#------------------------------------------------------------------------------
#$Date: 2015-07-11 00:07:12 +0300 (Sat, 11 Jul 2015) $
#$Revision: 143468 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/01/1520125.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_1520125
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         'C78 H76 Dy2 N4 Ni2 O25'
_chemical_formula_sum            'C78 H76 Dy2 N4 Ni2 O25'
_chemical_formula_weight         1911.84
_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                 121.087(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   24.030(5)
_cell_length_b                   16.831(3)
_cell_length_c                   22.733(5)
_cell_measurement_reflns_used    5286
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      23.09
_cell_measurement_theta_min      2.16
_cell_volume                     7874(3)
_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      296(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.984
_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  0.0706
_diffrn_reflns_av_unetI/netI     0.0832
_diffrn_reflns_laue_measured_fraction_full 0.987
_diffrn_reflns_laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            21981
_diffrn_reflns_point_group_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.271
_diffrn_reflns_theta_min         1.563
_exptl_absorpt_coefficient_mu    2.427
_exptl_absorpt_correction_T_max  0.601
_exptl_absorpt_correction_T_min  0.578
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   (sadabs;bruker,2000)
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.613
_exptl_crystal_description       block
_exptl_crystal_F_000             3840
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.21
_refine_diff_density_max         1.088
_refine_diff_density_min         -0.985
_refine_diff_density_rms         0.119
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     447
_refine_ls_number_reflns         7041
_refine_ls_number_restraints     314
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.1140
_refine_ls_R_factor_gt           0.0557
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0756P)²+30.7282P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1357
_refine_ls_wR_factor_ref         0.1739
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3988
_reflns_number_total             7041
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5dt01382h2.cif
_cod_data_source_block           Dy2Ni2
_cod_depositor_comments
'Adding full bibliography for 1520123--1520137.cif.'
_cod_database_code               1520125
_audit_block_doi                 10.5517/cc14ht7p
_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
_atom_site_refinement_flags_occupancy
C1 C 0.2751(6) 0.4739(8) 0.2059(7) 0.109(4) Uani 1 1 d . U .
H1A H 0.2611 0.4887 0.1595 0.164 Uiso 1 1 calc R U .
H1B H 0.2798 0.4172 0.2105 0.164 Uiso 1 1 calc R U .
H1C H 0.3161 0.4987 0.2366 0.164 Uiso 1 1 calc R U .
C2 C 0.1681(3) 0.4646(4) 0.1869(4) 0.075(3) Uani 1 1 d G U .
C3 C 0.1478(4) 0.4163(5) 0.1298(4) 0.111(4) Uani 1 1 d G U .
H3 H 0.1754 0.4066 0.1133 0.133 Uiso 1 1 calc R U .
C4 C 0.0862(4) 0.3824(5) 0.0974(3) 0.128(5) Uani 1 1 d G U .
H4 H 0.0726 0.3501 0.0591 0.154 Uiso 1 1 calc R U .
C5 C 0.0450(3) 0.3969(4) 0.1221(4) 0.104(4) Uani 1 1 d G U .
H5 H 0.0037 0.3742 0.1003 0.125 Uiso 1 1 calc R U .
C6 C 0.0653(3) 0.4452(4) 0.1792(3) 0.070(3) Uani 1 1 d G U .
C7 C 0.1269(3) 0.4791(4) 0.2116(3) 0.057(2) Uani 1 1 d G U .
C8 C 0.0208(4) 0.4563(6) 0.2029(5) 0.066(2) Uani 1 1 d . U .
H8 H -0.0119 0.4188 0.1901 0.079 Uiso 1 1 calc R U .
C9 C 0.0583(5) 0.7569(5) 0.3090(4) 0.062(2) Uani 1 1 d . U .
H9 H 0.0290 0.7948 0.3068 0.074 Uiso 1 1 calc R U .
C10 C 0.1260(3) 0.7746(4) 0.3533(3) 0.071(3) Uani 1 1 d G U .
C11 C 0.1392(4) 0.8403(4) 0.3956(4) 0.097(4) Uani 1 1 d G U .
H11 H 0.1053 0.8696 0.3931 0.116 Uiso 1 1 calc R U .
C12 C 0.2032(4) 0.8622(4) 0.4415(3) 0.111(4) Uani 1 1 d G U .
H12 H 0.2121 0.9062 0.4698 0.133 Uiso 1 1 calc R U .
C13 C 0.2540(3) 0.8184(5) 0.4452(3) 0.094(3) Uani 1 1 d G U .
H13 H 0.2968 0.8330 0.4759 0.112 Uiso 1 1 calc R U .
C14 C 0.2407(3) 0.7527(4) 0.4029(3) 0.078(3) Uani 1 1 d G U .
C15 C 0.1767(3) 0.7308(3) 0.3570(3) 0.064(3) Uani 1 1 d G U .
C16 C 0.3530(6) 0.7241(8) 0.4507(7) 0.128(5) Uani 1 1 d . U .
H16A H 0.3636 0.7706 0.4338 0.192 Uiso 1 1 calc R U .
H16B H 0.3802 0.6808 0.4532 0.192 Uiso 1 1 calc R U .
H16C H 0.3602 0.7347 0.4956 0.192 Uiso 1 1 calc R U .
C17 C 0.1683(5) 0.5286(5) 0.4107(4) 0.055(2) Uani 1 1 d . U .
C18 C 0.1745(3) 0.4760(3) 0.4658(3) 0.059(2) Uani 1 1 d G U .
C19 C 0.1238(3) 0.4707(4) 0.4784(3) 0.086(3) Uani 1 1 d G U .
H19 H 0.0871 0.5022 0.4538 0.104 Uiso 1 1 calc R U .
C20 C 0.1282(3) 0.4183(5) 0.5279(4) 0.104(4) Uani 1 1 d G U .
H20 H 0.0943 0.4148 0.5364 0.124 Uiso 1 1 calc R U .
C21 C 0.1831(4) 0.3712(4) 0.5647(3) 0.104(4) Uani 1 1 d G U .
H21 H 0.1860 0.3361 0.5978 0.125 Uiso 1 1 calc R U .
C22 C 0.2338(3) 0.3764(4) 0.5521(3) 0.096(4) Uani 1 1 d G U .
H22 H 0.2705 0.3449 0.5767 0.115 Uiso 1 1 calc R U .
C23 C 0.2294(3) 0.4288(4) 0.5026(3) 0.069(3) Uani 1 1 d G U .
H23 H 0.2633 0.4324 0.4941 0.083 Uiso 1 1 calc R U .
C24 C 0.3457(5) 0.4794(8) 0.4249(6) 0.077(3) Uani 1 1 d . U .
C25 C 0.3933(4) 0.4250(5) 0.4779(4) 0.083(3) Uani 1 1 d G U .
C26 C 0.3817(4) 0.3438(6) 0.4748(4) 0.124(5) Uani 1 1 d G U .
H26 H 0.3423 0.3232 0.4403 0.149 Uiso 1 1 calc R U .
C27 C 0.4288(6) 0.2934(4) 0.5234(5) 0.149(6) Uani 1 1 d G U .
H27 H 0.4211 0.2390 0.5213 0.179 Uiso 1 1 calc R U .
C28 C 0.4877(5) 0.3242(6) 0.5750(5) 0.140(5) Uani 1 1 d G U .
H28 H 0.5193 0.2904 0.6075 0.168 Uiso 1 1 calc R U .
C29 C 0.4993(4) 0.4054(7) 0.5781(4) 0.133(5) Uani 1 1 d G U .
H29 H 0.5387 0.4260 0.6127 0.159 Uiso 1 1 calc R U .
C30 C 0.4521(5) 0.4558(5) 0.5295(5) 0.132(5) Uani 1 1 d G U .
H30 H 0.4599 0.5102 0.5316 0.158 Uiso 1 1 calc R U .
C31 C 0.3019(6) 0.6696(6) 0.2676(5) 0.072(3) Uani 1 1 d . U .
C32 C 0.3284(3) 0.7155(4) 0.2316(3) 0.073(3) Uani 1 1 d G U .
C33 C 0.2994(3) 0.7859(4) 0.1976(4) 0.077(3) Uani 1 1 d G U .
H33 H 0.2641 0.8063 0.1990 0.093 Uiso 1 1 calc R U .
C34 C 0.3232(4) 0.8259(4) 0.1616(4) 0.099(4) Uani 1 1 d G U .
H34 H 0.3038 0.8731 0.1389 0.119 Uiso 1 1 calc R U .
C35 C 0.3760(4) 0.7955(5) 0.1596(4) 0.104(4) Uani 1 1 d G U .
H35 H 0.3919 0.8222 0.1356 0.125 Uiso 1 1 calc R U .
C36 C 0.4050(3) 0.7250(5) 0.1936(4) 0.106(4) Uani 1 1 d G U .
H36 H 0.4403 0.7046 0.1923 0.127 Uiso 1 1 calc R U .
C37 C 0.3812(3) 0.6850(4) 0.2296(4) 0.097(4) Uani 1 1 d G U .
H37 H 0.4006 0.6379 0.2523 0.117 Uiso 1 1 calc R U .
C38 C 0.1116(12) 0.8286(9) 0.1792(13) 0.249(12) Uani 1 1 d D U .
H38A H 0.1484 0.8590 0.2121 0.374 Uiso 1 1 calc R U .
H38B H 0.0838 0.8181 0.1970 0.374 Uiso 1 1 calc R U .
H38C H 0.0880 0.8580 0.1371 0.374 Uiso 1 1 calc R U .
C39 C 0.0076(6) 0.6387(7) 0.1079(5) 0.099(4) Uani 1 1 d . U .
H39A H 0.0169 0.6081 0.0784 0.148 Uiso 1 1 calc R U .
H39B H -0.0048 0.6916 0.0900 0.148 Uiso 1 1 calc R U .
H39C H -0.0273 0.6142 0.1102 0.148 Uiso 1 1 calc R U .
Dy1 Dy 0.25055(2) 0.58117(3) 0.33334(2) 0.0680(2) Uani 1 1 d . . .
N1 N 0.0339(3) 0.6943(4) 0.2722(3) 0.0519(17) Uani 1 1 d . . .
N2 N 0.0231(3) 0.5138(4) 0.2401(3) 0.0495(16) Uani 1 1 d . . .
Ni Ni 0.08904(5) 0.60156(6) 0.27454(5) 0.0505(3) Uani 1 1 d . . .
O1 O 0.2865(3) 0.7038(4) 0.4052(3) 0.084(2) Uani 1 1 d . U .
O2 O 0.1673(3) 0.6711(4) 0.3157(3) 0.0629(16) Uani 1 1 d . U .
O3 O 0.1498(3) 0.5269(3) 0.2658(3) 0.0550(14) Uani 1 1 d . U .
O4 O 0.2274(3) 0.4996(4) 0.2225(3) 0.0783(19) Uani 1 1 d . U .
O5 O 0.2451(3) 0.6838(4) 0.2547(3) 0.084(2) Uani 1 1 d . U .
O6 O 0.3355(3) 0.6178(5) 0.3103(4) 0.093(2) Uani 1 1 d . U .
O7 O 0.3008(3) 0.4510(5) 0.3677(4) 0.092(2) Uani 1 1 d . U .
O8 O 0.3484(3) 0.5514(6) 0.4377(4) 0.091(2) Uani 1 1 d . U .
O9 O 0.2197(3) 0.5395(4) 0.4095(3) 0.0683(17) Uani 1 1 d . U .
O10 O 0.1145(3) 0.5604(3) 0.3705(3) 0.0570(15) Uani 1 1 d . U .
O11 O 0.0630(3) 0.6420(4) 0.1738(3) 0.0730(18) Uani 1 1 d D U .
H11A H 0.0816 0.6845 0.1789 0.109 Uiso 1 1 calc DR U .
O12 O 0.1332(5) 0.7555(7) 0.1664(6) 0.147(4) Uani 1 1 d D U .
H12A H 0.1711 0.7476 0.1966 0.220 Uiso 1 1 calc R U .
O13 O 0.0000 0.967(2) 0.2500 0.47(3) Uani 1 2 d S TU P
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'
Ni Ni 0.3393 1.1124 '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'
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
O4 C2 C3 124.4(5) . .
O4 C2 C7 115.6(5) . .
C3 C2 C7 120.0 . .
C4 C3 C2 120.0 . .
C3 C4 C5 120.0 . .
C6 C5 C4 120.0 . .
C5 C6 C7 120.0 . .
C5 C6 C8 117.1(6) . .
C7 C6 C8 122.9(6) . .
O3 C7 C6 124.0(5) . .
O3 C7 C2 116.0(5) . .
C6 C7 C2 120.0 . .
N2 C8 C6 124.4(8) . .
N1 C9 C10 126.7(8) . .
C11 C10 C15 120.0 . .
C11 C10 C9 115.0(6) . .
C15 C10 C9 125.0(6) . .
C12 C11 C10 120.0 . .
C11 C12 C13 120.0 . .
C14 C13 C12 120.0 . .
O1 C14 C13 124.4(6) . .
O1 C14 C15 115.5(6) . .
C13 C14 C15 120.0 . .
O2 C15 C14 117.1(6) . .
O2 C15 C10 122.8(6) . .
C14 C15 C10 120.0 . .
O10 C17 O9 125.1(8) . .
O10 C17 C18 119.2(7) . .
O9 C17 C18 115.7(8) . .
C19 C18 C23 120.0 . .
C19 C18 C17 119.9(6) . .
C23 C18 C17 120.1(6) . .
C18 C19 C20 120.0 . .
C21 C20 C19 120.0 . .
C22 C21 C20 120.0 . .
C21 C22 C23 120.0 . .
C22 C23 C18 120.0 . .
O8 C24 O7 121.1(11) . .
O8 C24 C25 119.4(11) . .
O7 C24 C25 119.4(11) . .
O8 C24 Dy1 59.4(6) . .
O7 C24 Dy1 61.8(6) . .
C25 C24 Dy1 174.2(7) . .
C26 C25 C30 120.0 . .
C26 C25 C24 121.2(9) . .
C30 C25 C24 118.7(8) . .
C27 C26 C25 120.0 . .
C26 C27 C28 120.0 . .
C29 C28 C27 120.0 . .
C28 C29 C30 120.0 . .
C29 C30 C25 120.0 . .
O6 C31 O5 120.1(9) . .
O6 C31 C32 120.3(10) . .
O5 C31 C32 119.6(9) . .
O6 C31 Dy1 59.9(5) . .
O5 C31 Dy1 60.2(5) . .
C32 C31 Dy1 178.9(7) . .
C33 C32 C37 120.0 . .
C33 C32 C31 121.0(7) . .
C37 C32 C31 119.0(7) . .
C34 C33 C32 120.0 . .
C33 C34 C35 120.0 . .
C36 C35 C34 120.0 . .
C35 C36 C37 120.0 . .
C36 C37 C32 120.0 . .
O3 Dy1 O9 75.20(19) . .
O3 Dy1 O2 68.5(2) . .
O9 Dy1 O2 75.7(2) . .
O3 Dy1 O8 138.2(2) . .
O9 Dy1 O8 73.9(2) . .
O2 Dy1 O8 128.1(3) . .
O3 Dy1 O7 91.9(2) . .
O9 Dy1 O7 77.5(2) . .
O2 Dy1 O7 150.0(2) . .
O8 Dy1 O7 54.4(3) . .
O3 Dy1 O6 132.2(2) . .
O9 Dy1 O6 149.9(2) . .
O2 Dy1 O6 122.0(2) . .
O8 Dy1 O6 76.2(2) . .
O7 Dy1 O6 88.0(3) . .
O3 Dy1 O5 98.8(2) . .
O9 Dy1 O5 147.7(2) . .
O2 Dy1 O5 72.7(2) . .
O8 Dy1 O5 122.1(2) . .
O7 Dy1 O5 134.8(2) . .
O6 Dy1 O5 52.9(2) . .
O3 Dy1 O1 131.3(2) . .
O9 Dy1 O1 84.1(2) . .
O2 Dy1 O1 63.8(2) . .
O8 Dy1 O1 72.0(3) . .
O7 Dy1 O1 126.1(2) . .
O6 Dy1 O1 83.4(3) . .
O5 Dy1 O1 76.3(2) . .
O3 Dy1 O4 61.73(19) . .
O9 Dy1 O4 124.0(2) . .
O2 Dy1 O4 115.04(19) . .
O8 Dy1 O4 116.8(3) . .
O7 Dy1 O4 70.5(2) . .
O6 Dy1 O4 73.5(2) . .
O5 Dy1 O4 76.5(2) . .
O1 Dy1 O4 151.5(2) . .
O3 Dy1 C24 116.0(3) . .
O9 Dy1 C24 73.0(3) . .
O2 Dy1 C24 145.5(3) . .
O8 Dy1 C24 26.7(3) . .
O7 Dy1 C24 27.7(3) . .
O6 Dy1 C24 81.9(3) . .
O5 Dy1 C24 134.7(3) . .
O1 Dy1 C24 98.5(3) . .
O4 Dy1 C24 94.6(3) . .
O3 Dy1 C31 117.3(3) . .
O9 Dy1 C31 163.2(3) . .
O2 Dy1 C31 97.8(3) . .
O8 Dy1 C31 99.4(3) . .
O7 Dy1 C31 111.6(3) . .
O6 Dy1 C31 26.2(3) . .
O5 Dy1 C31 26.7(3) . .
O1 Dy1 C31 79.1(3) . .
O4 Dy1 C31 72.8(3) . .
C24 Dy1 C31 108.1(3) . .
O3 Dy1 Ni 34.85(14) . .
O9 Dy1 Ni 65.46(15) . .
O2 Dy1 Ni 34.83(14) . .
O8 Dy1 Ni 138.78(17) . .
O7 Dy1 Ni 119.56(17) . .
O6 Dy1 Ni 143.31(17) . .
O5 Dy1 Ni 91.25(16) . .
O1 Dy1 Ni 96.47(17) . .
O4 Dy1 Ni 92.39(13) . .
C24 Dy1 Ni 133.8(2) . .
C31 Dy1 Ni 117.6(2) . .
C9 N1 N1 116.0(6) . 2
C9 N1 Ni 122.8(6) . .
N1 N1 Ni 121.2(3) 2 .
C8 N2 N2 116.6(6) . 2
C8 N2 Ni 125.2(6) . .
N2 N2 Ni 118.2(4) 2 .
O2 Ni N2 168.6(3) . .
O2 Ni O3 81.7(2) . .
N2 Ni O3 88.2(2) . .
O2 Ni N1 90.3(3) . .
N2 Ni N1 100.5(3) . .
O3 Ni N1 167.0(2) . .
O2 Ni O10 90.5(2) . .
N2 Ni O10 84.8(2) . .
O3 Ni O10 93.5(2) . .
N1 Ni O10 96.8(2) . .
O2 Ni O11 89.9(2) . .
N2 Ni O11 94.6(3) . .
O3 Ni O11 85.4(2) . .
N1 Ni O11 84.4(3) . .
O10 Ni O11 178.7(3) . .
O2 Ni Dy1 42.84(19) . .
N2 Ni Dy1 126.11(18) . .
O3 Ni Dy1 40.39(16) . .
N1 Ni Dy1 133.14(19) . .
O10 Ni Dy1 84.01(17) . .
O11 Ni Dy1 95.49(19) . .
C14 O1 C16 117.9(9) . .
C14 O1 Dy1 118.5(5) . .
C16 O1 Dy1 123.5(8) . .
C15 O2 Ni 123.9(5) . .
C15 O2 Dy1 123.3(5) . .
Ni O2 Dy1 102.3(3) . .
C7 O3 Ni 119.6(4) . .
C7 O3 Dy1 130.9(4) . .
Ni O3 Dy1 104.8(2) . .
C2 O4 C1 116.4(8) . .
C2 O4 Dy1 115.4(4) . .
C1 O4 Dy1 126.5(7) . .
C31 O5 Dy1 93.1(6) . .
C31 O6 Dy1 93.9(6) . .
C24 O7 Dy1 90.5(7) . .
C24 O8 Dy1 93.9(7) . .
C17 O9 Dy1 139.0(5) . .
C17 O10 Ni 123.1(5) . .
C39 O11 Ni 136.1(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O4 1.446(11) .
C2 O4 1.357(8) .
C2 C3 1.3900 .
C2 C7 1.3900 .
C3 C4 1.3900 .
C4 C5 1.3900 .
C5 C6 1.3900 .
C6 C7 1.3900 .
C6 C8 1.437(10) .
C7 O3 1.328(7) .
C8 N2 1.267(10) .
C9 N1 1.285(10) .
C9 C10 1.434(10) .
C10 C11 1.3900 .
C10 C15 1.3900 .
C11 C12 1.3900 .
C12 C13 1.3900 .
C13 C14 1.3900 .
C14 O1 1.353(9) .
C14 C15 1.3900 .
C15 O2 1.311(7) .
C16 O1 1.427(12) .
C17 O10 1.254(10) .
C17 O9 1.264(10) .
C17 C18 1.477(9) .
C18 C19 1.3900 .
C18 C23 1.3900 .
C19 C20 1.3900 .
C20 C21 1.3900 .
C21 C22 1.3900 .
C22 C23 1.3900 .
C24 O8 1.241(12) .
C24 O7 1.279(13) .
C24 C25 1.474(12) .
C24 Dy1 2.754(11) .
C25 C26 1.3900 .
C25 C30 1.3900 .
C26 C27 1.3900 .
C27 C28 1.3900 .
C28 C29 1.3900 .
C29 C30 1.3900 .
C31 O6 1.243(12) .
C31 O5 1.262(12) .
C31 C32 1.486(10) .
C31 Dy1 2.807(10) .
C32 C33 1.3900 .
C32 C37 1.3900 .
C33 C34 1.3900 .
C34 C35 1.3900 .
C35 C36 1.3900 .
C36 C37 1.3900 .
C38 O12 1.422(9) .
C39 O11 1.400(11) .
Dy1 O3 2.283(5) .
Dy1 O9 2.316(6) .
Dy1 O2 2.372(6) .
Dy1 O8 2.376(7) .
Dy1 O7 2.427(8) .
Dy1 O6 2.433(6) .
Dy1 O5 2.440(6) .
Dy1 O1 2.494(7) .
Dy1 O4 2.664(6) .
Dy1 Ni 3.4074(13) .
N1 N1 1.404(13) 2
N1 Ni 2.030(7) .
N2 N2 1.397(12) 2
N2 Ni 2.006(6) .
Ni O2 1.992(6) .
Ni O3 2.013(5) .
Ni O10 2.058(5) .
Ni O11 2.149(6) .
