15 C14 C13 120.0 . .
C15 C14 C16 123.8(8) . .
C13 C14 C16 116.2(8) . .
O4 C15 C14 123.6(7) . .
O4 C15 C10 116.4(7) . .
C14 C15 C10 120.0 . .
N2 C16 C14 129.1(11) . .
N2 C16 H16 115.4 . .
C14 C16 H16 115.4 . .
O5 C17 O6 121.8(14) . .
O5 C17 C18 123.8(14) . .
O6 C17 C18 114.4(14) . .
O5 C17 Dy1 59.1(8) . .
O6 C17 Dy1 63.0(7) . .
C18 C17 Dy1 175.2(9) . .
C19 C18 C23 120.0 . .
C19 C18 C17 115.5(10) . .
C23 C18 C17 124.5(10) . .
C20 C19 C18 120.0 . .
C20 C19 H19 120.0 . .
C18 C19 H19 120.0 . .
C19 C20 C21 120.0 . .
C19 C20 H20 120.0 . .
C21 C20 H20 120.0 . .
C22 C21 C20 120.0 . .
C22 C21 H21 120.0 . .
C20 C21 H21 120.0 . .
C23 C22 C21 120.0 . .
C23 C22 H22 120.0 . .
C21 C22 H22 120.0 . .
C22 C23 C18 120.0 . .
C22 C23 H23 120.0 . .
C18 C23 H23 120.0 . .
O8 C24 O7 122.7(11) . .
O8 C24 C25 116.6(12) . .
O7 C24 C25 120.7(12) . .
O8 C24 Dy1 62.4(6) . .
O7 C24 Dy1 60.4(6) . .
C25 C24 Dy1 177.9(8) . .
C26 C25 C30 120.0 . .
C26 C25 C24 121.4(9) . .
C30 C25 C24 118.5(9) . .
C25 C26 C27 120.0 . .
C25 C26 H26 120.0 . .
C27 C26 H26 120.0 . .
C28 C27 C26 120.0 . .
C28 C27 H27 120.0 . .
C26 C27 H27 120.0 . .
C27 C28 C29 120.0 . .
C27 C28 H28 120.0 . .
C29 C28 H28 120.0 . .
C28 C29 C30 120.0 . .
C28 C29 H29 120.0 . .
C30 C29 H29 120.0 . .
C29 C30 C25 120.0 . .
C29 C30 H30 120.0 . .
C25 C30 H30 120.0 . .
O10 C31 O9 125.2(10) . .
O10 C31 C32 118.0(9) . .
O9 C31 C32 116.7(9) . .
C33 C32 C37 120.0 . .
C33 C32 C31 119.5(7) . .
C37 C32 C31 120.5(7) . .
C32 C33 C34 120.0 . .
C32 C33 H33 120.0 . .
C34 C33 H33 120.0 . .
C33 C34 C35 120.0 . .
C33 C34 H34 120.0 . .
C35 C34 H34 120.0 . .
C36 C35 C34 120.0 . .
C36 C35 H35 120.0 . .
C34 C35 H35 120.0 . .
C37 C36 C35 120.0 . .
C37 C36 H36 120.0 . .
C35 C36 H36 120.0 . .
C36 C37 C32 120.0 . .
C36 C37 H37 120.0 . .
C32 C37 H37 120.0 . .
O12 C38 H38A 109.5 . .
O12 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
O12 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
O2 Dy1 O4 67.4(2) . .
O2 Dy1 O5 140.6(3) . .
O4 Dy1 O5 127.0(4) . .
O2 Dy1 O9 75.9(2) . .
O4 Dy1 O9 75.8(3) . .
O5 Dy1 O9 74.0(3) . .
O2 Dy1 O7 130.5(3) . .
O4 Dy1 O7 123.1(3) . .
O5 Dy1 O7 76.5(3) . .
O9 Dy1 O7 150.5(3) . .
O2 Dy1 O6 93.8(3) . .
O4 Dy1 O6 148.9(3) . .
O5 Dy1 O6 54.4(4) . .
O9 Dy1 O6 75.6(3) . .
O7 Dy1 O6 88.0(3) . .
O2 Dy1 O8 95.1(3) . .
O4 Dy1 O8 73.7(3) . .
O5 Dy1 O8 123.5(3) . .
O9 Dy1 O8 149.3(3) . .
O7 Dy1 O8 53.6(3) . .
O6 Dy1 O8 134.8(3) . .
O2 Dy1 O3 130.5(3) . .
O4 Dy1 O3 63.5(3) . .
O5 Dy1 O3 72.3(4) . .
O9 Dy1 O3 86.8(3) . .
O7 Dy1 O3 83.5(3) . .
O6 Dy1 O3 126.5(3) . .
O8 Dy1 O3 76.9(3) . .
O2 Dy1 O1 61.1(2) . .
O4 Dy1 O1 116.8(2) . .
O5 Dy1 O1 115.9(4) . .
O9 Dy1 O1 120.7(3) . .
O7 Dy1 O1 73.7(3) . .
O6 Dy1 O1 69.1(3) . .
O8 Dy1 O1 76.9(3) . .
O3 Dy1 O1 152.3(3) . .
O2 Dy1 C17 119.2(4) . .
O4 Dy1 C17 142.7(3) . .
O5 Dy1 C17 25.2(4) . .
O9 Dy1 C17 71.3(3) . .
O7 Dy1 C17 82.4(3) . .
O6 Dy1 C17 29.3(4) . .
O8 Dy1 C17 135.9(3) . .
O3 Dy1 C17 97.3(4) . .
O1 Dy1 C17 95.2(4) . .
O2 Dy1 C24 113.7(3) . .
O4 Dy1 C24 98.7(4) . .
O5 Dy1 C24 100.8(4) . .
O9 Dy1 C24 166.6(4) . .
O7 Dy1 C24 27.0(4) . .
O6 Dy1 C24 111.8(4) . .
O8 Dy1 C24 26.7(4) . .
O3 Dy1 C24 79.8(4) . .
O1 Dy1 C24 72.7(3) . .
C17 Dy1 C24 109.3(4) . .
O2 Dy1 Zn1 35.59(18) . .
O4 Dy1 Zn1 34.93(17) . .
O5 Dy1 Zn1 134.9(2) . .
O9 Dy1 Zn1 61.87(18) . .
O7 Dy1 Zn1 146.8(2) . .
O6 Dy1 Zn1 117.7(2) . .
O8 Dy1 Zn1 93.7(2) . .
O3 Dy1 Zn1 95.5(2) . .
O1 Dy1 Zn1 95.13(16) . .
C17 Dy1 Zn1 130.4(3) . .
C24 Dy1 Zn1 120.0(3) . .
C8 N1 N1 115.5(8) . 2_755
C8 N1 Zn1 128.9(8) . .
N1 N1 Zn1 115.6(5) 2_755 .
C16 N2 N2 117.2(8) . 2_755
C16 N2 Zn1 119.2(8) . .
N2 N2 Zn1 123.2(3) 2_755 .
C2 O1 C1 118.2(10) . .
C2 O1 Dy1 115.1(5) . .
C1 O1 Dy1 125.7(8) . .
C7 O2 Zn1 126.2(5) . .
C7 O2 Dy1 130.3(5) . .
Zn1 O2 Dy1 102.8(3) . .
C10 O3 C9 115.9(12) . .
C10 O3 Dy1 118.7(6) . .
C9 O3 Dy1 125.3(12) . .
C15 O4 Zn1 123.1(6) . .
C15 O4 Dy1 125.3(6) . .
Zn1 O4 Dy1 103.0(3) . .
C17 O5 Dy1 95.8(9) . .
C17 O6 Dy1 87.7(9) . .
C24 O7 Dy1 92.6(8) . .
C24 O8 Dy1 90.9(8) . .
C31 O9 Dy1 143.0(7) . .
C31 O10 Zn1 120.2(7) . .
C38 O12 H12A 109.5 . .
O4 Zn1 N1 166.3(3) . .
O4 Zn1 O10 94.4(3) . .
N1 Zn1 O10 89.7(3) . .
O4 Zn1 O2 79.7(3) . .
N1 Zn1 O2 86.6(3) . .
O10 Zn1 O2 102.2(3) . .
O4 Zn1 N2 89.8(3) . .
N1 Zn1 N2 101.8(3) . .
O10 Zn1 N2 105.2(3) . .
O2 Zn1 N2 151.2(3) . .
O4 Zn1 Dy1 42.1(2) . .
N1 Zn1 Dy1 125.3(2) . .
O10 Zn1 Dy1 87.0(2) . .
O2 Zn1 Dy1 41.56(19) . .
N2 Zn1 Dy1 131.6(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O1 1.434(15) .
C1 H1A 0.9600 .
C1 H1B 0.9600 .
C1 H1C 0.9600 .
C2 O1 1.347(10) .
C2 C3 1.3900 .
C2 C7 1.3900 .
C3 C4 1.3900 .
C3 H3 0.9300 .
C4 C5 1.3900 .
C4 H4 0.9300 .
C5 C6 1.3900 .
C5 H5 0.9300 .
C6 C7 1.3900 .
C6 C8 1.466(13) .
C7 O2 1.301(9) .
C8 N1 1.268(14) .
C8 H8 0.9300 .
C9 O3 1.436(15) .
C9 H9A 0.9600 .
C9 H9B 0.9600 .
C9 H9C 0.9600 .
C10 O3 1.345(13) .
C10 C11 1.3900 .
C10 C15 1.3900 .
C11 C12 1.3900 .
C11 H11 0.9300 .
C12 C13 1.3900 .
C12 H12 0.9300 .
C13 C14 1.3900 .
C13 H13 0.9300 .
C14 C15 1.3900 .
C14 C16 1.455(13) .
C15 O4 1.317(10) .
C16 N2 1.289(14) .
C16 H16 0.9300 .
C17 O5 1.169(17) .
C17 O6 1.341(16) .
C17 C18 1.512(16) .
C17 Dy1 2.737(14) .
C18 C19 1.3900 .
C18 C23 1.3900 .
C19 C20 1.3900 .
C19 H19 0.9300 .
C20 C21 1.3900 .
C20 H20 0.9300 .
C21 C22 1.3900 .
C21 H21 0.9300 .
C22 C23 1.3900 .
C22 H22 0.9300 .
C23 H23 0.9300 .
C24 O8 1.238(16) .
C24 O7 1.254(16) .
C24 C25 1.536(13) .
C24 Dy1 2.759(12) .
C25 C26 1.3900 .
C25 C30 1.3900 .
C26 C27 1.3900 .
C26 H26 0.9300 .
C27 C28 1.3900 .
C27 H27 0.9300 .
C28 C29 1.3900 .
C28 H28 0.9300 .
C29 C30 1.3900 .
C29 H29 0.9300 .
C30 H30 0.9300 .
C31 O10 1.239(12) .
C31 O9 1.248(12) .
C31 C32 1.487(12) .
C32 C33 1.3900 .
C32 C37 1.3900 .
C33 C34 1.3900 .
C33 H33 0.9300 .
C34 C35 1.3900 .
C34 H34 0.9300 .
C35 C36 1.3900 .
C35 H35 0.9300 .
C36 C37 1.3900 .
C36 H36 0.9300 .
C37 H37 0.9300 .
C38 O12 1.51(2) .
C38 H38A 0.9600 .
C38 H38B 0.9600 .
C38 H38C 0.9600 .
Dy1 O2 2.327(7) .
Dy1 O4 2.352(8) .
Dy1 O5 2.360(9) .
Dy1 O9 2.373(7) .
Dy1 O7 2.401(8) .
Dy1 O6 2.442(10) .
Dy1 O8 2.445(8) .
Dy1 O3 2.509(10) .
Dy1 O1 2.681(8) .
Dy1 Zn1 3.4200(14) .
N1 N1 1.405(16) 2_755
N1 Zn1 2.023(8) .
N2 N2 1.392(16) 2_755
N2 Zn1 2.083(9) .
O2 Zn1 2.042(7) .
O4 Zn1 2.010(7) .
O10 Zn1 2.036(8) .
O12 H12A 0.8200 .
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_4
O1 C2 C3 C4 175.3(11) .
C7 C2 C3 C4 0.0 .
C2 C3 C4 C5 0.0 .
C3 C4 C5 C6 0.0 .
C4 C5 C6 C7 0.0 .
C4 C5 C6 C8 -177.9(10) .
C5 C6 C7 O2 176.1(9) .
C8 C6 C7 O2 -6.2(12) .
C5 C6 C7 C2 0.0 .
C8 C6 C7 C2 177.7(11) .
O1 C2 C7 O2 8.0(10) .
C3 C2 C7 O2 -176.4(9) .
O1 C2 C7 C6 -175.6(10) .
C3 C2 C7 C6 0.0 .
C7 C6 C8 N1 16.8(16) .
C5 C6 C8 N1 -165.5(9) .
O3 C10 C11 C12 -176.2(9) .
C15 C10 C11 C12 0.0 .
C10 C11 C12 C13 0.0 .
C11 C12 C13 C14 0.0 .
C12 C13 C14 C15 0.0 .
C12 C13 C14 C16 178.0(9) .
C13 C14 C15 O4 -177.9(8) .
C16 C14 C15 O4 4.2(10) .
C13 C14 C15 C10 0.0 .
C16 C14 C15 C10 -177.9(9) .
O3 C10 C15 O4 -5.5(8) .
C11 C10 C15 O4 178.1(7) .
O3 C10 C15 C14 176.5(8) .
C11 C10 C15 C14 0.0 .
C15 C14 C16 N2 4.6(16) .
C13 C14 C16 N2 -173.3(10) .
O5 C17 C18 C19 -20.4(16) .
O6 C17 C18 C19 158.0(9) .
O5 C17 C18 C23 161.1(11) .
O6 C17 C18 C23 -20.4(14) .
C23 C18 C19 C20 0.0 .
C17 C18 C19 C20 -178.5(9) .
C18 C19 C20 C21 0.0 .
C19 C20 C21 C22 0.0 .
C20 C21 C22 C23 0.0 .
C21 C22 C23 C18 0.0 .
C19 C18 C23 C22 0.0 .
C17 C18 C23 C22 178.4(10) .
O8 C24 C25 C26 14.5(15) .
O7 C24 C25 C26 -164.3(11) .
O8 C24 C25 C30 -162.0(10) .
O7 C24 C25 C30 19.2(16) .
C30 C25 C26 C27 0.0 .
C24 C25 C26 C27 -176.4(9) .
C25 C26 C27 C28 0.0 .
C26 C27 C28 C29 0.0 .
C27 C28 C29 C30 0.0 .
C28 C29 C30 C25 0.0 .
C26 C25 C30 C29 0.0 .
C24 C25 C30 C29 176.5(9) .
O10 C31 C32 C33 168.6(8) .
O9 C31 C32 C33 -10.8(13) .
O10 C31 C32 C37 -10.5(13) .
O9 C31 C32 C37 170.0(8) .
C37 C32 C33 C34 0.0 .
C31 C32 C33 C34 -179.1(8) .
C32 C33 C34 C35 0.0 .
C33 C34 C35 C36 0.0 .
C34 C35 C36 C37 0.0 .
C35 C36 C37 C32 0.0 .
C33 C32 C37 C36 0.0 .
C31 C32 C37 C36 179.1(8) .
C6 C8 N1 N1 179.5(10) 2_755
C6 C8 N1 Zn1 1.9(17) .
C14 C16 N2 N2 -173.3(11) 2_755
C14 C16 N2 Zn1 13.5(16) .
C3 C2 O1 C1 -6.7(14) .
C7 C2 O1 C1 168.7(10) .
C3 C2 O1 Dy1 -176.0(5) .
C7 C2 O1 Dy1 -0.5(10) .
C6 C7 O2 Zn1 -21.2(11) .
C2 C7 O2 Zn1 155.0(6) .
C6 C7 O2 Dy1 169.5(6) .
C2 C7 O2 Dy1 -14.3(10) .
C11 C10 O3 C9 -2.9(13) .
C15 C10 O3 C9 -179.2(9) .
C11 C10 O3 Dy1 176.7(4) .
C15 C10 O3 Dy1 0.4(9) .
C14 C15 O4 Zn1 -31.0(9) .
C10 C15 O4 Zn1 151.1(5) .
C14 C15 O4 Dy1 -173.2(5) .
C10 C15 O4 Dy1 8.8(8) .
O6 C17 O5 Dy1 6.3(13) .
C18 C17 O5 Dy1 -175.4(10) .
O5 C17 O6 Dy1 -6.1(13) .
C18 C17 O6 Dy1 175.5(8) .
O8 C24 O7 Dy1 3.4(15) .
C25 C24 O7 Dy1 -177.9(10) .
O7 C24 O8 Dy1 -3.4(15) .
C25 C24 O8 Dy1 177.9(10) .
O10 C31 O9 Dy1 -11(2) .
C32 C31 O9 Dy1 168.0(8) .
O9 C31 O10 Zn1 20.3(15) .
C32 C31 O10 Zn1 -159.1(7) .
