#------------------------------------------------------------------------------
#$Date: 2024-03-04 22:33:43 +0200 (Mon, 04 Mar 2024) $
#$Revision: 290226 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/06/29/7062956.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_7062956
loop_
_publ_author_name
'Zhu, Yu-Jie'
'Wang, Hui-Sheng'
'Chen, Yuxiang'
'Zhou, Pengfei'
'Wu, Yanfang'
'Zhang, Yi-Quan'
_publ_section_title
;
 Synthesis, crystal structure and magnetic properties of octanuclear
 Ni4Ln4 complexes constructed using a Schiff base ligand and di-2-pyridyl
 ketone
;
_journal_issue                   8
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              3438
_journal_page_last               3446
_journal_paper_doi               10.1039/D3NJ05343A
_journal_volume                  48
_journal_year                    2024
_chemical_formula_moiety         'C116 H100 Dy4 N20 Ni4 O32, 10CH3OH, 13H2O'
_chemical_formula_sum            'C126 H166 Dy4 N20 Ni4 O55'
_chemical_formula_weight         3725.54
_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'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2023-07-30 deposited with the CCDC.	2024-01-09 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 99.221(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   48.1535(19)
_cell_length_b                   19.3949(8)
_cell_length_c                   15.7658(5)
_cell_measurement_reflns_used    6988
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.34
_cell_measurement_theta_min      2.71
_cell_volume                     14533.9(10)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'PHOTON 2 CMOS detector'
_diffrn_measurement_method       'omega scan'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0755
_diffrn_reflns_av_unetI/netI     0.0826
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       55
_diffrn_reflns_limit_h_min       -57
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            34331
_diffrn_reflns_point_group_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         2.687
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    2.607
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.5601
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2014)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.449
_exptl_crystal_description       block
_exptl_crystal_F_000             6272
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.07
_refine_diff_density_max         2.889
_refine_diff_density_min         -2.579
_refine_diff_density_rms         0.179
_refine_ls_extinction_coef       0.00009(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.096
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     799
_refine_ls_number_reflns         12663
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.096
_refine_ls_R_factor_all          0.1192
_refine_ls_R_factor_gt           0.0607
_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)+(0.0790P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1469
_refine_ls_wR_factor_ref         0.1638
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7866
_reflns_number_total             12663
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3nj05343a2.cif
_cod_data_source_block           complex_1
_cod_depositor_comments
'Adding full bibliography for 7062956--7062958.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7062956
_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
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.2187(2) 0.1421(4) 0.4774(6) 0.034(2) Uani 1 1 d . . . . .
C2 C 0.2264(2) 0.1000(4) 0.5495(6) 0.032(2) Uani 1 1 d . . . . .
H2 H 0.2372 0.1174 0.6007 0.039 Uiso 1 1 calc R U . . .
C3 C 0.2174(2) 0.0313(4) 0.5430(6) 0.039(2) Uani 1 1 d . . . . .
H3 H 0.2221 0.0012 0.5907 0.047 Uiso 1 1 calc R U . . .
C4 C 0.2021(2) 0.0074(4) 0.4693(6) 0.041(2) Uani 1 1 d . . . . .
H4 H 0.1966 -0.0396 0.4666 0.049 Uiso 1 1 calc R U . . .
C5 C 0.20244(19) 0.1123(4) 0.4046(5) 0.0271(19) Uani 1 1 d . . . . .
C6 C 0.1880(2) 0.1336(4) 0.2581(5) 0.033(2) Uani 1 1 d . . . . .
H6 H 0.1914 0.0858 0.2517 0.039 Uiso 1 1 calc R U . . .
C7 C 0.1773(2) 0.1726(4) 0.1809(5) 0.034(2) Uani 1 1 d . . . . .
C8 C 0.1751(2) 0.1348(5) 0.1015(6) 0.047(3) Uani 1 1 d . . . . .
H8 H 0.1807 0.0878 0.1019 0.057 Uiso 1 1 calc R U . . .
C9 C 0.1646(3) 0.1669(5) 0.0243(6) 0.056(3) Uani 1 1 d . . . . .
H9 H 0.1627 0.1415 -0.0278 0.068 Uiso 1 1 calc R U . . .
C10 C 0.1570(2) 0.2363(5) 0.0231(6) 0.045(3) Uani 1 1 d . . . . .
H10 H 0.1505 0.2585 -0.0301 0.054 Uiso 1 1 calc R U . . .
C11 C 0.1589(2) 0.2726(5) 0.0985(6) 0.042(2) Uani 1 1 d . . . . .
C12 C 0.1702(2) 0.2431(5) 0.1800(6) 0.038(2) Uani 1 1 d . . . . .
C13 C 0.1423(3) 0.3776(6) 0.0295(7) 0.070(4) Uani 1 1 d . . . . .
H13A H 0.1546 0.3711 -0.0135 0.105 Uiso 1 1 calc R U . . .
H13B H 0.1408 0.4269 0.0418 0.105 Uiso 1 1 calc R U . . .
H13C H 0.1235 0.3593 0.0074 0.105 Uiso 1 1 calc R U . . .
C14 C 0.23988(17) 0.2514(4) 0.2544(5) 0.0231(17) Uani 1 1 d . . . . .
C15 C 0.2316(2) 0.2847(4) 0.1720(5) 0.034(2) Uani 1 1 d . . . . .
H15 H 0.2251 0.3310 0.1691 0.041 Uiso 1 1 calc R U . . .
C16 C 0.2334(2) 0.2486(5) 0.0978(6) 0.040(2) Uani 1 1 d . . . . .
H16 H 0.2283 0.2702 0.0434 0.049 Uiso 1 1 calc R U . . .
C17 C 0.2425(2) 0.1806(5) 0.1023(6) 0.041(2) Uani 1 1 d . . . . .
H17 H 0.2426 0.1557 0.0504 0.050 Uiso 1 1 calc R U . . .
C18 C 0.25011(19) 0.1833(4) 0.2489(5) 0.032(2) Uani 1 1 d . . . . .
C19 C 0.26420(19) 0.0878(4) 0.3364(6) 0.032(2) Uani 1 1 d . . . . .
H19 H 0.2604 0.0601 0.2862 0.039 Uiso 1 1 calc R U . . .
C20 C 0.2747(2) 0.0545(4) 0.4184(6) 0.033(2) Uani 1 1 d . . . . .
C21 C 0.2746(2) -0.0204(4) 0.4192(6) 0.039(2) Uani 1 1 d . . . . .
H21 H 0.2688 -0.0449 0.3672 0.047 Uiso 1 1 calc R U . . .
C22 C 0.2826(2) -0.0554(5) 0.4926(6) 0.041(2) Uani 1 1 d . . . . .
H22 H 0.2820 -0.1043 0.4920 0.049 Uiso 1 1 calc R U . . .
C23 C 0.2918(2) -0.0211(4) 0.5695(6) 0.035(2) Uani 1 1 d . . . . .
H23 H 0.2977 -0.0465 0.6207 0.042 Uiso 1 1 calc R U . . .
C24 C 0.20785(19) 0.4501(4) 0.4292(5) 0.029(2) Uani 1 1 d . . . . .
C25 C 0.2162(2) 0.4111(4) 0.5046(6) 0.031(2) Uani 1 1 d . . . . .
C26 C 0.1919(2) 0.4439(5) 0.2748(6) 0.047(3) Uani 1 1 d . . . . .
H26A H 0.1748 0.4712 0.2754 0.071 Uiso 1 1 calc R U . . .
H26B H 0.1884 0.4095 0.2287 0.071 Uiso 1 1 calc R U . . .
H26C H 0.2073 0.4744 0.2648 0.071 Uiso 1 1 calc R U . . .
C27 C 0.0445(2) 0.2900(6) 0.1262(7) 0.051(3) Uani 1 1 d . . . . .
C28 C 0.0326(3) 0.2855(6) 0.0393(7) 0.060(3) Uani 1 1 d . . . . .
H28 H 0.0371 0.2474 0.0064 0.071 Uiso 1 1 calc R U . . .
C29 C 0.0144(3) 0.3354(7) 0.0007(8) 0.074(4) Uani 1 1 d . . . . .
H29 H 0.0072 0.3327 -0.0590 0.089 Uiso 1 1 calc R U . . .
C30 C 0.0070(3) 0.3883(7) 0.0484(7) 0.063(3) Uani 1 1 d . . . . .
H30 H -0.0064 0.4208 0.0215 0.075 Uiso 1 1 calc R U . . .
C31 C 0.0363(2) 0.3481(5) 0.1704(7) 0.049(3) Uani 1 1 d . . . . .
C32 C 0.0447(2) 0.4086(5) 0.3021(6) 0.041(2) Uani 1 1 d . . . . .
H32 H 0.0305 0.4395 0.2765 0.049 Uiso 1 1 calc R U . . .
C33 C 0.0586(2) 0.4258(5) 0.3851(7) 0.047(3) Uani 1 1 d . . . . .
C34 C 0.0525(2) 0.4921(5) 0.4199(7) 0.051(3) Uani 1 1 d . . . . .
H34 H 0.0384 0.5205 0.3888 0.062 Uiso 1 1 calc R U . . .
C35 C 0.0671(3) 0.5151(6) 0.4984(7) 0.059(3) Uani 1 1 d . . . . .
H35 H 0.0624 0.5583 0.5207 0.071 Uiso 1 1 calc R U . . .
C36 C 0.0881(2) 0.4758(5) 0.5436(6) 0.049(3) Uani 1 1 d . . . . .
H36 H 0.0981 0.4919 0.5969 0.059 Uiso 1 1 calc R U . . .
C37 C 0.0947(2) 0.4129(5) 0.5112(6) 0.044(3) Uani 1 1 d . . . . .
C38 C 0.0802(2) 0.3857(5) 0.4344(7) 0.047(3) Uani 1 1 d . . . . .
C39 C 0.1363(3) 0.3968(6) 0.6200(7) 0.073(4) Uani 1 1 d . . . . .
H39A H 0.1433 0.4417 0.6044 0.110 Uiso 1 1 calc R U . . .
H39B H 0.1522 0.3647 0.6334 0.110 Uiso 1 1 calc R U . . .
H39C H 0.1270 0.4019 0.6704 0.110 Uiso 1 1 calc R U . . .
C40 C 0.1367(2) 0.3888(5) 0.3588(6) 0.042(2) Uani 1 1 d . . . . .
C41 C 0.1413(2) 0.4513(5) 0.4003(7) 0.045(3) Uani 1 1 d . . . . .
H41 H 0.1527 0.4552 0.4551 0.054 Uiso 1 1 calc R U . . .
C42 C 0.1277(2) 0.5110(5) 0.3556(7) 0.048(3) Uani 1 1 d . . . . .
H42 H 0.1302 0.5556 0.3806 0.057 Uiso 1 1 calc R U . . .
C43 C 0.1117(3) 0.5028(6) 0.2802(7) 0.055(3) Uani 1 1 d . . . . .
H43 H 0.1032 0.5429 0.2528 0.065 Uiso 1 1 calc R U . . .
C44 C 0.1191(2) 0.3879(5) 0.2784(6) 0.041(2) Uani 1 1 d . . . . .
C45 C 0.0220(2) 0.2161(6) 0.3451(8) 0.060(3) Uani 1 1 d . . . . .
H45 H 0.0141 0.2608 0.3357 0.072 Uiso 1 1 calc R U . . .
C46 C 0.0045(3) 0.1620(7) 0.3658(10) 0.081(4) Uani 1 1 d . . . . .
H46 H -0.0150 0.1698 0.3666 0.097 Uiso 1 1 calc R U . . .
C47 C 0.0160(3) 0.0990(7) 0.3843(11) 0.087(5) Uani 1 1 d . . . . .
H47 H 0.0049 0.0618 0.3996 0.105 Uiso 1 1 calc R U . . .
C48 C 0.0452(3) 0.0898(6) 0.3802(10) 0.079(4) Uani 1 1 d . . . . .
H48 H 0.0538 0.0462 0.3933 0.095 Uiso 1 1 calc R U . . .
C49 C 0.0609(2) 0.1444(5) 0.3573(7) 0.054(3) Uani 1 1 d . . . . .
C50 C 0.0922(2) 0.1375(5) 0.3491(7) 0.042(2) Uani 1 1 d . . . . .
C51 C 0.1086(2) 0.0929(5) 0.4174(8) 0.056(3) Uani 1 1 d . . . . .
C52 C 0.1089(3) 0.0227(5) 0.4157(10) 0.079(4) Uani 1 1 d . . . . .
H52 H 0.0992 -0.0008 0.3670 0.095 Uiso 1 1 calc R U . . .
C53 C 0.1230(3) -0.0150(6) 0.4833(10) 0.080(4) Uani 1 1 d . . . . .
H53 H 0.1237 -0.0639 0.4816 0.096 Uiso 1 1 calc R U . . .
C54 C 0.1359(3) 0.0206(6) 0.5519(10) 0.079(4) Uani 1 1 d . . . . .
H54 H 0.1453 -0.0040 0.6002 0.095 Uiso 1 1 calc R U . . .
C55 C 0.1358(3) 0.0917(6) 0.5541(8) 0.062(3) Uani 1 1 d . . . . .
H55 H 0.1455 0.1151 0.6030 0.074 Uiso 1 1 calc R U . . .
C56 C 0.1180(3) 0.1046(6) 0.2390(8) 0.070(4) Uani 1 1 d . . . . .
H56A H 0.1249 0.1521 0.2379 0.105 Uiso 1 1 calc R U . . .
H56B H 0.1162 0.0847 0.1812 0.105 Uiso 1 1 calc R U . . .
H56C H 0.1314 0.0771 0.2787 0.105 Uiso 1 1 calc R U . . .
C57 C 0.1766(2) 0.2373(4) 0.5751(6) 0.036(2) Uani 1 1 d . . . . .
C58 C 0.0594(3) 0.2579(9) 0.5653(9) 0.093(5) Uani 1 1 d . . . . .
H58A H 0.0501 0.2719 0.5080 0.139 Uiso 1 1 calc R U . . .
H58B H 0.0615 0.2981 0.6035 0.139 Uiso 1 1 calc R U . . .
H58C H 0.0480 0.2229 0.5883 0.139 Uiso 1 1 calc R U . . .
Dy1 Dy 0.19309(2) 0.28096(2) 0.38280(2) 0.02702(14) Uani 1 1 d . . . . .
Dy2 Dy 0.12276(2) 0.25636(2) 0.47523(3) 0.03826(16) Uani 1 1 d . . . . .
N1 N 0.19450(17) 0.0473(4) 0.3997(5) 0.0372(19) Uani 1 1 d . . . . .
N2 N 0.19345(16) 0.1592(3) 0.3349(5) 0.0319(17) Uani 1 1 d . . . . .
N3 N 0.25112(16) 0.1490(4) 0.1771(4) 0.0329(17) Uani 1 1 d . . . . .
N4 N 0.25981(15) 0.1538(3) 0.3293(4) 0.0266(16) Uani 1 1 d . . . . .
N5 N 0.0177(2) 0.3972(4) 0.1333(6) 0.053(2) Uani 1 1 d . . . . .
N6 N 0.04920(18) 0.3560(4) 0.2579(5) 0.0410(19) Uani 1 1 d . . . . .
N7 N 0.10647(19) 0.4418(4) 0.2384(5) 0.047(2) Uani 1 1 d . . . . .
N8 N 0.11082(19) 0.3221(4) 0.2411(5) 0.047(2) Uani 1 1 d . . . . .
H8A H 0.1258 0.2929 0.2507 0.057 Uiso 1 1 calc R U . . .
H8B H 0.1059 0.3271 0.1832 0.057 Uiso 1 1 calc R U . . .
N9 N 0.04929(19) 0.2075(4) 0.3381(5) 0.047(2) Uani 1 1 d . . . . .
N10 N 0.1223(2) 0.1277(4) 0.4892(6) 0.056(2) Uani 1 1 d . . . . .
Ni1 Ni 0.23545(2) 0.27308(5) 0.57903(6) 0.0242(2) Uani 1 1 d . . . . .
Ni2 Ni 0.07610(3) 0.27649(6) 0.29162(8) 0.0411(3) Uani 1 1 d . . . . .
O1 O 0.22761(12) 0.2081(3) 0.4735(3) 0.0257(13) Uani 1 1 d . . . . .
O2 O 0.17295(14) 0.2792(3) 0.2485(4) 0.0349(15) Uani 1 1 d . . . . .
O3 O 0.15349(17) 0.3424(3) 0.1057(4) 0.0522(19) Uani 1 1 d . . . . .
O4 O 0.23779(11) 0.2814(3) 0.3279(3) 0.0234(12) Uani 1 1 d . . . . .
O5 O 0.21429(12) 0.3430(3) 0.4967(3) 0.0280(13) Uani 1 1 d . . . . .
O6 O 0.19947(12) 0.4090(3) 0.3573(4) 0.0292(13) Uani 1 1 d . . . . .
O7 O 0.06192(15) 0.2445(4) 0.1678(4) 0.0516(18) Uani 1 1 d . . . . .
O8 O 0.08705(14) 0.3241(3) 0.4085(4) 0.0410(16) Uani 1 1 d . . . . .
O9 O 0.11646(16) 0.3699(3) 0.5486(4) 0.0475(18) Uani 1 1 d . . . . .
O10 O 0.14832(13) 0.3301(3) 0.3946(4) 0.0330(14) Uani 1 1 d . . . . .
O11 O 0.10368(14) 0.2030(3) 0.3495(4) 0.0429(16) Uani 1 1 d . . . . .
O12 O 0.09127(16) 0.1042(4) 0.2669(5) 0.056(2) Uani 1 1 d . . . . .
O13 O 0.19985(13) 0.2396(3) 0.6210(3) 0.0285(13) Uani 1 1 d . . . . .
O14 O 0.17168(12) 0.2310(3) 0.4911(3) 0.0299(14) Uani 1 1 d . . . . .
O15 O 0.15295(14) 0.2430(3) 0.6090(4) 0.0429(16) Uani 1 1 d . . . . .
O16 O 0.08748(17) 0.2290(4) 0.5594(5) 0.068(2) Uani 1 1 d . . . . .
H16A H 0.0850 0.1858 0.5527 0.082 Uiso 1 1 d 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 0.0033 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'
Ni Ni 0.3393 1.1124 '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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 C1 C2 123.0(8) . . ?
O1 C1 C5 119.3(8) . . ?
C2 C1 C5 117.6(8) . . ?
C1 C2 C3 117.3(9) . . ?
C1 C2 H2 121.3 . . ?
C3 C2 H2 121.3 . . ?
C4 C3 C2 120.4(9) . . ?
C4 C3 H3 119.8 . . ?
C2 C3 H3 119.8 . . ?
C3 C4 N1 123.0(8) . . ?
C3 C4 H4 118.5 . . ?
N1 C4 H4 118.5 . . ?
N1 C5 N2 120.8(8) . . ?
N1 C5 C1 124.0(8) . . ?
N2 C5 C1 115.1(7) . . ?
N2 C6 C7 125.0(8) . . ?
N2 C6 H6 117.5 . . ?
C7 C6 H6 117.5 . . ?
C6 C7 C12 124.4(8) . . ?
C6 C7 C8 115.5(8) . . ?
C12 C7 C8 120.0(8) . . ?
C9 C8 C7 120.0(9) . . ?
C9 C8 H8 120.0 . . ?
C7 C8 H8 120.0 . . ?
C8 C9 C10 120.2(9) . . ?
C8 C9 H9 119.9 . . ?
C10 C9 H9 119.9 . . ?
C9 C10 C11 120.2(9) . . ?
C9 C10 H10 119.9 . . ?
C11 C10 H10 119.9 . . ?
O3 C11 C12 111.5(8) . . ?
O3 C11 C10 125.8(8) . . ?
C12 C11 C10 122.3(9) . . ?
O2 C12 C11 120.8(8) . . ?
O2 C12 C7 122.2(8) . . ?
C11 C12 C7 117.0(8) . . ?
O3 C13 H13A 109.5 . . ?
O3 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
O3 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
O4 C14 C18 122.9(7) . . ?
O4 C14 C15 123.0(7) . . ?
C18 C14 C15 114.1(7) . . ?
C16 C15 C14 119.3(8) . . ?
C16 C15 H15 120.3 . . ?
C14 C15 H15 120.3 . . ?
C17 C16 C15 120.1(9) . . ?
C17 C16 H16 120.0 . . ?
C15 C16 H16 120.0 . . ?
N3 C17 C16 122.2(8) . . ?
N3 C17 H17 118.9 . . ?
C16 C17 H17 118.9 . . ?
N3 C18 N4 121.1(7) . . ?
N3 C18 C14 125.6(8) . . ?
N4 C18 C14 113.3(7) . . ?
N4 C19 C20 122.8(8) . . ?
N4 C19 H19 118.6 . . ?
C20 C19 H19 118.6 . . ?
C25 C20 C19 125.1(7) 7_556 . ?
C25 C20 C21 118.2(8) 7_556 . ?
C19 C20 C21 116.7(8) . . ?
C22 C21 C20 120.7(9) . . ?
C22 C21 H21 119.6 . . ?
C20 C21 H21 119.6 . . ?
C21 C22 C23 121.1(8) . . ?
C21 C22 H22 119.4 . . ?
C23 C22 H22 119.4 . . ?
C24 C23 C22 119.5(8) 7_556 . ?
C24 C23 H23 120.3 7_556 . ?
C22 C23 H23 120.3 . . ?
C23 C24 C25 121.4(8) 7_556 . ?
C23 C24 O6 125.9(8) 7_556 . ?
C25 C24 O6 112.7(7) . . ?
O5 C25 C24 116.7(8) . . ?
O5 C25 C20 124.3(8) . 7_556 ?
C24 C25 C20 119.0(7) . 7_556 ?
O6 C26 H26A 109.5 . . ?
O6 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
O6 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
O7 C27 C31 119.6(9) . . ?
O7 C27 C28 125.0(10) . . ?
C31 C27 C28 115.4(10) . . ?
C29 C28 C27 121.3(11) . . ?
C29 C28 H28 119.3 . . ?
C27 C28 H28 119.3 . . ?
C28 C29 C30 119.4(12) . . ?
C28 C29 H29 120.3 . . ?
C30 C29 H29 120.3 . . ?
N5 C30 C29 123.3(12) . . ?
N5 C30 H30 118.4 . . ?
C29 C30 H30 118.4 . . ?
C27 C31 N5 123.8(10) . . ?
C27 C31 N6 116.7(9) . . ?
N5 C31 N6 119.4(9) . . ?
N6 C32 C33 126.9(9) . . ?
N6 C32 H32 116.6 . . ?
C33 C32 H32 116.6 . . ?
C32 C33 C38 124.9(9) . . ?
C32 C33 C34 117.9(9) . . ?
C38 C33 C34 116.9(10) . . ?
C35 C34 C33 121.2(10) . . ?
C35 C34 H34 119.4 . . ?
C33 C34 H34 119.4 . . ?
C34 C35 C36 120.6(10) . . ?
C34 C35 H35 119.7 . . ?
C36 C35 H35 119.7 . . ?
C37 C36 C35 119.5(10) . . ?
C37 C36 H36 120.2 . . ?
C35 C36 H36 120.2 . . ?
C36 C37 C38 122.7(10) . . ?
C36 C37 O9 125.0(9) . . ?
C38 C37 O9 112.3(8) . . ?
O8 C38 C33 121.5(10) . . ?
O8 C38 C37 119.4(10) . . ?
C33 C38 C37 119.1(9) . . ?
O9 C39 H39A 109.5 . . ?
O9 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
O9 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
O10 C40 C41 121.3(9) . . ?
O10 C40 C44 120.9(8) . . ?
C41 C40 C44 117.8(9) . . ?
C40 C41 C42 116.4(10) . . ?
C40 C41 H41 121.8 . . ?
C42 C41 H41 121.8 . . ?
C43 C42 C41 119.5(9) . . ?
C43 C42 H42 120.2 . . ?
C41 C42 H42 120.2 . . ?
N7 C43 C42 125.4(10) . . ?
N7 C43 H43 117.3 . . ?
C42 C43 H43 117.3 . . ?
N7 C44 C40 125.9(9) . . ?
N7 C44 N8 115.6(9) . . ?
C40 C44 N8 117.9(8) . . ?
N9 C45 C46 123.5(11) . . ?
N9 C45 H45 118.3 . . ?
C46 C45 H45 118.3 . . ?
C45 C46 C47 118.8(12) . . ?
C45 C46 H46 120.6 . . ?
C47 C46 H46 120.6 . . ?
C46 C47 C48 118.2(11) . . ?
C46 C47 H47 120.9 . . ?
C48 C47 H47 120.9 . . ?
C49 C48 C47 120.0(11) . . ?
C49 C48 H48 120.0 . . ?
C47 C48 H48 120.0 . . ?
C48 C49 N9 121.7(11) . . ?
C48 C49 C50 122.7(10) . . ?
N9 C49 C50 115.6(9) . . ?
O12 C50 O11 111.7(8) . . ?
O12 C50 C51 108.9(8) . . ?
O11 C50 C51 111.3(9) . . ?
O12 C50 C49 102.9(8) . . ?
O11 C50 C49 108.3(8) . . ?
C51 C50 C49 113.4(8) . . ?
C52 C51 N10 119.7(11) . . ?
C52 C51 C50 124.7(12) . . ?
N10 C51 C50 115.5(9) . . ?
C51 C52 C53 121.4(13) . . ?
C51 C52 H52 119.3 . . ?
C53 C52 H52 119.3 . . ?
C54 C53 C52 117.1(12) . . ?
C54 C53 H53 121.5 . . ?
C52 C53 H53 121.5 . . ?
C53 C54 C55 122.0(13) . . ?
C53 C54 H54 119.0 . . ?
C55 C54 H54 119.0 . . ?
N10 C55 C54 120.7(13) . . ?
N10 C55 H55 119.6 . . ?
C54 C55 H55 119.6 . . ?
O12 C56 H56A 109.5 . . ?
O12 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
O12 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
O13 C57 O14 126.6(8) . . ?
O13 C57 O15 120.9(8) . . ?
O14 C57 O15 112.5(9) . . ?
O16 C58 H58A 109.5 . . ?
O16 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
O16 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
O2 Dy1 O5 148.34(19) . . ?
O2 Dy1 O14 121.5(2) . . ?
O5 Dy1 O14 80.6(2) . . ?
O2 Dy1 O10 79.4(2) . . ?
O5 Dy1 O10 91.4(2) . . ?
O14 Dy1 O10 66.46(19) . . ?
O2 Dy1 O4 86.3(2) . . ?
O5 Dy1 O4 88.18(18) . . ?
O14 Dy1 O4 140.81(19) . . ?
O10 Dy1 O4 151.84(18) . . ?
O2 Dy1 O1 135.13(19) . . ?
O5 Dy1 O1 70.58(18) . . ?
O14 Dy1 O1 70.93(18) . . ?
O10 Dy1 O1 135.88(18) . . ?
O4 Dy1 O1 69.92(17) . . ?
O2 Dy1 N2 73.3(2) . . ?
O5 Dy1 N2 136.3(2) . . ?
O14 Dy1 N2 81.6(2) . . ?
O10 Dy1 N2 117.0(2) . . ?
O4 Dy1 N2 81.2(2) . . ?
O1 Dy1 N2 66.0(2) . . ?
O2 Dy1 O6 84.72(19) . . ?
O5 Dy1 O6 63.63(18) . . ?
O14 Dy1 O6 126.76(18) . . ?
O10 Dy1 O6 75.92(19) . . ?
O4 Dy1 O6 78.73(17) . . ?
O1 Dy1 O6 124.48(19) . . ?
N2 Dy1 O6 151.0(2) . . ?
O11 Dy2 O8 72.1(2) . . ?
O11 Dy2 O10 88.8(2) . . ?
O8 Dy2 O10 79.9(2) . . ?
O11 Dy2 O14 104.5(2) . . ?
O8 Dy2 O14 145.9(2) . . ?
O10 Dy2 O14 66.01(18) . . ?
O11 Dy2 O15 145.2(2) . . ?
O8 Dy2 O15 141.3(2) . . ?
O10 Dy2 O15 104.2(2) . . ?
O14 Dy2 O15 55.2(2) . . ?
O11 Dy2 O16 99.1(3) . . ?
O8 Dy2 O16 80.4(2) . . ?
O10 Dy2 O16 155.3(2) . . ?
O14 Dy2 O16 132.7(2) . . ?
O15 Dy2 O16 82.6(3) . . ?
O11 Dy2 N10 67.6(3) . . ?
O8 Dy2 N10 126.6(3) . . ?
O10 Dy2 N10 131.1(3) . . ?
O14 Dy2 N10 78.9(3) . . ?
O15 Dy2 N10 80.0(3) . . ?
O16 Dy2 N10 73.2(3) . . ?
O11 Dy2 O9 136.7(2) . . ?
O8 Dy2 O9 64.7(2) . . ?
O10 Dy2 O9 80.3(2) . . ?
O14 Dy2 O9 108.8(2) . . ?
O15 Dy2 O9 77.9(2) . . ?
O16 Dy2 O9 77.9(3) . . ?
N10 Dy2 O9 145.5(3) . . ?
C5 N1 C4 117.6(8) . . ?
C6 N2 C5 117.5(7) . . ?
C6 N2 Dy1 129.7(6) . . ?
C5 N2 Dy1 112.7(5) . . ?
C17 N3 C18 118.5(8) . . ?
C19 N4 C18 120.5(7) . . ?
C19 N4 Ni1 129.4(6) . 7_556 ?
C18 N4 Ni1 110.1(5) . 7_556 ?
C30 N5 C31 116.6(9) . . ?
C32 N6 C31 121.9(9) . . ?
C32 N6 Ni2 128.5(7) . . ?
C31 N6 Ni2 109.4(6) . . ?
C44 N7 C43 115.0(9) . . ?
C44 N8 Ni2 113.2(6) . . ?
C44 N8 H8A 108.9 . . ?
Ni2 N8 H8A 108.9 . . ?
C44 N8 H8B 108.9 . . ?
Ni2 N8 H8B 108.9 . . ?
H8A N8 H8B 107.7 . . ?
C45 N9 C49 117.7(9) . . ?
C45 N9 Ni2 128.3(7) . . ?
C49 N9 Ni2 113.8(7) . . ?
C55 N10 C51 119.0(10) . . ?
C55 N10 Dy2 125.7(8) . . ?
C51 N10 Dy2 115.0(6) . . ?
N4 Ni1 O13 89.8(2) 7_556 . ?
N4 Ni1 O5 88.6(2) 7_556 . ?
O13 Ni1 O5 93.3(2) . . ?
N4 Ni1 O4 82.3(2) 7_556 7_556 ?
O13 Ni1 O4 93.9(2) . 7_556 ?
O5 Ni1 O4 168.4(2) . 7_556 ?
N4 Ni1 O1 172.0(3) 7_556 . ?
O13 Ni1 O1 90.7(2) . . ?
O5 Ni1 O1 83.4(2) . . ?
O4 Ni1 O1 105.6(2) 7_556 . ?
N4 Ni1 O1 98.9(2) 7_556 7_556 ?
O13 Ni1 O1 170.8(2) . 7_556 ?
O5 Ni1 O1 90.1(2) . 7_556 ?
O4 Ni1 O1 84.2(2) 7_556 7_556 ?
O1 Ni1 O1 81.2(2) . 7_556 ?
N6 Ni2 O7 83.1(3) . . ?
N6 Ni2 O8 87.4(3) . . ?
O7 Ni2 O8 170.3(3) . . ?
N6 Ni2 O11 168.9(3) . . ?
O7 Ni2 O11 107.7(3) . . ?
O8 Ni2 O11 81.9(3) . . ?
N6 Ni2 N9 100.1(3) . . ?
O7 Ni2 N9 90.5(3) . . ?
O8 Ni2 N9 93.3(3) . . ?
O11 Ni2 N9 77.9(3) . . ?
N6 Ni2 N8 95.3(3) . . ?
O7 Ni2 N8 86.1(3) . . ?
O8 Ni2 N8 92.6(3) . . ?
O11 Ni2 N8 88.0(3) . . ?
N9 Ni2 N8 163.7(3) . . ?
C1 O1 Ni1 123.8(5) . . ?
C1 O1 Ni1 118.3(5) . 7_556 ?
Ni1 O1 Ni1 98.8(2) . 7_556 ?
C1 O1 Dy1 112.4(5) . . ?
Ni1 O1 Dy1 97.8(2) . . ?
Ni1 O1 Dy1 101.88(19) 7_556 . ?
C12 O2 Dy1 143.0(6) . . ?
C11 O3 C13 117.0(8) . . ?
C14 O4 Ni1 105.7(5) . 7_556 ?
C14 O4 Dy1 120.4(5) . . ?
Ni1 O4 Dy1 103.25(19) 7_556 . ?
C25 O5 Ni1 125.8(6) . . ?
C25 O5 Dy1 128.1(5) . . ?
Ni1 O5 Dy1 105.5(2) . . ?
C24 O6 C26 117.3(6) . . ?
C24 O6 Dy1 117.2(4) . . ?
C26 O6 Dy1 125.1(5) . . ?
C27 O7 Ni2 111.0(6) . . ?
C38 O8 Ni2 130.0(7) . . ?
C38 O8 Dy2 125.8(7) . . ?
Ni2 O8 Dy2 102.8(2) . . ?
C39 O9 C37 118.1(8) . . ?
C39 O9 Dy2 123.7(6) . . ?
C37 O9 Dy2 117.7(6) . . ?
C40 O10 Dy1 128.4(5) . . ?
C40 O10 Dy2 120.9(5) . . ?
Dy1 O10 Dy2 110.6(2) . . ?
C50 O11 Ni2 113.9(6) . . ?
C50 O11 Dy2 121.5(6) . . ?
Ni2 O11 Dy2 102.2(3) . . ?
C50 O12 C56 112.0(8) . . ?
C57 O13 Ni1 123.6(5) . . ?
C57 O14 Dy1 131.8(6) . . ?
C57 O14 Dy2 95.9(5) . . ?
Dy1 O14 Dy2 112.4(2) . . ?
C57 O15 Dy2 95.4(6) . . ?
C58 O16 Dy2 133.8(7) . . ?
C58 O16 H16A 105.8 . . ?
Dy2 O16 H16A 104.2 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 O1 1.353(10) . ?
C1 C2 1.399(12) . ?
C1 C5 1.407(13) . ?
C2 C3 1.400(12) . ?
C2 H2 0.9500 . ?
C3 C4 1.354(13) . ?
C3 H3 0.9500 . ?
C4 N1 1.345(12) . ?
C4 H4 0.9500 . ?
C5 N1 1.317(10) . ?
C5 N2 1.438(11) . ?
C6 N2 1.296(10) . ?
C6 C7 1.455(12) . ?
C6 H6 0.9500 . ?
C7 C12 1.409(12) . ?
C7 C8 1.440(12) . ?
C8 C9 1.387(14) . ?
C8 H8 0.9500 . ?
C9 C10 1.394(13) . ?
C9 H9 0.9500 . ?
C10 C11 1.373(13) . ?
C10 H10 0.9500 . ?
C11 O3 1.387(10) . ?
C11 C12 1.432(13) . ?
C12 O2 1.276(11) . ?
C13 O3 1.412(12) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 O4 1.315(9) . ?
C14 C18 1.417(11) . ?
C14 C15 1.448(11) . ?
C15 C16 1.378(12) . ?
C15 H15 0.9500 . ?
C16 C17 1.388(13) . ?
C16 H16 0.9500 . ?
C17 N3 1.335(11) . ?
C17 H17 0.9500 . ?
C18 N3 1.322(10) . ?
C18 N4 1.401(11) . ?
C19 N4 1.298(10) . ?
C19 C20 1.462(12) . ?
C19 H19 0.9500 . ?
C20 C25 1.393(12) 7_556 ?
C20 C21 1.452(11) . ?
C21 C22 1.344(13) . ?
C21 H21 0.9500 . ?
C22 C23 1.390(13) . ?
C22 H22 0.9500 . ?
C23 C24 1.378(11) 7_556 ?
C23 H23 0.9500 . ?
C24 C23 1.378(11) 7_556 ?
C24 C25 1.410(12) . ?
C24 O6 1.392(10) . ?
C25 O5 1.329(9) . ?
C25 C20 1.393(12) 7_556 ?
C26 O6 1.460(10) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 O7 1.320(13) . ?
C27 C31 1.414(14) . ?
C27 C28 1.399(15) . ?
C28 C29 1.379(17) . ?
C28 H28 0.9500 . ?
C29 C30 1.355(16) . ?
C29 H29 0.9500 . ?
C30 N5 1.365(13) . ?
C30 H30 0.9500 . ?
C31 N5 1.374(13) . ?
C31 N6 1.428(13) . ?
C32 N6 1.273(11) . ?
C32 C33 1.411(14) . ?
C32 H32 0.9500 . ?
C33 C38 1.424(15) . ?
C33 C34 1.446(13) . ?
C34 C35 1.394(15) . ?
C34 H34 0.9500 . ?
C35 C36 1.371(15) . ?
C35 H35 0.9500 . ?
C36 C37 1.380(13) . ?
C36 H36 0.9500 . ?
C37 C38 1.401(15) . ?
C37 O9 1.394(12) . ?
C38 O8 1.323(11) . ?
C39 O9 1.452(13) . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 O10 1.352(11) . ?
C40 C41 1.378(13) . ?
C40 C44 1.408(13) . ?
C41 C42 1.457(14) . ?
C41 H41 0.9500 . ?
C42 C43 1.316(15) . ?
C42 H42 0.9500 . ?
C43 N7 1.359(13) . ?
C43 H43 0.9500 . ?
C44 N7 1.318(12) . ?
C44 N8 1.436(12) . ?
C45 N9 1.347(13) . ?
C45 C46 1.416(15) . ?
C45 H45 0.9500 . ?
C46 C47 1.355(17) . ?
C46 H46 0.9500 . ?
C47 C48 1.431(17) . ?
C47 H47 0.9500 . ?
C48 C49 1.381(15) . ?
C48 H48 0.9500 . ?
C49 N9 1.360(13) . ?
C49 C50 1.541(14) . ?
C50 O12 1.441(11) . ?
C50 O11 1.386(11) . ?
C50 C51 1.502(15) . ?
C51 C52 1.362(14) . ?
C51 N10 1.391(15) . ?
C52 C53 1.378(18) . ?
C52 H52 0.9500 . ?
C53 C54 1.346(19) . ?
C53 H53 0.9500 . ?
C54 C55 1.381(16) . ?
C54 H54 0.9500 . ?
C55 N10 1.320(13) . ?
C55 H55 0.9500 . ?
C56 O12 1.428(13) . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 O13 1.232(12) . ?
C57 O14 1.313(11) . ?
C57 O15 1.338(11) . ?
C58 O16 1.480(15) . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
Dy1 O2 2.184(6) . ?
Dy1 O5 2.265(6) . ?
Dy1 O14 2.342(5) . ?
Dy1 O10 2.391(6) . ?
Dy1 O4 2.446(5) . ?
Dy1 O1 2.459(5) . ?
Dy1 N2 2.480(6) . ?
Dy1 O6 2.542(5) . ?
Dy2 O11 2.293(7) . ?
Dy2 O8 2.283(7) . ?
Dy2 O10 2.382(5) . ?
Dy2 O14 2.380(6) . ?
Dy2 O15 2.376(7) . ?
Dy2 O16 2.378(8) . ?
Dy2 N10 2.506(8) . ?
Dy2 O9 2.529(6) . ?
N4 Ni1 2.012(6) 7_556 ?
N6 Ni2 2.029(8) . ?
N8 Ni2 2.154(8) . ?
N8 H8A 0.9100 . ?
N8 H8B 0.9100 . ?
N9 Ni2 2.073(8) . ?
Ni1 N4 2.012(6) 7_556 ?
Ni1 O13 2.040(6) . ?
Ni1 O5 2.034(6) . ?
Ni1 O4 2.080(6) 7_556 ?
Ni1 O1 2.074(5) . ?
Ni1 O1 2.111(5) 7_556 ?
Ni2 O7 2.058(7) . ?
Ni2 O8 2.053(6) . ?
Ni2 O11 2.059(7) . ?
O1 Ni1 2.111(5) 7_556 ?
O4 Ni1 2.080(6) 7_556 ?
O16 H16A 0.8500 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N8 H8A O2 0.91 2.29 3.089(11) 146.1 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 C1 C2 C3 -175.4(8) . . . . ?
C5 C1 C2 C3 0.6(12) . . . . ?
C1 C2 C3 C4 0.4(13) . . . . ?
C2 C3 C4 N1 -0.8(15) . . . . ?
O1 C1 C5 N1 174.8(7) . . . . ?
C2 C1 C5 N1 -1.3(13) . . . . ?
O1 C1 C5 N2 -8.3(11) . . . . ?
C2 C1 C5 N2 175.6(7) . . . . ?
N2 C6 C7 C12 -2.8(15) . . . . ?
N2 C6 C7 C8 175.1(9) . . . . ?
C6 C7 C8 C9 179.0(10) . . . . ?
C12 C7 C8 C9 -3.1(16) . . . . ?
C7 C8 C9 C10 1.8(17) . . . . ?
C8 C9 C10 C11 -2.2(18) . . . . ?
C9 C10 C11 O3 176.3(11) . . . . ?
C9 C10 C11 C12 4.0(17) . . . . ?
O3 C11 C12 O2 3.3(14) . . . . ?
C10 C11 C12 O2 176.6(10) . . . . ?
O3 C11 C12 C7 -178.4(8) . . . . ?
C10 C11 C12 C7 -5.1(15) . . . . ?
C6 C7 C12 O2 0.5(15) . . . . ?
C8 C7 C12 O2 -177.2(9) . . . . ?
C6 C7 C12 C11 -177.7(9) . . . . ?
C8 C7 C12 C11 4.6(14) . . . . ?
O4 C14 C15 C16 -177.2(8) . . . . ?
C18 C14 C15 C16 2.1(12) . . . . ?
C14 C15 C16 C17 1.0(14) . . . . ?
C15 C16 C17 N3 -3.3(15) . . . . ?
O4 C14 C18 N3 175.7(8) . . . . ?
C15 C14 C18 N3 -3.6(13) . . . . ?
O4 C14 C18 N4 -4.9(11) . . . . ?
C15 C14 C18 N4 175.8(7) . . . . ?
N4 C19 C20 C25 -6.7(14) . . . 7_556 ?
N4 C19 C20 C21 170.9(8) . . . . ?
C25 C20 C21 C22 1.1(14) 7_556 . . . ?
C19 C20 C21 C22 -176.7(9) . . . . ?
C20 C21 C22 C23 -1.4(15) . . . . ?
C21 C22 C23 C24 1.3(14) . . . 7_556 ?
C23 C24 C25 O5 178.2(8) 7_556 . . . ?
O6 C24 C25 O5 -1.4(11) . . . . ?
C23 C24 C25 C20 -0.8(13) 7_556 . . 7_556 ?
O6 C24 C25 C20 179.6(8) . . . 7_556 ?
O7 C27 C28 C29 179.9(11) . . . . ?
C31 C27 C28 C29 0.6(17) . . . . ?
C27 C28 C29 C30 -3(2) . . . . ?
C28 C29 C30 N5 3(2) . . . . ?
O7 C27 C31 N5 -178.2(10) . . . . ?
C28 C27 C31 N5 1.1(16) . . . . ?
O7 C27 C31 N6 3.9(15) . . . . ?
C28 C27 C31 N6 -176.8(9) . . . . ?
N6 C32 C33 C38 -0.9(17) . . . . ?
N6 C32 C33 C34 173.0(10) . . . . ?
C32 C33 C34 C35 -174.7(10) . . . . ?
C38 C33 C34 C35 -0.4(15) . . . . ?
C33 C34 C35 C36 1.6(17) . . . . ?
C34 C35 C36 C37 -0.4(17) . . . . ?
C35 C36 C37 C38 -2.0(16) . . . . ?
C35 C36 C37 O9 176.6(9) . . . . ?
C32 C33 C38 O8 -6.9(16) . . . . ?
C34 C33 C38 O8 179.2(9) . . . . ?
C32 C33 C38 C37 172.0(9) . . . . ?
C34 C33 C38 C37 -1.9(14) . . . . ?
C36 C37 C38 O8 -177.9(9) . . . . ?
O9 C37 C38 O8 3.4(13) . . . . ?
C36 C37 C38 C33 3.2(15) . . . . ?
O9 C37 C38 C33 -175.5(8) . . . . ?
O10 C40 C41 C42 -179.9(9) . . . . ?
C44 C40 C41 C42 -1.1(14) . . . . ?
C40 C41 C42 C43 0.9(15) . . . . ?
C41 C42 C43 N7 0.1(17) . . . . ?
O10 C40 C44 N7 179.1(9) . . . . ?
C41 C40 C44 N7 0.2(16) . . . . ?
O10 C40 C44 N8 8.2(14) . . . . ?
C41 C40 C44 N8 -170.7(9) . . . . ?
N9 C45 C46 C47 4(2) . . . . ?
C45 C46 C47 C48 -1(2) . . . . ?
C46 C47 C48 C49 0(2) . . . . ?
C47 C48 C49 N9 0(2) . . . . ?
C47 C48 C49 C50 -178.1(13) . . . . ?
C48 C49 C50 O12 78.1(14) . . . . ?
N9 C49 C50 O12 -100.0(10) . . . . ?
C48 C49 C50 O11 -163.4(12) . . . . ?
N9 C49 C50 O11 18.4(13) . . . . ?
C48 C49 C50 C51 -39.3(16) . . . . ?
N9 C49 C50 C51 142.5(10) . . . . ?
O12 C50 C51 C52 -33.4(14) . . . . ?
O11 C50 C51 C52 -157.0(11) . . . . ?
C49 C50 C51 C52 80.6(14) . . . . ?
O12 C50 C51 N10 151.7(9) . . . . ?
O11 C50 C51 N10 28.1(12) . . . . ?
C49 C50 C51 N10 -94.3(11) . . . . ?
N10 C51 C52 C53 -1(2) . . . . ?
C50 C51 C52 C53 -175.9(12) . . . . ?
C51 C52 C53 C54 2(2) . . . . ?
C52 C53 C54 C55 -2(2) . . . . ?
C53 C54 C55 N10 2(2) . . . . ?
N2 C5 N1 C4 -175.7(8) . . . . ?
C1 C5 N1 C4 1.0(13) . . . . ?
C3 C4 N1 C5 0.1(14) . . . . ?
C7 C6 N2 C5 176.5(8) . . . . ?
C7 C6 N2 Dy1 -7.0(14) . . . . ?
N1 C5 N2 C6 -28.2(12) . . . . ?
C1 C5 N2 C6 154.8(8) . . . . ?
N1 C5 N2 Dy1 154.7(6) . . . . ?
C1 C5 N2 Dy1 -22.3(9) . . . . ?
C16 C17 N3 C18 2.0(14) . . . . ?
N4 C18 N3 C17 -177.7(8) . . . . ?
C14 C18 N3 C17 1.6(14) . . . . ?
C20 C19 N4 C18 179.0(8) . . . . ?
C20 C19 N4 Ni1 -1.7(12) . . . 7_556 ?
N3 C18 N4 C19 -15.2(12) . . . . ?
C14 C18 N4 C19 165.3(8) . . . . ?
N3 C18 N4 Ni1 165.3(7) . . . 7_556 ?
C14 C18 N4 Ni1 -14.1(9) . . . 7_556 ?
C29 C30 N5 C31 -1.8(18) . . . . ?
C27 C31 N5 C30 -0.6(16) . . . . ?
N6 C31 N5 C30 177.2(9) . . . . ?
C33 C32 N6 C31 -172.1(10) . . . . ?
C33 C32 N6 Ni2 3.2(15) . . . . ?
C27 C31 N6 C32 175.6(9) . . . . ?
N5 C31 N6 C32 -2.4(15) . . . . ?
C27 C31 N6 Ni2 -0.5(11) . . . . ?
N5 C31 N6 Ni2 -178.5(8) . . . . ?
C40 C44 N7 C43 0.8(15) . . . . ?
N8 C44 N7 C43 171.8(8) . . . . ?
C42 C43 N7 C44 -0.9(16) . . . . ?
N7 C44 N8 Ni2 -90.4(9) . . . . ?
C40 C44 N8 Ni2 81.4(10) . . . . ?
C46 C45 N9 C49 -4.3(18) . . . . ?
C46 C45 N9 Ni2 170.2(10) . . . . ?
C48 C49 N9 C45 2.4(18) . . . . ?
C50 C49 N9 C45 -179.4(10) . . . . ?
C48 C49 N9 Ni2 -172.9(10) . . . . ?
C50 C49 N9 Ni2 5.2(12) . . . . ?
C54 C55 N10 C51 -1.2(17) . . . . ?
C54 C55 N10 Dy2 -174.7(9) . . . . ?
C52 C51 N10 C55 0.9(17) . . . . ?
C50 C51 N10 C55 176.1(9) . . . . ?
C52 C51 N10 Dy2 175.1(9) . . . . ?
C50 C51 N10 Dy2 -9.7(12) . . . . ?
C2 C1 O1 Ni1 -32.2(11) . . . . ?
C5 C1 O1 Ni1 151.8(6) . . . . ?
C2 C1 O1 Ni1 92.5(8) . . . 7_556 ?
C5 C1 O1 Ni1 -83.4(9) . . . 7_556 ?
C2 C1 O1 Dy1 -149.1(7) . . . . ?
C5 C1 O1 Dy1 34.9(9) . . . . ?
C11 C12 O2 Dy1 -165.6(7) . . . . ?
C7 C12 O2 Dy1 16.3(16) . . . . ?
C12 C11 O3 C13 180.0(10) . . . . ?
C10 C11 O3 C13 7.0(16) . . . . ?
C18 C14 O4 Ni1 20.0(9) . . . 7_556 ?
C15 C14 O4 Ni1 -160.7(7) . . . 7_556 ?
C18 C14 O4 Dy1 -96.1(8) . . . . ?
C15 C14 O4 Dy1 83.1(8) . . . . ?
C24 C25 O5 Ni1 159.1(6) . . . . ?
C20 C25 O5 Ni1 -21.9(12) 7_556 . . . ?
C24 C25 O5 Dy1 -10.6(11) . . . . ?
C20 C25 O5 Dy1 168.4(7) 7_556 . . . ?
C23 C24 O6 C26 3.6(12) 7_556 . . . ?
C25 C24 O6 C26 -176.8(8) . . . . ?
C23 C24 O6 Dy1 -169.3(7) 7_556 . . . ?
C25 C24 O6 Dy1 10.3(9) . . . . ?
C31 C27 O7 Ni2 -5.0(12) . . . . ?
C28 C27 O7 Ni2 175.7(9) . . . . ?
C33 C38 O8 Ni2 11.9(14) . . . . ?
C37 C38 O8 Ni2 -167.0(7) . . . . ?
C33 C38 O8 Dy2 175.9(7) . . . . ?
C37 C38 O8 Dy2 -2.9(12) . . . . ?
C36 C37 O9 C39 -9.3(15) . . . . ?
C38 C37 O9 C39 169.4(9) . . . . ?
C36 C37 O9 Dy2 178.9(8) . . . . ?
C38 C37 O9 Dy2 -2.4(10) . . . . ?
C41 C40 O10 Dy1 -88.9(10) . . . . ?
C44 C40 O10 Dy1 92.3(10) . . . . ?
C41 C40 O10 Dy2 95.0(10) . . . . ?
C44 C40 O10 Dy2 -83.8(10) . . . . ?
O12 C50 O11 Ni2 78.8(8) . . . . ?
C51 C50 O11 Ni2 -159.2(6) . . . . ?
C49 C50 O11 Ni2 -33.9(9) . . . . ?
O12 C50 O11 Dy2 -158.3(6) . . . . ?
C51 C50 O11 Dy2 -36.3(10) . . . . ?
C49 C50 O11 Dy2 89.0(9) . . . . ?
O11 C50 O12 C56 52.9(12) . . . . ?
C51 C50 O12 C56 -70.5(10) . . . . ?
C49 C50 O12 C56 168.9(9) . . . . ?
O14 C57 O13 Ni1 26.1(12) . . . . ?
O15 C57 O13 Ni1 -152.3(6) . . . . ?
O13 C57 O14 Dy1 -41.4(12) . . . . ?
O15 C57 O14 Dy1 137.1(6) . . . . ?
O13 C57 O14 Dy2 -168.8(8) . . . . ?
O15 C57 O14 Dy2 9.8(7) . . . . ?
O13 C57 O15 Dy2 168.8(7) . . . . ?
O14 C57 O15 Dy2 -9.8(7) . . . . ?
