#------------------------------------------------------------------------------
#$Date: 2019-11-17 10:36:40 +0200 (Sun, 17 Nov 2019) $
#$Revision: 229378 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/48/7044814.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_7044814
loop_
_publ_author_name
'Dong, Hui-Ming'
'Zhang, Zhi-Chao'
'Li, Hai-Yan'
'Liu, Zhong-Yi'
'Yang, En-Cui'
'Zhao, Xiao-Jun'
_publ_section_title
;
 High-nuclear heterometallic oxime clusters assembled from triangular
 subunits: solvothermal syntheses, crystal structures and magnetic
 properties.
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              169
_journal_page_last               179
_journal_paper_doi               10.1039/c7dt03692b
_journal_volume                  47
_journal_year                    2017
_chemical_formula_sum            'C79 H114 Dy8 N54 Ni6 O51'
_chemical_formula_weight         4288.50
_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
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2016-03-10 deposited with the CCDC.
2017-11-20 downloaded from the CCDC.
;
_cell_angle_alpha                109.068(4)
_cell_angle_beta                 97.492(4)
_cell_angle_gamma                98.660(3)
_cell_formula_units_Z            1
_cell_length_a                   13.4776(6)
_cell_length_b                   16.9719(6)
_cell_length_c                   18.0802(8)
_cell_measurement_temperature    293(2)
_cell_volume                     3792.2(3)
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  none
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0604
_diffrn_reflns_av_unetI/netI     0.0908
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            27871
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         73.770
_diffrn_reflns_theta_min         3.867
_exptl_absorpt_coefficient_mu    22.209
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.878
_exptl_crystal_density_meas      ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2070
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.170
_exptl_crystal_size_min          0.160
_exptl_transmission_factor_max   0.125
_exptl_transmission_factor_min   0.108
_platon_squeeze_details          ' ?'
_refine_diff_density_max         3.779
_refine_diff_density_min         -1.573
_refine_diff_density_rms         0.358
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     797
_refine_ls_number_reflns         14683
_refine_ls_number_restraints     79
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.1718
_refine_ls_R_factor_gt           0.1135
_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)+(0.1837P)²+164.5032P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3423
_refine_ls_wR_factor_ref         0.3825
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8660
_reflns_number_total             14683
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7dt03692b2.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 7044813--7044818.cif.
;
_cod_original_cell_volume        3792.1(3)
_cod_database_code               7044814
_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   0.108
_shelx_estimated_absorpt_t_max   0.125
_shelxl_version_number           2013-2
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 0.59801(10) 0.49683(8) 0.64972(7) 0.0381(3) Uani 1 1 d . .
Dy2 Dy 0.56845(10) 0.62488(8) 0.53430(7) 0.0373(3) Uani 1 1 d . .
Dy3 Dy 0.54856(11) 0.26507(8) 0.57639(8) 0.0445(4) Uani 1 1 d . .
Dy4 Dy 0.21632(11) 0.30890(8) 0.30572(8) 0.0423(4) Uani 1 1 d . .
Ni1 Ni 0.3251(3) 0.1541(2) 0.3914(2) 0.0462(10) Uani 1 1 d . .
Ni2 Ni 0.6980(3) 0.5070(3) 0.8520(2) 0.0467(10) Uani 1 1 d . .
Ni3 Ni 0.2037(4) 0.1162(3) 0.1273(2) 0.0577(12) Uani 1 1 d . .
O1 O 0.1306(17) 0.2699(12) 0.1758(11) 0.068(6) Uani 1 1 d . .
O2 O 0.2477(15) 0.1776(11) 0.2332(10) 0.058(5) Uani 1 1 d . .
O3 O 0.4057(15) 0.1703(12) 0.5626(10) 0.059(5) Uani 1 1 d . .
O4 O 0.6486(14) 0.3843(9) 0.6811(10) 0.048(4) Uani 1 1 d . .
O5 O 0.5090(14) 0.5292(11) 0.7507(10) 0.054(4) Uani 1 1 d . .
O6 O 0.7653(11) 0.5650(8) 0.7232(9) 0.038(3) Uani 1 1 d . .
O7 O 0.0517(17) 0.2133(13) 0.3014(13) 0.071(5) Uani 1 1 d . U
O8 O 0.0611(16) 0.3472(13) 0.3446(12) 0.065(5) Uani 1 1 d . U
O9 O -0.085(3) 0.262(2) 0.314(2) 0.130(11) Uani 1 1 d . U
O10 O 0.2721(13) 0.2659(9) 0.4130(9) 0.044(4) Uani 1 1 d . .
H10 H 0.2254 0.2723 0.4508 0.053 Uiso 1 1 calc R U
O11 O 0.3913(11) 0.3483(8) 0.3224(9) 0.038(3) Uani 1 1 d . .
H11 H 0.4297 0.3155 0.2853 0.046 Uiso 1 1 calc R U
O12 O 0.4662(13) 0.2359(9) 0.4369(9) 0.045(4) Uani 1 1 d . .
H12 H 0.5138 0.2243 0.4000 0.054 Uiso 1 1 calc R U
O13 O 0.610(2) 0.1318(16) 0.5536(15) 0.086(7) Uani 1 1 d . U
O14 O 0.767(3) 0.117(2) 0.548(2) 0.135(11) Uani 1 1 d . U
O15 O 0.723(2) 0.2401(17) 0.5664(16) 0.097(8) Uani 1 1 d . U
O16 O 0.5988(12) 0.3866(10) 0.5339(9) 0.042(4) Uani 1 1 d . .
O17 O 0.5377(11) 0.4819(8) 0.4350(8) 0.035(3) Uani 1 1 d . .
O18 O 0.6959(12) 0.5638(9) 0.5784(8) 0.039(3) Uani 1 1 d . .
O19 O 0.5570(12) 0.6360(9) 0.4080(9) 0.041(4) Uani 1 1 d . .
H19 H 0.6166 0.6399 0.3826 0.049 Uiso 1 1 calc R U
N1 N 0.144(2) 0.0579(13) 0.0177(13) 0.066(7) Uani 1 1 d . .
N2 N 0.029(3) -0.0113(18) -0.1369(15) 0.091(10) Uani 1 1 d . .
N3 N 0.131(2) 0.1978(14) 0.1199(14) 0.070(8) Uani 1 1 d . .
N4 N 0.002(2) 0.2297(16) 0.0390(15) 0.076(8) Uani 1 1 d . .
H4A H -0.0602 0.2018 0.0140 0.091 Uiso 1 1 d R U
H4B H -0.0021 0.2661 0.0858 0.091 Uiso 1 1 d R U
N5 N 0.3909(19) 0.0482(13) 0.3432(13) 0.057(6) Uani 1 1 d . .
N6 N 0.495(3) -0.0747(18) 0.2670(17) 0.089(10) Uani 1 1 d . .
N7 N 0.3105(19) 0.1377(13) 0.2737(12) 0.054(6) Uani 1 1 d . .
N8 N 0.283(2) 0.0402(15) 0.1469(13) 0.070(7) Uani 1 1 d . .
H8A H 0.2932 -0.0047 0.1118 0.084 Uiso 1 1 calc R U
N9 N 0.1777(16) 0.0776(14) 0.3759(13) 0.052(5) Uani 1 1 d . .
N10 N 0.004(3) -0.032(3) 0.373(2) 0.119(12) Uani 1 1 d . U
N11 N 0.3291(15) 0.1420(13) 0.5004(11) 0.046(5) Uani 1 1 d . .
N12 N 0.237(2) 0.082(2) 0.5786(16) 0.085(9) Uani 1 1 d . .
H12A H 0.2364 0.0277 0.5739 0.101 Uiso 1 1 d R U
H12B H 0.2879 0.1124 0.6209 0.101 Uiso 1 1 d R U
N13 N 0.6119(17) 0.4335(14) 0.9038(13) 0.053(5) Uani 1 1 d . .
N14 N 0.511(3) 0.314(2) 0.956(2) 0.104(11) Uani 1 1 d . .
H14 H 0.4787 0.2775 0.9731 0.125 Uiso 1 1 calc R U
N15 N 0.6414(15) 0.3969(12) 0.7599(11) 0.042(4) Uani 1 1 d . .
N16 N 0.539(2) 0.2626(16) 0.7086(14) 0.066(7) Uani 1 1 d . .
H16 H 0.5095 0.2179 0.7158 0.079 Uiso 1 1 calc R U
N17 N 0.7312(16) 0.6273(13) 0.9461(11) 0.048(5) Uani 1 1 d . .
N18 N 0.755(2) 0.7903(18) 1.0517(16) 0.078(8) Uani 1 1 d . .
N19 N 0.5866(15) 0.5634(12) 0.8165(11) 0.041(4) Uani 1 1 d . .
N20 N 0.525(2) 0.6905(15) 0.8398(14) 0.062(6) Uani 1 1 d . .
H20A H 0.4710 0.6555 0.8080 0.074 Uiso 1 1 d R U
H20B H 0.5065 0.7231 0.8812 0.074 Uiso 1 1 d R U
N21 N 0.8314(18) 0.4673(13) 0.8884(12) 0.052(5) Uani 1 1 d . .
N26 N 0.011(2) 0.277(2) 0.3214(18) 0.082(8) Uani 1 1 d . U
N22 N 1.011(2) 0.4098(17) 0.9131(18) 0.073(7) Uani 1 1 d . .
N23 N 0.949(3) 0.527(2) 0.7428(18) 0.093(9) Uani 1 1 d . U
H23A H 0.9310 0.5442 0.7040 0.111 Uiso 1 1 calc R U
H23B H 1.0067 0.5126 0.7489 0.111 Uiso 1 1 calc R U
N24 N 0.7972(13) 0.5442(11) 0.7892(10) 0.034(4) Uani 1 1 d . .
N25 N 0.698(3) 0.161(2) 0.5560(19) 0.089(9) Uani 1 1 d . U
C1 C 0.070(3) 0.0984(18) -0.0089(16) 0.073(10) Uani 1 1 d . .
C2 C 0.157(3) -0.0137(18) -0.0325(18) 0.073(9) Uani 1 1 d . .
H2 H 0.2060 -0.0418 -0.0171 0.088 Uiso 1 1 calc R U
C3 C 0.096(3) -0.048(2) -0.1112(19) 0.091(12) Uani 1 1 d . .
H3 H 0.1056 -0.1000 -0.1457 0.109 Uiso 1 1 calc R U
C4 C 0.017(3) 0.061(2) -0.0835(19) 0.084(11) Uani 1 1 d . .
H4 H -0.0333 0.0878 -0.0996 0.100 Uiso 1 1 calc R U
C5 C 0.063(2) 0.1759(17) 0.0498(15) 0.059(7) Uani 1 1 d . .
C6 C 0.384(3) 0.0199(16) 0.2610(16) 0.067(9) Uani 1 1 d . .
C7 C 0.449(2) 0.0098(17) 0.3811(17) 0.060(7) Uani 1 1 d . .
H7 H 0.4568 0.0263 0.4362 0.072 Uiso 1 1 calc R U
C8 C 0.497(3) -0.0498(19) 0.344(2) 0.079(10) Uani 1 1 d . .
H8 H 0.5331 -0.0753 0.3743 0.095 Uiso 1 1 calc R U
C9 C 0.430(3) -0.042(2) 0.224(2) 0.086(11) Uani 1 1 d . .
H9 H 0.4184 -0.0629 0.1683 0.104 Uiso 1 1 calc R U
C10 C 0.320(2) 0.0683(18) 0.2240(16) 0.061(7) Uani 1 1 d . .
C11 C 0.166(2) 0.058(2) 0.4389(18) 0.067(8) Uani 1 1 d . .
C12 C 0.081(3) -0.002(2) 0.436(2) 0.088(10) Uani 1 1 d . U
H12C H 0.0771 -0.0199 0.4789 0.106 Uiso 1 1 calc R U
C13 C 0.016(4) -0.011(3) 0.310(3) 0.115(14) Uani 1 1 d . U
H13 H -0.0350 -0.0335 0.2643 0.138 Uiso 1 1 calc R U
C14 C 0.104(3) 0.046(2) 0.313(2) 0.074(8) Uani 1 1 d . U
H14A H 0.1114 0.0610 0.2686 0.089 Uiso 1 1 calc R U
C15 C 0.250(3) 0.094(2) 0.5065(15) 0.064(8) Uani 1 1 d . .
C16 C 0.573(2) 0.3523(19) 0.8524(16) 0.057(7) Uani 1 1 d . .
C18 C 0.552(3) 0.392(3) 1.006(2) 0.085(11) Uani 1 1 d . .
H18 H 0.5479 0.4068 1.0591 0.102 Uiso 1 1 calc R U
C20 C 0.583(2) 0.3339(18) 0.7693(17) 0.056(7) Uani 1 1 d . .
C21 C 0.673(2) 0.6820(16) 0.9345(16) 0.056(7) Uani 1 1 d . .
C22 C 0.799(2) 0.658(2) 1.0129(18) 0.066(8) Uani 1 1 d . .
H22 H 0.8413 0.6239 1.0243 0.079 Uiso 1 1 calc R U
C23 C 0.810(3) 0.737(2) 1.066(2) 0.085(11) Uani 1 1 d . .
H23 H 0.8570 0.7549 1.1132 0.103 Uiso 1 1 calc R U
C24 C 0.683(3) 0.7611(18) 0.9862(19) 0.070(8) Uani 1 1 d . .
H24 H 0.6404 0.7959 0.9760 0.084 Uiso 1 1 calc R U
C25 C 0.592(2) 0.6449(17) 0.8622(18) 0.057(7) Uani 1 1 d . .
C26 C 0.904(2) 0.4818(16) 0.8527(16) 0.053(6) Uani 1 1 d . .
C27 C 0.841(3) 0.4196(19) 0.9360(19) 0.070(9) Uani 1 1 d . .
H27 H 0.7873 0.4040 0.9596 0.084 Uiso 1 1 calc R U
C28 C 0.938(3) 0.3948(19) 0.947(2) 0.073(9) Uani 1 1 d . .
H28 H 0.9476 0.3658 0.9824 0.087 Uiso 1 1 calc R U
C29 C 0.998(2) 0.452(3) 0.861(2) 0.093(12) Uani 1 1 d . .
H29 H 1.0471 0.4602 0.8311 0.111 Uiso 1 1 calc R U
C30 C 0.8864(18) 0.5236(19) 0.7931(17) 0.055(7) Uani 1 1 d . .
C31 C 0.685(2) 0.3832(14) 0.5002(13) 0.045(6) Uani 1 1 d . .
H31A H 0.6777 0.3260 0.4622 0.054 Uiso 1 1 calc R U
H31B H 0.7434 0.3925 0.5419 0.054 Uiso 1 1 calc R U
C32 C 0.755(2) 0.5363(16) 0.5200(15) 0.050(6) Uani 1 1 d . .
H32A H 0.8227 0.5367 0.5464 0.060 Uiso 1 1 calc R U
H32B H 0.7629 0.5769 0.4928 0.060 Uiso 1 1 calc R U
C33 C 0.6209(16) 0.4466(12) 0.4015(13) 0.035(4) Uani 1 1 d . .
H33A H 0.6443 0.4780 0.3687 0.042 Uiso 1 1 calc R U
H33B H 0.5931 0.3882 0.3665 0.042 Uiso 1 1 calc R U
C34 C 0.711(2) 0.4467(15) 0.4572(14) 0.047(6) Uani 1 1 d . .
C35 C 0.792(2) 0.4177(19) 0.4083(18) 0.063(7) Uani 1 1 d . U
H35A H 0.8436 0.4037 0.4420 0.075 Uiso 1 1 calc R U
H35B H 0.7599 0.3655 0.3643 0.075 Uiso 1 1 calc R U
C36 C 0.844(3) 0.475(2) 0.376(2) 0.091(10) Uani 1 1 d . U
H36A H 0.7952 0.4891 0.3410 0.136 Uiso 1 1 calc R U
H36B H 0.8922 0.4491 0.3466 0.136 Uiso 1 1 calc R U
H36C H 0.8799 0.5267 0.4186 0.136 Uiso 1 1 calc R U
C17 C 0.603(2) 0.451(2) 0.9786(18) 0.064(7) Uani 1 1 d . .
H17 H 0.6312 0.5056 1.0148 0.077 Uiso 1 1 calc R U
C19 C 0.520(3) 0.292(2) 0.8790(19) 0.078(10) Uani 1 1 d . .
H19A H 0.4919 0.2369 0.8435 0.093 Uiso 1 1 calc R U
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 -9.8046 9.8477 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni -3.0029 0.5091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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
O5 Dy1 O16 140.2(6) . .
O5 Dy1 O4 92.9(6) . .
O16 Dy1 O4 70.3(5) . .
O5 Dy1 O6 99.4(6) . .
O16 Dy1 O6 112.2(6) . .
O4 Dy1 O6 80.2(5) . .
O5 Dy1 O18 140.6(6) . .
O16 Dy1 O18 76.2(5) . .
O4 Dy1 O18 119.6(6) . .
O6 Dy1 O18 68.1(5) . .
O5 Dy1 O17 89.2(6) . 2_666
O16 Dy1 O17 81.5(5) . 2_666
O4 Dy1 O17 138.0(5) . 2_666
O6 Dy1 O17 140.7(4) . 2_666
O18 Dy1 O17 80.9(5) . 2_666
O5 Dy1 O11 79.4(6) . 2_666
O16 Dy1 O11 131.3(5) . 2_666
O4 Dy1 O11 151.4(5) . 2_666
O6 Dy1 O11 74.1(5) . 2_666
O18 Dy1 O11 61.3(5) . 2_666
O17 Dy1 O11 69.9(5) 2_666 2_666
O5 Dy1 O19 80.5(6) . 2_666
O16 Dy1 O19 60.1(5) . 2_666
O4 Dy1 O19 71.7(5) . 2_666
O6 Dy1 O19 151.9(4) . 2_666
O18 Dy1 O19 128.3(5) . 2_666
O17 Dy1 O19 67.3(4) 2_666 2_666
O11 Dy1 O19 132.6(5) 2_666 2_666
O5 Dy1 Dy2 111.1(4) . .
O16 Dy1 Dy2 87.9(3) . .
O4 Dy1 Dy2 155.7(4) . .
O6 Dy1 Dy2 99.0(3) . .
O18 Dy1 Dy2 41.2(3) . .
O17 Dy1 Dy2 43.0(3) 2_666 .
O11 Dy1 Dy2 44.5(3) 2_666 .
O19 Dy1 Dy2 107.3(3) 2_666 .
O5 Dy1 Dy2 110.8(5) . 2_666
O16 Dy1 Dy2 41.5(4) . 2_666
O4 Dy1 Dy2 97.9(4) . 2_666
O6 Dy1 Dy2 149.8(4) . 2_666
O18 Dy1 Dy2 87.7(4) . 2_666
O17 Dy1 Dy2 43.3(3) 2_666 2_666
O11 Dy1 Dy2 110.6(3) 2_666 2_666
O19 Dy1 Dy2 41.3(3) 2_666 2_666
Dy2 Dy1 Dy2 70.53(4) . 2_666
O5 Dy1 Dy4 103.5(5) . 2_666
O16 Dy1 Dy4 116.3(4) . 2_666
O4 Dy1 Dy4 119.3(4) . 2_666
O6 Dy1 Dy4 39.9(3) . 2_666
O18 Dy1 Dy4 42.8(4) . 2_666
O17 Dy1 Dy4 100.8(3) 2_666 2_666
O11 Dy1 Dy4 39.2(4) 2_666 2_666
O19 Dy1 Dy4 167.6(3) 2_666 2_666
Dy2 Dy1 Dy4 60.27(3) . 2_666
Dy2 Dy1 Dy4 127.40(4) 2_666 2_666
O5 Dy1 Dy3 103.3(4) . .
O16 Dy1 Dy3 41.8(3) . .
O4 Dy1 Dy3 39.1(4) . .
O6 Dy1 Dy3 115.0(3) . .
O18 Dy1 Dy3 116.0(4) . .
O17 Dy1 Dy3 99.8(3) 2_666 .
O11 Dy1 Dy3 169.5(3) 2_666 .
O19 Dy1 Dy3 39.7(3) 2_666 .
Dy2 Dy1 Dy3 126.22(5) . .
Dy2 Dy1 Dy3 58.94(3) 2_666 .
Dy4 Dy1 Dy3 146.25(5) 2_666 .
O18 Dy2 O19 119.2(5) . .
O18 Dy2 O16 151.0(5) . 2_666
O19 Dy2 O16 64.1(5) . 2_666
O18 Dy2 O12 136.9(5) . 2_666
O19 Dy2 O12 79.6(5) . 2_666
O16 Dy2 O12 71.4(5) 2_666 2_666
O18 Dy2 O17 81.8(5) . 2_666
O19 Dy2 O17 124.8(5) . 2_666
O16 Dy2 O17 74.9(5) 2_666 2_666
O12 Dy2 O17 121.0(5) 2_666 2_666
O18 Dy2 O17 75.6(5) . .
O19 Dy2 O17 71.6(5) . .
O16 Dy2 O17 79.0(5) 2_666 .
O12 Dy2 O17 145.5(5) 2_666 .
O17 Dy2 O17 65.4(6) 2_666 .
O18 Dy2 O11 62.6(5) . 2_666
O19 Dy2 O11 164.6(5) . 2_666
O16 Dy2 O11 122.7(5) 2_666 2_666
O12 Dy2 O11 89.5(5) 2_666 2_666
O17 Dy2 O11 70.3(4) 2_666 2_666
O17 Dy2 O11 122.0(4) . 2_666
O18 Dy2 O10 71.8(5) . 2_666
O19 Dy2 O10 91.9(5) . 2_666
O16 Dy2 O10 136.7(5) 2_666 2_666
O12 Dy2 O10 69.0(5) 2_666 2_666
O17 Dy2 O10 142.3(5) 2_666 2_666
O17 Dy2 O10 129.3(5) . 2_666
O11 Dy2 O10 73.9(4) 2_666 2_666
O18 Dy2 Dy1 42.4(4) . .
O19 Dy2 Dy1 147.3(4) . .
O16 Dy2 Dy1 117.6(3) 2_666 .
O12 Dy2 Dy1 132.9(4) 2_666 .
O17 Dy2 Dy1 42.6(3) 2_666 .
O17 Dy2 Dy1 76.8(3) . .
O11 Dy2 Dy1 45.3(3) 2_666 .
O10 Dy2 Dy1 102.1(3) 2_666 .
O18 Dy2 Dy3 156.6(4) . 2_666
O19 Dy2 Dy3 40.8(4) . 2_666
O16 Dy2 Dy3 44.0(3) 2_666 2_666
O12 Dy2 Dy3 44.3(4) 2_666 2_666
O17 Dy2 Dy3 118.6(3) 2_666 2_666
O17 Dy2 Dy3 101.5(3) . 2_666
O11 Dy2 Dy3 132.5(3) 2_666 2_666
O10 Dy2 Dy3 94.0(3) 2_666 2_666
Dy1 Dy2 Dy3 160.46(6) . 2_666
O18 Dy2 Dy1 117.5(4) . 2_666
O19 Dy2 Dy1 48.4(4) . 2_666
O16 Dy2 Dy1 40.2(4) 2_666 2_666
O12 Dy2 Dy1 104.0(4) 2_666 2_666
O17 Dy2 Dy1 76.4(3) 2_666 2_666
O17 Dy2 Dy1 42.0(3) . 2_666
O11 Dy2 Dy1 146.3(3) 2_666 2_666
O10 Dy2 Dy1 139.7(3) 2_666 2_666
Dy1 Dy2 Dy1 109.46(4) . 2_666
Dy3 Dy2 Dy1 61.92(4) 2_666 2_666
O18 Dy2 Dy4 43.4(4) . 2_666
O19 Dy2 Dy4 129.5(4) . 2_666
O16 Dy2 Dy4 159.0(4) 2_666 2_666
O12 Dy2 Dy4 94.0(4) 2_666 2_666
O17 Dy2 Dy4 101.5(3) 2_666 2_666
O17 Dy2 Dy4 118.9(3) . 2_666
O11 Dy2 Dy4 39.8(4) 2_666 2_666
O10 Dy2 Dy4 41.1(3) 2_666 2_666
Dy1 Dy2 Dy4 61.41(3) . 2_666
Dy3 Dy2 Dy4 132.30(5) 2_666 2_666
Dy1 Dy2 Dy4 160.16(5) 2_666 2_666
O3 Dy3 O19 85.4(6) . 2_666
O3 Dy3 O4 135.1(6) . .
O19 Dy3 O4 77.5(6) 2_666 .
O3 Dy3 N16 73.8(7) . .
O19 Dy3 N16 90.6(7) 2_666 .
O4 Dy3 N16 65.3(7) . .
O3 Dy3 O13 77.1(8) . .
O19 Dy3 O13 162.5(7) 2_666 .
O4 Dy3 O13 115.8(7) . .
N16 Dy3 O13 85.5(8) . .
O3 Dy3 O16 137.6(5) . .
O19 Dy3 O16 62.8(5) 2_666 .
O4 Dy3 O16 67.5(5) . .
N16 Dy3 O16 129.7(7) . .
O13 Dy3 O16 131.4(7) . .
O3 Dy3 O15 128.5(8) . .
O19 Dy3 O15 146.0(7) 2_666 .
O4 Dy3 O15 78.4(8) . .
N16 Dy3 O15 100.7(9) . .
O13 Dy3 O15 51.4(9) . .
O16 Dy3 O15 85.9(7) . .
O3 Dy3 O12 78.4(5) . .
O19 Dy3 O12 77.9(5) 2_666 .
O4 Dy3 O12 135.5(5) . .
N16 Dy3 O12 150.6(7) . .
O13 Dy3 O12 97.5(7) . .
O16 Dy3 O12 68.4(5) . .
O15 Dy3 O12 103.9(8) . .
O3 Dy3 Dy2 95.5(4) . 2_666
O19 Dy3 Dy2 40.9(3) 2_666 2_666
O4 Dy3 Dy2 97.8(3) . 2_666
N16 Dy3 Dy2 131.4(6) . 2_666
O13 Dy3 Dy2 139.3(6) . 2_666
O16 Dy3 Dy2 42.0(4) . 2_666
O15 Dy3 Dy2 120.9(6) . 2_666
O12 Dy3 Dy2 42.2(4) . 2_666
O3 Dy3 Dy1 130.2(5) . .
O19 Dy3 Dy1 46.6(4) 2_666 .
O4 Dy3 Dy1 38.8(3) . .
N16 Dy3 Dy1 91.6(6) . .
O13 Dy3 Dy1 150.4(6) . .
O16 Dy3 Dy1 38.8(4) . .
O15 Dy3 Dy1 100.7(6) . .
O12 Dy3 Dy1 99.3(3) . .
Dy2 Dy3 Dy1 59.13(3) 2_666 .
O11 Dy4 O1 114.1(7) . .
O11 Dy4 O2 81.9(6) . .
O1 Dy4 O2 72.0(6) . .
O11 Dy4 O6 78.0(5) . 2_666
O1 Dy4 O6 74.5(6) . 2_666
O2 Dy4 O6 128.9(6) . 2_666
O11 Dy4 O10 78.6(5) . .
O1 Dy4 O10 147.8(6) . .
O2 Dy4 O10 81.3(5) . .
O6 Dy4 O10 137.6(5) 2_666 .
O11 Dy4 O8 147.2(6) . .
O1 Dy4 O8 86.3(8) . .
O2 Dy4 O8 130.2(7) . .
O6 Dy4 O8 83.8(6) 2_666 .
O10 Dy4 O8 97.8(6) . .
O11 Dy4 O18 62.6(5) . 2_666
O1 Dy4 O18 141.1(5) . 2_666
O2 Dy4 O18 138.2(6) . 2_666
O6 Dy4 O18 66.9(5) 2_666 2_666
O10 Dy4 O18 71.1(5) . 2_666
O8 Dy4 O18 85.3(6) . 2_666
O11 Dy4 O7 154.9(6) . .
O1 Dy4 O7 76.5(7) . .
O2 Dy4 O7 80.1(7) . .
O6 Dy4 O7 127.2(6) 2_666 .
O10 Dy4 O7 81.5(6) . .
O8 Dy4 O7 51.0(7) . .
O18 Dy4 O7 124.2(6) 2_666 .
O11 Dy4 Dy2 42.9(4) . 2_666
O1 Dy4 Dy2 157.0(6) . 2_666
O2 Dy4 Dy2 98.6(4) . 2_666
O6 Dy4 Dy2 97.5(3) 2_666 2_666
O10 Dy4 Dy2 43.4(4) . 2_666
O8 Dy4 Dy2 114.7(5) . 2_666
O18 Dy4 Dy2 40.2(3) 2_666 2_666
O7 Dy4 Dy2 123.6(5) . 2_666
O11 Dy4 Dy1 43.0(3) . 2_666
O1 Dy4 Dy1 107.8(5) . 2_666
O2 Dy4 Dy1 121.1(5) . 2_666
O6 Dy4 Dy1 40.3(3) 2_666 2_666
O10 Dy4 Dy1 101.3(4) . 2_666
O8 Dy4 Dy1 107.9(5) . 2_666
O18 Dy4 Dy1 40.8(3) 2_666 2_666
O7 Dy4 Dy1 158.8(5) . 2_666
Dy2 Dy4 Dy1 58.32(3) 2_666 2_666
N7 Ni1 N11 167.3(9) . .
N7 Ni1 O10 90.3(7) . .
N11 Ni1 O10 99.7(8) . .
N7 Ni1 O12 101.0(9) . .
N11 Ni1 O12 87.9(7) . .
O10 Ni1 O12 83.3(7) . .
N7 Ni1 N5 75.6(8) . .
N11 Ni1 N5 95.1(8) . .
O10 Ni1 N5 164.4(7) . .
O12 Ni1 N5 92.6(8) . .
N7 Ni1 N9 93.4(9) . .
N11 Ni1 N9 78.3(8) . .
O10 Ni1 N9 94.1(8) . .
O12 Ni1 N9 165.3(7) . .
N5 Ni1 N9 93.5(9) . .
N15 Ni2 N24 90.5(8) . .
N15 Ni2 N19 92.1(8) . .
N24 Ni2 N19 94.8(7) . .
N15 Ni2 N13 77.4(9) . .
N24 Ni2 N13 162.2(8) . .
N19 Ni2 N13 98.6(8) . .
N15 Ni2 N21 93.9(8) . .
N24 Ni2 N21 77.0(8) . .
N19 Ni2 N21 169.9(8) . .
N13 Ni2 N21 90.7(8) . .
N15 Ni2 N17 169.9(8) . .
N24 Ni2 N17 94.3(8) . .
N19 Ni2 N17 78.6(8) . .
N13 Ni2 N17 99.8(9) . .
N21 Ni2 N17 95.9(8) . .
O2 Ni3 N3 88.8(9) . .
O2 Ni3 N8 84.9(9) . .
N3 Ni3 N8 173.7(10) . .
O2 Ni3 N1 173.5(11) . .
N3 Ni3 N1 85.3(10) . .
N8 Ni3 N1 101.0(10) . .
N3 O1 Dy4 123.1(14) . .
N7 O2 Ni3 113.3(14) . .
N7 O2 Dy4 118.5(13) . .
Ni3 O2 Dy4 128.1(8) . .
N11 O3 Dy3 125.0(12) . .
N15 O4 Dy1 108.3(11) . .
N15 O4 Dy3 121.2(12) . .
Dy1 O4 Dy3 102.2(6) . .
N19 O5 Dy1 101.6(13) . .
N24 O6 Dy4 135.0(11) . 2_666
N24 O6 Dy1 116.6(10) . .
Dy4 O6 Dy1 99.8(5) 2_666 .
N26 O7 Dy4 90.0(19) . .
N26 O8 Dy4 97.1(19) . .
Ni1 O10 Dy4 119.9(7) . .
Ni1 O10 Dy2 102.4(7) . 2_666
Dy4 O10 Dy2 95.5(5) . 2_666
Ni1 O10 H10 112.4 . .
Dy4 O10 H10 112.4 . .
Dy2 O10 H10 112.4 2_666 .
Dy4 O11 Dy2 97.3(6) . 2_666
Dy4 O11 Dy1 97.8(6) . 2_666
Dy2 O11 Dy1 90.3(5) 2_666 2_666
Dy4 O11 H11 121.5 . .
Dy2 O11 H11 121.5 2_666 .
Dy1 O11 H11 121.5 2_666 .
Ni1 O12 Dy2 105.2(7) . 2_666
Ni1 O12 Dy3 119.0(7) . .
Dy2 O12 Dy3 93.4(5) 2_666 .
Ni1 O12 H12 112.4 . .
Dy2 O12 H12 112.4 2_666 .
Dy3 O12 H12 112.4 . .
N25 O13 Dy3 97(2) . .
N25 O15 Dy3 94(2) . .
C31 O16 Dy1 120.7(14) . .
C31 O16 Dy2 125.4(12) . 2_666
Dy1 O16 Dy2 98.3(6) . 2_666
C31 O16 Dy3 113.3(11) . .
Dy1 O16 Dy3 99.4(5) . .
Dy2 O16 Dy3 94.0(5) 2_666 .
C33 O17 Dy1 119.7(11) . 2_666
C33 O17 Dy2 108.8(10) . 2_666
Dy1 O17 Dy2 94.4(5) 2_666 2_666
C33 O17 Dy2 121.3(11) . .
Dy1 O17 Dy2 94.7(4) 2_666 .
Dy2 O17 Dy2 114.6(6) 2_666 .
C32 O18 Dy2 111.1(13) . .
C32 O18 Dy1 134.8(13) . .
Dy2 O18 Dy1 96.3(6) . .
C32 O18 Dy4 114.5(14) . 2_666
Dy2 O18 Dy4 96.4(5) . 2_666
Dy1 O18 Dy4 96.4(5) . 2_666
Dy3 O19 Dy2 98.3(6) 2_666 .
Dy3 O19 Dy1 93.7(5) 2_666 2_666
Dy2 O19 Dy1 90.2(4) . 2_666
Dy3 O19 H19 122.3 2_666 .
Dy2 O19 H19 122.3 . .
Dy1 O19 H19 122.3 2_666 .
C2 N1 C1 118(3) . .
C2 N1 Ni3 130(2) . .
C1 N1 Ni3 111.5(19) . .
C3 N2 C4 116(3) . .
O1 N3 C5 117(2) . .
O1 N3 Ni3 127.7(16) . .
C5 N3 Ni3 115(2) . .
C5 N4 H4A 111.4 . .
C5 N4 H4B 109.7 . .
H4A N4 H4B 107.9 . .
C7 N5 C6 115(2) . .
C7 N5 Ni1 129.3(19) . .
C6 N5 Ni1 115.6(16) . .
C8 N6 C9 116(3) . .
C10 N7 O2 109(2) . .
C10 N7 Ni1 120.4(16) . .
O2 N7 Ni1 125.1(15) . .
C10 N8 Ni3 107.6(18) . .
C10 N8 H8A 126.2 . .
Ni3 N8 H8A 126.2 . .
C14 N9 C11 119(3) . .
C14 N9 Ni1 129(2) . .
C11 N9 Ni1 111.7(19) . .
C13 N10 C12 118(4) . .
C15 N11 O3 115.8(18) . .
C15 N11 Ni1 115.1(16) . .
O3 N11 Ni1 128.8(14) . .
C15 N12 H12A 110.5 . .
C15 N12 H12B 115.0 . .
H12A N12 H12B 104.8 . .
C17 N13 C16 118(2) . .
C17 N13 Ni2 129(2) . .
C16 N13 Ni2 112.4(17) . .
C18 N14 C19 119(3) . .
C18 N14 H14 120.4 . .
C19 N14 H14 120.4 . .
C20 N15 O4 114(2) . .
C20 N15 Ni2 120.8(18) . .
O4 N15 Ni2 124.8(13) . .
C20 N16 Dy3 116.4(16) . .
C20 N16 H16 121.8 . .
Dy3 N16 H16 121.8 . .
C22 N17 C21 114(2) . .
C22 N17 Ni2 132(2) . .
C21 N17 Ni2 114.1(16) . .
C23 N18 C24 118(3) . .
C25 N19 O5 116.5(19) . .
C25 N19 Ni2 115.4(16) . .
O5 N19 Ni2 128.0(14) . .
C25 N20 H20A 109.4 . .
C25 N20 H20B 110.3 . .
H20A N20 H20B 108.3 . .
C26 N21 C27 119(2) . .
C26 N21 Ni2 113.7(14) . .
C27 N21 Ni2 126(2) . .
O8 N26 O7 121(3) . .
O8 N26 O9 123(3) . .
O7 N26 O9 117(3) . .
C28 N22 C29 118(3) . .
C30 N23 H23A 120.0 . .
C30 N23 H23B 120.0 . .
H23A N23 H23B 120.0 . .
C30 N24 O6 115.1(18) . .
C30 N24 Ni2 119.2(15) . .
O6 N24 Ni2 122.2(12) . .
O13 N25 O14 124(4) . .
O13 N25 O15 118(3) . .
O14 N25 O15 118(4) . .
C4 C1 N1 118(3) . .
C4 C1 C5 128(3) . .
N1 C1 C5 113(2) . .
N1 C2 C3 120(3) . .
N1 C2 H2 120.2 . .
C3 C2 H2 120.2 . .
N2 C3 C2 123(3) . .
N2 C3 H3 118.4 . .
C2 C3 H3 118.4 . .
C1 C4 N2 125(4) . .
C1 C4 H4 117.3 . .
N2 C4 H4 117.3 . .
N4 C5 N3 120(3) . .
N4 C5 C1 126(2) . .
N3 C5 C1 114(3) . .
C9 C6 N5 122(3) . .
C9 C6 C10 127(3) . .
N5 C6 C10 111(2) . .
C8 C7 N5 124(3) . .
C8 C7 H7 118.1 . .
N5 C7 H7 118.1 . .
C7 C8 N6 123(3) . .
C7 C8 H8 118.7 . .
N6 C8 H8 118.7 . .
C6 C9 N6 121(3) . .
C6 C9 H9 119.7 . .
N6 C9 H9 119.7 . .
N7 C10 N8 125(2) . .
N7 C10 C6 113(2) . .
N8 C10 C6 122(3) . .
N9 C11 C12 120(3) . .
N9 C11 C15 117(3) . .
C12 C11 C15 123(3) . .
N10 C12 C11 122(4) . .
N10 C12 H12C 119.2 . .
C11 C12 H12C 119.2 . .
N10 C13 C14 120(5) . .
N10 C13 H13 120.1 . .
C14 C13 H13 120.1 . .
N9 C14 C13 122(4) . .
N9 C14 H14A 119.1 . .
C13 C14 H14A 119.1 . .
N11 C15 N12 123(3) . .
N11 C15 C11 118(2) . .
N12 C15 C11 119(3) . .
N13 C16 C19 120(3) . .
N13 C16 C20 117(2) . .
C19 C16 C20 123(3) . .
N14 C18 C17 121(3) . .
N14 C18 H18 119.6 . .
C17 C18 H18 119.6 . .
N15 C20 N16 122(2) . .
N15 C20 C16 112(3) . .
N16 C20 C16 126(2) . .
C24 C21 N17 123(3) . .
C24 C21 C25 123(3) . .
N17 C21 C25 114(2) . .
N17 C22 C23 124(3) . .
N17 C22 H22 118.2 . .
C23 C22 H22 118.2 . .
N18 C23 C22 121(3) . .
N18 C23 H23 119.4 . .
C22 C23 H23 119.4 . .
N18 C24 C21 121(3) . .
N18 C24 H24 119.7 . .
C21 C24 H24 119.7 . .
N19 C25 N20 120(2) . .
N19 C25 C21 118(2) . .
N20 C25 C21 123(3) . .
N21 C26 C29 124(2) . .
N21 C26 C30 118(2) . .
C29 C26 C30 118(3) . .
N21 C27 C28 116(3) . .
N21 C27 H27 122.0 . .
C28 C27 H27 122.0 . .
N22 C28 C27 125(3) . .
N22 C28 H28 117.5 . .
C27 C28 H28 117.5 . .
N22 C29 C26 118(3) . .
N22 C29 H29 121.1 . .
C26 C29 H29 121.1 . .
N24 C30 N23 125(2) . .
N24 C30 C26 112(2) . .
N23 C30 C26 122(2) . .
O16 C31 C34 116.9(18) . .
O16 C31 H31A 108.1 . .
C34 C31 H31A 108.1 . .
O16 C31 H31B 108.1 . .
C34 C31 H31B 108.1 . .
H31A C31 H31B 107.3 . .
O18 C32 C34 115(2) . .
O18 C32 H32A 108.6 . .
C34 C32 H32A 108.6 . .
O18 C32 H32B 108.6 . .
C34 C32 H32B 108.6 . .
H32A C32 H32B 107.6 . .
O17 C33 C34 117.9(18) . .
O17 C33 H33A 107.8 . .
C34 C33 H33A 107.8 . .
O17 C33 H33B 107.8 . .
C34 C33 H33B 107.8 . .
H33A C33 H33B 107.2 . .
C33 C34 C35 108(2) . .
C33 C34 C32 111.6(19) . .
C35 C34 C32 109(2) . .
C33 C34 C31 112(2) . .
C35 C34 C31 107.5(19) . .
C32 C34 C31 109.1(19) . .
C36 C35 C34 118(3) . .
C36 C35 H35A 107.7 . .
C34 C35 H35A 107.7 . .
C36 C35 H35B 107.7 . .
C34 C35 H35B 107.7 . .
H35A C35 H35B 107.1 . .
C35 C36 H36A 109.5 . .
C35 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
C35 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
N13 C17 C18 123(3) . .
N13 C17 H17 118.7 . .
C18 C17 H17 118.7 . .
N14 C19 C16 120(3) . .
N14 C19 H19A 120.2 . .
C16 C19 H19A 120.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Dy1 O5 2.277(17) .
Dy1 O16 2.310(16) .
Dy1 O4 2.331(14) .
Dy1 O6 2.369(14) .
Dy1 O18 2.376(15) .
Dy1 O17 2.377(13) 2_666
Dy1 O11 2.486(13) 2_666
Dy1 O19 2.648(15) 2_666
Dy1 Dy2 3.4990(15) .
Dy1 Dy2 3.5408(18) 2_666
Dy1 Dy4 3.6105(19) 2_666
Dy1 Dy3 3.6396(18) .
Dy2 O18 2.319(14) .
Dy2 O19 2.339(13) .
Dy2 O16 2.372(15) 2_666
Dy2 O12 2.380(15) 2_666
Dy2 O17 2.393(14) 2_666
Dy2 O17 2.437(13) .
Dy2 O11 2.451(15) 2_666
Dy2 O10 2.465(17) 2_666
Dy2 Dy3 3.5338(16) 2_666
Dy2 Dy1 3.5408(18) 2_666
Dy2 Dy4 3.5707(18) 2_666
Dy3 O3 2.244(19) .
Dy3 O19 2.332(16) 2_666
Dy3 O4 2.346(17) .
Dy3 N16 2.42(2) .
Dy3 O13 2.45(2) .
Dy3 O16 2.460(13) .
Dy3 O15 2.46(3) .
Dy3 O12 2.475(16) .
Dy3 Dy2 3.5338(16) 2_666
Dy4 O11 2.303(15) .
Dy4 O1 2.311(17) .
Dy4 O2 2.320(18) .
Dy4 O6 2.350(12) 2_666
Dy4 O10 2.359(14) .
Dy4 O8 2.41(2) .
Dy4 O18 2.467(15) 2_666
Dy4 O7 2.52(2) .
Dy4 Dy2 3.5707(18) 2_666
Dy4 Dy1 3.6105(19) 2_666
Ni1 N7 2.033(19) .
Ni1 N11 2.042(18) .
Ni1 O10 2.064(15) .
Ni1 O12 2.067(17) .
Ni1 N5 2.11(2) .
Ni1 N9 2.13(2) .
Ni2 N15 2.01(2) .
Ni2 N24 2.021(17) .
Ni2 N19 2.041(19) .
Ni2 N13 2.10(2) .
Ni2 N21 2.11(2) .
Ni2 N17 2.13(2) .
Ni3 O2 1.822(18) .
Ni3 N3 1.84(3) .
Ni3 N8 1.88(2) .
Ni3 N1 1.90(2) .
O1 N3 1.31(3) .
O2 N7 1.43(2) .
O3 N11 1.32(2) .
O4 N15 1.39(2) .
O5 N19 1.38(3) .
O6 N24 1.39(2) .
O6 Dy4 2.350(12) 2_666
O7 N26 1.25(3) .
O8 N26 1.19(3) .
O9 N26 1.26(4) .
O10 Dy2 2.465(17) 2_666
O10 H10 0.9800 .
O11 Dy2 2.451(15) 2_666
O11 Dy1 2.486(13) 2_666
O11 H11 0.9800 .
O12 Dy2 2.380(15) 2_666
O12 H12 0.9800 .
O13 N25 1.21(4) .
O14 N25 1.27(4) .
O15 N25 1.28(4) .
O16 C31 1.38(3) .
O16 Dy2 2.372(15) 2_666
O17 C33 1.46(3) .
O17 Dy1 2.377(13) 2_666
O17 Dy2 2.393(14) 2_666
O18 C32 1.41(3) .
O18 Dy4 2.467(15) 2_666
O19 Dy3 2.332(16) 2_666
O19 Dy1 2.648(15) 2_666
O19 H19 0.9800 .
N1 C2 1.31(4) .
N1 C1 1.41(4) .
N2 C3 1.31(5) .
N2 C4 1.34(5) .
N3 C5 1.37(3) .
N4 C5 1.36(4) .
N4 H4A 0.8819 .
N4 H4B 0.8847 .
N5 C7 1.35(3) .
N5 C6 1.39(3) .
N6 C8 1.32(4) .
N6 C9 1.40(4) .
N7 C10 1.26(3) .
N8 C10 1.32(3) .
N8 H8A 0.8600 .
N9 C14 1.31(4) .
N9 C11 1.31(3) .
N10 C13 1.33(6) .
N10 C12 1.33(5) .
N11 C15 1.28(4) .
N12 C15 1.41(3) .
N12 H12A 0.8891 .
N12 H12B 0.9042 .
N13 C17 1.31(3) .
N13 C16 1.36(4) .
N14 C18 1.31(5) .
N14 C19 1.35(4) .
N14 H14 0.8600 .
N15 C20 1.30(3) .
N16 C20 1.33(4) .
N16 H16 0.8600 .
N17 C22 1.31(3) .
N17 C21 1.35(3) .
N18 C23 1.31(4) .
N18 C24 1.32(4) .
N19 C25 1.34(3) .
N20 C25 1.38(3) .
N20 H20A 0.8671 .
N20 H20B 0.8666 .
N21 C26 1.28(3) .
N21 C27 1.37(3) .
N22 C28 1.27(4) .
N22 C29 1.37(4) .
N23 C30 1.33(4) .
N23 H23A 0.8600 .
N23 H23B 0.8600 .
N24 C30 1.30(3) .
C1 C4 1.34(4) .
C1 C5 1.42(4) .
C2 C3 1.43(4) .
C2 H2 0.9300 .
C3 H3 0.9300 .
C4 H4 0.9300 .
C6 C9 1.33(4) .
C6 C10 1.51(3) .
C7 C8 1.32(4) .
C7 H7 0.9300 .
C8 H8 0.9300 .
C9 H9 0.9300 .
C11 C12 1.39(5) .
C11 C15 1.44(4) .
C12 H12C 0.9300 .
C13 C14 1.40(6) .
C13 H13 0.9300 .
C14 H14A 0.9300 .
C16 C19 1.41(4) .
C16 C20 1.46(4) .
C18 C17 1.39(4) .
C18 H18 0.9300 .
C21 C24 1.33(4) .
C21 C25 1.47(4) .
C22 C23 1.34(5) .
C22 H22 0.9300 .
C23 H23 0.9300 .
C24 H24 0.9300 .
C26 C29 1.43(4) .
C26 C30 1.48(3) .
C27 C28 1.45(4) .
C27 H27 0.9300 .
C28 H28 0.9300 .
C29 H29 0.9300 .
C31 C34 1.55(3) .
C31 H31A 0.9700 .
C31 H31B 0.9700 .
C32 C34 1.54(3) .
C32 H32A 0.9700 .
C32 H32B 0.9700 .
C33 C34 1.47(3) .
C33 H33A 0.9700 .
C33 H33B 0.9700 .
C34 C35 1.54(4) .
C35 C36 1.44(4) .
C35 H35A 0.9700 .
C35 H35B 0.9700 .
C36 H36A 0.9600 .
C36 H36B 0.9600 .
C36 H36C 0.9600 .
C17 H17 0.9300 .
C19 H19A 0.9300 .
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
N3 Ni3 O2 N7 177.6(18) .
N8 Ni3 O2 N7 -2.6(17) .
N3 Ni3 O2 Dy4 -3.4(14) .
N8 Ni3 O2 Dy4 176.3(15) .
Dy4 O1 N3 C5 168.4(19) .
Dy4 O1 N3 Ni3 -5(4) .
O2 Ni3 N3 O1 5(3) .
N1 Ni3 N3 O1 -178(3) .
O2 Ni3 N3 C5 -168(2) .
N1 Ni3 N3 C5 9(2) .
Ni3 O2 N7 C10 1(3) .
Dy4 O2 N7 C10 -178(2) .
Ni3 O2 N7 Ni1 -152.6(13) .
Dy4 O2 N7 Ni1 28(3) .
O2 Ni3 N8 C10 4(2) .
N1 Ni3 N8 C10 -173(2) .
Dy3 O3 N11 C15 -174.0(19) .
Dy3 O3 N11 Ni1 13(3) .
Dy1 O4 N15 C20 123.2(18) .
Dy3 O4 N15 C20 6(2) .
Dy1 O4 N15 Ni2 -48.5(18) .
Dy3 O4 N15 Ni2 -165.8(9) .
Dy1 O5 N19 C25 118.5(19) .
Dy1 O5 N19 Ni2 -59.3(16) .
Dy4 O8 N26 O7 12(3) .
Dy4 O8 N26 O9 -166(3) .
Dy4 O7 N26 O8 -12(3) .
Dy4 O7 N26 O9 167(3) .
Dy4 O6 N24 C30 -89(2) 2_666
Dy1 O6 N24 C30 130(2) .
Dy4 O6 N24 Ni2 111.9(15) 2_666
Dy1 O6 N24 Ni2 -28.3(18) .
Dy3 O13 N25 O14 180(3) .
Dy3 O13 N25 O15 -1(3) .
Dy3 O15 N25 O13 1(3) .
Dy3 O15 N25 O14 -180(3) .
C2 N1 C1 C4 1(5) .
Ni3 N1 C1 C4 -175(3) .
C2 N1 C1 C5 -179(3) .
Ni3 N1 C1 C5 5(3) .
C1 N1 C2 C3 -1(5) .
Ni3 N1 C2 C3 175(3) .
C4 N2 C3 C2 -2(6) .
N1 C2 C3 N2 1(6) .
N1 C1 C4 N2 -2(5) .
C5 C1 C4 N2 178(3) .
C3 N2 C4 C1 3(6) .
O1 N3 C5 N4 4(4) .
Ni3 N3 C5 N4 177(2) .
O1 N3 C5 C1 178(3) .
Ni3 N3 C5 C1 -8(3) .
C4 C1 C5 N4 -4(6) .
N1 C1 C5 N4 176(3) .
C4 C1 C5 N3 -178(3) .
N1 C1 C5 N3 2(4) .
C7 N5 C6 C9 1(5) .
Ni1 N5 C6 C9 174(3) .
C7 N5 C6 C10 -178(3) .
Ni1 N5 C6 C10 -5(3) .
C6 N5 C7 C8 0(4) .
Ni1 N5 C7 C8 -171(3) .
N5 C7 C8 N6 3(6) .
C9 N6 C8 C7 -7(6) .
N5 C6 C9 N6 -6(6) .
C10 C6 C9 N6 173(3) .
C8 N6 C9 C6 9(6) .
O2 N7 C10 N8 3(4) .
Ni1 N7 C10 N8 158(3) .
O2 N7 C10 C6 -179(2) .
Ni1 N7 C10 C6 -24(4) .
Ni3 N8 C10 N7 -5(4) .
Ni3 N8 C10 C6 177(2) .
C9 C6 C10 N7 -161(4) .
N5 C6 C10 N7 18(4) .
C9 C6 C10 N8 17(6) .
N5 C6 C10 N8 -164(3) .
C14 N9 C11 C12 4(5) .
Ni1 N9 C11 C12 -171(3) .
C14 N9 C11 C15 179(3) .
Ni1 N9 C11 C15 4(4) .
C13 N10 C12 C11 6(7) .
N9 C11 C12 N10 -7(6) .
C15 C11 C12 N10 179(4) .
C12 N10 C13 C14 -3(7) .
C11 N9 C14 C13 -2(5) .
Ni1 N9 C14 C13 173(3) .
N10 C13 C14 N9 1(7) .
O3 N11 C15 N12 10(4) .
Ni1 N11 C15 N12 -177(2) .
O3 N11 C15 C11 -177(2) .
Ni1 N11 C15 C11 -3(3) .
N9 C11 C15 N11 0(4) .
C12 C11 C15 N11 174(3) .
N9 C11 C15 N12 173(3) .
C12 C11 C15 N12 -12(5) .
C17 N13 C16 C19 3(4) .
Ni2 N13 C16 C19 174(2) .
C17 N13 C16 C20 180(2) .
Ni2 N13 C16 C20 -9(3) .
C19 N14 C18 C17 2(6) .
O4 N15 C20 N16 4(3) .
Ni2 N15 C20 N16 176(2) .
O4 N15 C20 C16 -176.5(19) .
Ni2 N15 C20 C16 -4(3) .
Dy3 N16 C20 N15 -11(3) .
Dy3 N16 C20 C16 169(2) .
N13 C16 C20 N15 9(3) .
C19 C16 C20 N15 -175(3) .
N13 C16 C20 N16 -171(3) .
C19 C16 C20 N16 5(5) .
C22 N17 C21 C24 1(4) .
Ni2 N17 C21 C24 -179(2) .
C22 N17 C21 C25 -176(2) .
Ni2 N17 C21 C25 4(3) .
C21 N17 C22 C23 0(5) .
Ni2 N17 C22 C23 179(3) .
C24 N18 C23 C22 4(6) .
N17 C22 C23 N18 -3(6) .
C23 N18 C24 C21 -4(5) .
N17 C21 C24 N18 1(5) .
C25 C21 C24 N18 178(3) .
O5 N19 C25 N20 -3(3) .
Ni2 N19 C25 N20 175.2(19) .
O5 N19 C25 C21 178(2) .
Ni2 N19 C25 C21 -4(3) .
C24 C21 C25 N19 -177(3) .
N17 C21 C25 N19 0(4) .
C24 C21 C25 N20 3(4) .
N17 C21 C25 N20 -180(2) .
C27 N21 C26 C29 -1(5) .
Ni2 N21 C26 C29 -172(3) .
C27 N21 C26 C30 172(3) .
Ni2 N21 C26 C30 0(3) .
C26 N21 C27 C28 5(4) .
Ni2 N21 C27 C28 175(2) .
C29 N22 C28 C27 -1(6) .
N21 C27 C28 N22 -4(5) .
C28 N22 C29 C26 5(5) .
N21 C26 C29 N22 -4(6) .
C30 C26 C29 N22 -177(3) .
O6 N24 C30 N23 5(4) .
Ni2 N24 C30 N23 164(3) .
O6 N24 C30 C26 -166(2) .
Ni2 N24 C30 C26 -6(3) .
N21 C26 C30 N24 4(4) .
C29 C26 C30 N24 177(3) .
N21 C26 C30 N23 -167(3) .
C29 C26 C30 N23 6(5) .
Dy1 O16 C31 C34 -74(2) .
Dy2 O16 C31 C34 55(2) 2_666
Dy3 O16 C31 C34 168.5(15) .
Dy2 O18 C32 C34 -84.9(19) .
Dy1 O18 C32 C34 38(3) .
Dy4 O18 C32 C34 167.1(14) 2_666
Dy1 O17 C33 C34 170.8(14) 2_666
Dy2 O17 C33 C34 -82.5(18) 2_666
Dy2 O17 C33 C34 54(2) .
O17 C33 C34 C35 -172.6(18) .
O17 C33 C34 C32 -53(3) .
O17 C33 C34 C31 69(2) .
O18 C32 C34 C33 73(3) .
O18 C32 C34 C35 -168.5(19) .
O18 C32 C34 C31 -51(3) .
O16 C31 C34 C33 -49(3) .
O16 C31 C34 C35 -167(2) .
O16 C31 C34 C32 75(3) .
C33 C34 C35 C36 72(4) .
C32 C34 C35 C36 -49(4) .
C31 C34 C35 C36 -167(3) .
C16 N13 C17 C18 -2(4) .
Ni2 N13 C17 C18 -172(3) .
N14 C18 C17 N13 0(6) .
C18 N14 C19 C16 -1(6) .
N13 C16 C19 N14 -2(5) .
C20 C16 C19 N14 -178(3) .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
1 -0.095 0.070 0.419 1339.2 382.8
