#------------------------------------------------------------------------------
#$Date: 2020-06-05 18:25:42 +0300 (Fri, 05 Jun 2020) $
#$Revision: 252943 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/81/1558192.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_1558192
loop_
_publ_author_name
'Perlepe, Panagiota S.'
'Pantelis, Konstantinos N.'
'Cunha-Silva, Luís'
'Bekiari, Vlasoula'
'Escuer, Albert'
'Stamatatos, Theocharis C.'
_publ_section_title
;
 Rare Nuclearities in Ni(II) Cluster Chemistry: An Unprecedented {Ni12}
 Nanosized Cage from the Use of N-Naphthalidene-2-Amino-5-Chlorobenzoic
 Acid
;
_journal_issue                   5
_journal_name_full               Inorganics
_journal_page_first              32
_journal_paper_doi               10.3390/inorganics8050032
_journal_volume                  8
_journal_year                    2020
_chemical_formula_moiety         'C133 H101 Cl5 I2 N9 Ni12 O35, I'
_chemical_formula_sum            'C133 H101 Cl5 I3 N9 Ni12 O35'
_chemical_formula_weight         3647.69
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             '20 November 2018'
_audit_creation_method           'SHELXL-2014/7 and enCIFer'
_cell_angle_alpha                115.783(4)
_cell_angle_beta                 92.992(5)
_cell_angle_gamma                106.118(5)
_cell_formula_units_Z            2
_cell_length_a                   19.422(2)
_cell_length_b                   22.654(3)
_cell_length_c                   25.321(3)
_cell_measurement_reflns_used    8263
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      25.43
_cell_measurement_theta_min      2.48
_cell_volume                     9443(2)
_computing_cell_refinement       'SAINT (Bruker AXS Inc., 2012)'
_computing_data_reduction        'SAINT (Bruker AXS Inc., 2012)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2009)'
_computing_publication_material  'SHELXTL (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS (Sheldrick, 2014)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.974
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_device_type  'Bruker X8 Kappa CCD APEX II'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0478
_diffrn_reflns_av_unetI/netI     0.0595
_diffrn_reflns_Laue_measured_fraction_full 0.974
_diffrn_reflns_Laue_measured_fraction_max 0.974
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            134933
_diffrn_reflns_point_group_measured_fraction_full 0.974
_diffrn_reflns_point_group_measured_fraction_max 0.974
_diffrn_reflns_theta_full        25.027
_diffrn_reflns_theta_max         25.027
_diffrn_reflns_theta_min         3.648
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.786
_exptl_absorpt_correction_T_max  0.931
_exptl_absorpt_correction_T_min  0.675
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
'SADABS V2012/1 (Bruker AXS Inc.)' 
;
_exptl_crystal_colour            Green
_exptl_crystal_density_diffrn    1.283
_exptl_crystal_description       Plate
_exptl_crystal_F_000             3644
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.040
_refine_diff_density_max         1.613
_refine_diff_density_min         -1.594
_refine_diff_density_rms         0.153
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1787
_refine_ls_number_reflns         32481
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.1221
_refine_ls_R_factor_gt           0.0872
_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)+(0.1002P)²+102.1290P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2099
_refine_ls_wR_factor_ref         0.2361
_reflns_Friedel_coverage         0.000
_reflns_number_gt                23114
_reflns_number_total             32481
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            CIF-complex_1.cif
_cod_data_source_block           pp295a_sq
_cod_database_code               1558192
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.695
_shelx_estimated_absorpt_t_max   0.932
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
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ni1 Ni 0.16948(5) 0.48657(5) 0.31737(5) 0.0285(2) Uani 1 1 d . . . . .
Ni2 Ni 0.30562(5) 0.63765(5) 0.37160(4) 0.0237(2) Uani 1 1 d . . . . .
Ni3 Ni 0.27874(5) 0.52739(5) 0.22989(4) 0.0264(2) Uani 1 1 d . . . . .
Ni4 Ni 0.20392(6) 0.43108(6) 0.09767(5) 0.0339(3) Uani 1 1 d . . . . .
Ni5 Ni 0.37983(5) 0.69172(5) 0.26887(4) 0.0264(2) Uani 1 1 d . . . . .
Ni6 Ni 0.35098(5) 0.80210(5) 0.38515(4) 0.0233(2) Uani 1 1 d . . . . .
Ni7 Ni 0.28725(5) 0.78318(5) 0.48840(4) 0.0250(2) Uani 1 1 d . . . . .
Ni8 Ni 0.24330(6) 0.86590(6) 0.63346(5) 0.0358(3) Uani 1 1 d . . . . .
Ni9 Ni 0.14013(6) 0.84936(5) 0.52350(5) 0.0329(3) Uani 1 1 d . . . . .
Ni10 Ni 0.18377(5) 0.59856(5) 0.44066(4) 0.0258(2) Uani 1 1 d . . . . .
Ni11 Ni 0.40652(6) 0.85373(5) 0.60665(5) 0.0308(2) Uani 1 1 d . . . . .
Ni12 Ni 0.35326(6) 0.42545(6) 0.14334(5) 0.0349(3) Uani 1 1 d . . . . .
I1 I 0.31105(5) 0.51071(5) 0.31945(4) 0.0343(2) Uani 0.55 1 d . . P . .
I2 I 0.14372(10) 0.36063(10) 0.25068(9) 0.0651(5) Uani 0.35 1 d . . P . .
I3 I 0.1535(2) 0.3018(2) 0.03600(16) 0.1345(13) Uani 0.3 1 d . . P . .
I4 I 0.1466(3) 0.8724(2) 0.69382(19) 0.1353(15) Uani 0.25 1 d . . P . .
I5 I 0.0480(4) 0.8624(3) 0.5810(4) 0.217(3) Uani 0.25 1 d . . P . .
I6 I 0.3127(2) 0.2975(2) 0.07910(16) 0.1262(12) Uani 0.3 1 d . . P . .
Cl1 Cl 0.04400(19) 0.7984(2) 0.23652(14) 0.0856(11) Uani 1 1 d . . . . .
Cl2 Cl -0.07948(16) 0.67764(17) 0.60996(18) 0.0783(10) Uani 1 1 d . . . . .
Cl3 Cl 0.71932(11) 0.98749(12) 0.53500(11) 0.0430(5) Uani 1 1 d . . . . .
Cl4 Cl 0.71234(12) 0.63010(13) 0.31648(11) 0.0486(6) Uani 1 1 d . . . . .
Cl5 Cl 0.38346(18) 0.65919(16) -0.01296(13) 0.0685(8) Uani 1 1 d . . . . .
O1 O 0.1982(3) 0.5900(3) 0.3603(2) 0.0252(11) Uani 1 1 d . . . . .
O2 O 0.3009(3) 0.6282(3) 0.2868(2) 0.0252(11) Uani 1 1 d . . . . .
O3 O 0.1666(3) 0.5030(3) 0.2399(2) 0.0333(13) Uani 1 1 d . . . . .
O4 O 0.2546(3) 0.4258(3) 0.1677(2) 0.0324(13) Uani 1 1 d . . . . .
O5 O 0.2500(3) 0.5389(3) 0.1563(2) 0.0297(12) Uani 1 1 d . . . . .
O6 O 0.3341(3) 0.6408(3) 0.1786(2) 0.0326(13) Uani 1 1 d . . . . .
O7 O 0.4303(3) 0.7520(3) 0.3611(2) 0.0253(11) Uani 1 1 d . . . . .
O8 O 0.2831(3) 0.7266(2) 0.4002(2) 0.0221(11) Uani 1 1 d . . . . .
O9 O 0.3104(3) 0.8563(3) 0.5749(2) 0.0309(13) Uani 1 1 d . . . . .
O10 O 0.1591(3) 0.7884(3) 0.5579(2) 0.0305(12) Uani 1 1 d . . . . .
O11 O 0.2116(3) 0.9269(3) 0.5998(3) 0.0372(14) Uani 1 1 d . . . . .
O12 O 0.2183(3) 0.8326(3) 0.4683(2) 0.0269(12) Uani 1 1 d . . . . .
O13 O 0.2669(3) 0.8418(3) 0.3927(2) 0.0297(12) Uani 1 1 d . . . . .
O14 O 0.1943(3) 0.7051(3) 0.4910(2) 0.0289(12) Uani 1 1 d . . . . .
O15 O 0.1862(3) 0.5001(3) 0.4046(2) 0.0296(12) Uani 1 1 d . . . . .
O16 O 0.3016(3) 0.6377(3) 0.4557(2) 0.0259(12) Uani 1 1 d . . . . .
O17 O 0.3569(3) 0.7467(3) 0.5250(2) 0.0298(12) Uani 1 1 d . . . . .
O18 O 0.4325(3) 0.9496(3) 0.6767(2) 0.0395(14) Uani 1 1 d . . . . .
O19 O 0.3234(4) 0.9397(3) 0.7050(3) 0.0448(16) Uani 1 1 d . . . . .
O20 O 0.3740(3) 0.8104(3) 0.6598(3) 0.0375(14) Uani 1 1 d . . . . .
O21 O 0.2547(4) 0.7891(3) 0.6488(3) 0.0381(14) Uani 1 1 d . . . . .
O22 O 0.4598(3) 0.9003(3) 0.5598(3) 0.0349(14) Uani 1 1 d . . . . .
O23 O 0.3802(3) 0.8455(3) 0.4743(2) 0.0271(12) Uani 1 1 d . . . . .
O24 O 0.3242(3) 0.7620(3) 0.2964(2) 0.0277(12) Uani 1 1 d . . . . .
O25 O 0.0740(3) 0.5680(3) 0.4106(2) 0.0317(13) Uani 1 1 d . . . . .
O26 O 0.0640(3) 0.4812(3) 0.3178(3) 0.0371(14) Uani 1 1 d . . . . .
O27 O 0.4150(3) 0.6785(3) 0.3996(2) 0.0309(13) Uani 1 1 d . . . . .
O28 O 0.4520(3) 0.6382(3) 0.2628(2) 0.0321(13) Uani 1 1 d . . . . .
O29 O 0.3785(3) 0.5298(3) 0.2049(2) 0.0292(12) Uani 1 1 d . . . . .
O30 O 0.3052(3) 0.4339(3) 0.0750(2) 0.0334(13) Uani 1 1 d . . . . .
O31 O 0.1118(3) 0.4260(3) 0.1296(3) 0.0385(14) Uani 1 1 d . . . . .
O1W O 0.31105(5) 0.51071(5) 0.31945(4) 0.0343(2) Uani 0.45 1 d . . P . .
O2W O 0.14372(10) 0.36063(10) 0.25068(9) 0.0651(5) Uani 0.65 1 d . . P . .
O3W O 0.1535(2) 0.3018(2) 0.03600(16) 0.1345(13) Uani 0.7 1 d . . P . .
O4W O 0.1466(3) 0.8724(2) 0.69382(19) 0.1353(15) Uani 0.75 1 d . . P . .
O5W O 0.0480(4) 0.8624(3) 0.5810(4) 0.217(3) Uani 0.75 1 d . . P . .
O6W O 0.3127(2) 0.2975(2) 0.07910(16) 0.1262(12) Uani 0.7 1 d . . P . .
N1 N 0.1340(4) 0.9210(4) 0.4998(3) 0.0346(17) Uani 1 1 d . . . . .
N2 N 0.0608(4) 0.7663(4) 0.4509(4) 0.0366(17) Uani 1 1 d . . . . .
N3 N 0.1675(3) 0.5903(3) 0.5146(3) 0.0292(15) Uani 1 1 d . . . . .
N4 N 0.4232(3) 0.8861(3) 0.3863(3) 0.0241(14) Uani 1 1 d . . . . .
N5 N 0.5083(4) 0.8403(4) 0.6203(3) 0.0457(19) Uani 1 1 d . . . . .
N6 N 0.4494(4) 0.4585(4) 0.1204(3) 0.0334(16) Uani 1 1 d . . . . .
N7 N 0.3958(4) 0.4102(4) 0.2115(4) 0.0421(18) Uani 1 1 d . . . . .
N8 N 0.4628(4) 0.7597(4) 0.2526(3) 0.0371(17) Uani 1 1 d . . . . .
N9 N 0.1650(4) 0.4666(4) 0.0462(3) 0.0369(17) Uani 1 1 d . . . . .
C1 C 0.2880(5) 0.5850(5) 0.1427(4) 0.036(2) Uani 1 1 d . . . . .
C2 C 0.2038(5) 0.9897(5) 0.6279(4) 0.039(2) Uani 1 1 d . . . . .
C3 C 0.1732(5) 1.0197(4) 0.5989(4) 0.040(2) Uani 1 1 d . . . . .
C4 C 0.1475(4) 0.9854(5) 0.5356(4) 0.040(2) Uani 1 1 d . . . . .
H4 H 0.1396 1.0134 0.5184 0.048 Uiso 1 1 calc R U . . .
C5 C 0.1146(4) 0.8954(4) 0.4373(4) 0.035(2) Uani 1 1 d . . . . .
C6 C 0.1524(4) 0.8571(4) 0.3998(4) 0.0319(19) Uani 1 1 d . . . . .
C7 C 0.2176(4) 0.8431(4) 0.4228(4) 0.0311(19) Uani 1 1 d . . . . .
C8 C 0.1325(5) 0.8298(5) 0.3381(4) 0.038(2) Uani 1 1 d . . . . .
H8 H 0.1600 0.8053 0.3124 0.046 Uiso 1 1 calc R U . . .
C9 C 0.0735(6) 0.8385(5) 0.3146(5) 0.053(3) Uani 1 1 d . . . . .
C10 C 0.0343(5) 0.8764(6) 0.3513(5) 0.051(3) Uani 1 1 d . . . . .
H10 H -0.0065 0.8822 0.3343 0.061 Uiso 1 1 calc R U . . .
C11 C 0.0547(5) 0.9056(5) 0.4125(5) 0.047(2) Uani 1 1 d . . . . .
H11 H 0.0288 0.9325 0.4380 0.056 Uiso 1 1 calc R U . . .
C12 C 0.1721(5) 1.0903(5) 0.6342(5) 0.048(3) Uani 1 1 d . . . . .
C13 C 0.1988(5) 1.1250(5) 0.6966(5) 0.052(3) Uani 1 1 d . . . . .
C14 C 0.2265(6) 1.0918(5) 0.7234(5) 0.054(3) Uani 1 1 d . . . . .
H14 H 0.2435 1.1156 0.7656 0.065 Uiso 1 1 calc R U . . .
C15 C 0.2302(6) 1.0267(5) 0.6917(5) 0.054(3) Uani 1 1 d . . . . .
H15 H 0.2501 1.0061 0.7115 0.064 Uiso 1 1 calc R U . . .
C16 C 0.1963(7) 1.1937(6) 0.7305(6) 0.071(4) Uani 1 1 d . . . . .
H16 H 0.2131 1.2168 0.7727 0.086 Uiso 1 1 calc R U . . .
C17 C 0.1714(7) 1.2266(6) 0.7052(7) 0.075(4) Uani 1 1 d . . . . .
H17 H 0.1707 1.2723 0.7289 0.090 Uiso 1 1 calc R U . . .
C18 C 0.1463(6) 1.1923(6) 0.6430(7) 0.070(4) Uani 1 1 d . . . . .
H18 H 0.1301 1.2160 0.6245 0.085 Uiso 1 1 calc R U . . .
C19 C 0.1446(5) 1.1250(5) 0.6080(5) 0.053(3) Uani 1 1 d . . . . .
H19 H 0.1250 1.1021 0.5662 0.064 Uiso 1 1 calc R U . . .
C20 C 0.0238(5) 0.7312(4) 0.4051(5) 0.037(2) Uani 1 1 d . . . . .
C21 C -0.0227(5) 0.6889(5) 0.3450(4) 0.047(2) Uani 1 1 d . . . . .
H21A H -0.0242 0.7188 0.3266 0.071 Uiso 1 1 calc R U . . .
H21B H -0.0723 0.6667 0.3480 0.071 Uiso 1 1 calc R U . . .
H21C H -0.0026 0.6532 0.3203 0.071 Uiso 1 1 calc R U . . .
C22 C 0.1575(4) 0.7253(4) 0.5302(3) 0.0261(17) Uani 1 1 d . . . . .
C23 C 0.2253(5) 0.4827(4) 0.4351(4) 0.0337(19) Uani 1 1 d . . . . .
C24 C 0.2381(4) 0.5121(4) 0.4975(4) 0.0305(18) Uani 1 1 d . . . . .
C25 C 0.1969(5) 0.5547(4) 0.5310(4) 0.035(2) Uani 1 1 d . . . . .
H25 H 0.1909 0.5568 0.5687 0.042 Uiso 1 1 calc R U . . .
C26 C 0.1133(4) 0.6144(4) 0.5425(3) 0.0292(18) Uani 1 1 d . . . . .
C27 C 0.1051(4) 0.6768(4) 0.5466(4) 0.0304(18) Uani 1 1 d . . . . .
C28 C 0.0465(5) 0.6959(5) 0.5694(4) 0.039(2) Uani 1 1 d . . . . .
H28 H 0.0421 0.7387 0.5744 0.047 Uiso 1 1 calc R U . . .
C29 C -0.0053(5) 0.6538(6) 0.5849(5) 0.050(3) Uani 1 1 d . . . . .
C30 C 0.0026(5) 0.5943(5) 0.5813(5) 0.045(2) Uani 1 1 d . . . . .
H30 H -0.0321 0.5665 0.5936 0.054 Uiso 1 1 calc R U . . .
C31 C 0.0608(5) 0.5741(4) 0.5599(4) 0.037(2) Uani 1 1 d . . . . .
H31 H 0.0650 0.5320 0.5570 0.044 Uiso 1 1 calc R U . . .
C32 C 0.2843(5) 0.4915(5) 0.5294(4) 0.036(2) Uani 1 1 d . . . . .
C33 C 0.3106(5) 0.4372(5) 0.4955(5) 0.047(2) Uani 1 1 d . . . . .
C34 C 0.2938(5) 0.4055(5) 0.4323(5) 0.045(2) Uani 1 1 d . . . . .
H34 H 0.3111 0.3685 0.4096 0.054 Uiso 1 1 calc R U . . .
C35 C 0.2540(5) 0.4266(5) 0.4034(4) 0.039(2) Uani 1 1 d . . . . .
H35 H 0.2443 0.4041 0.3609 0.047 Uiso 1 1 calc R U . . .
C36 C 0.3530(6) 0.4149(6) 0.5255(5) 0.056(3) Uani 1 1 d . . . . .
H36 H 0.3694 0.3773 0.5029 0.067 Uiso 1 1 calc R U . . .
C37 C 0.3705(6) 0.4470(6) 0.5867(6) 0.059(3) Uani 1 1 d . . . . .
H37 H 0.3988 0.4315 0.6063 0.070 Uiso 1 1 calc R U . . .
C38 C 0.3472(5) 0.5020(6) 0.6198(5) 0.051(3) Uani 1 1 d . . . . .
H38 H 0.3598 0.5245 0.6623 0.062 Uiso 1 1 calc R U . . .
C39 C 0.3056(5) 0.5243(5) 0.5916(5) 0.049(2) Uani 1 1 d . . . . .
H39 H 0.2911 0.5630 0.6151 0.058 Uiso 1 1 calc R U . . .
C40 C 0.3508(4) 0.6837(4) 0.5013(4) 0.0274(18) Uani 1 1 d . . . . .
C41 C 0.3921(6) 0.9685(5) 0.7129(4) 0.046(2) Uani 1 1 d . . . . .
C42 C 0.4301(7) 1.0304(7) 0.7726(5) 0.077(4) Uani 1 1 d . . . . .
C43 C 0.5026(9) 1.0698(8) 0.7795(6) 0.108(6) Uani 1 1 d . . . . .
H43 H 0.5280 1.0555 0.7476 0.130 Uiso 1 1 calc R U . . .
C44 C 0.5378(12) 1.1303(12) 0.8332(10) 0.144(7) Uani 1 1 d . U . . .
H44 H 0.5871 1.1578 0.8390 0.172 Uiso 1 1 calc R U . . .
C45 C 0.4954(14) 1.1488(14) 0.8792(11) 0.167(9) Uani 1 1 d . U . . .
H45 H 0.5159 1.1917 0.9149 0.201 Uiso 1 1 calc R U . . .
C46 C 0.4250(13) 1.1054(12) 0.8730(10) 0.151(8) Uani 1 1 d . U . . .
H46 H 0.4007 1.1150 0.9059 0.181 Uiso 1 1 calc R U . . .
C47 C 0.3917(10) 1.0487(8) 0.8184(6) 0.121(7) Uani 1 1 d . . . . .
H47 H 0.3419 1.0217 0.8119 0.145 Uiso 1 1 calc R U . . .
C48 C 0.3089(5) 0.7813(4) 0.6628(4) 0.038(2) Uani 1 1 d . . . . .
C49 C 0.3052(6) 0.7334(5) 0.6916(4) 0.050(3) Uani 1 1 d . . . . .
C50 C 0.3681(6) 0.7294(6) 0.7182(5) 0.055(3) Uani 1 1 d . . . . .
H50 H 0.4154 0.7572 0.7192 0.066 Uiso 1 1 calc R U . . .
C51 C 0.3608(7) 0.6849(7) 0.7430(5) 0.069(3) Uani 1 1 d . . . . .
H51 H 0.4031 0.6821 0.7611 0.083 Uiso 1 1 calc R U . . .
C52 C 0.2929(8) 0.6450(7) 0.7415(6) 0.075(4) Uani 1 1 d . . . . .
H52 H 0.2886 0.6148 0.7589 0.090 Uiso 1 1 calc R U . . .
C53 C 0.2309(8) 0.6472(6) 0.7155(6) 0.068(3) Uani 1 1 d . . . . .
H53 H 0.1843 0.6182 0.7143 0.081 Uiso 1 1 calc R U . . .
C54 C 0.2364(6) 0.6921(5) 0.6907(5) 0.055(3) Uani 1 1 d . . . . .
H54 H 0.1935 0.6947 0.6734 0.066 Uiso 1 1 calc R U . . .
C55 C 0.4430(4) 0.8846(4) 0.5059(3) 0.0247(17) Uani 1 1 d . . . . .
C56 C 0.5023(4) 0.9133(4) 0.4793(4) 0.0265(17) Uani 1 1 d . . . . .
C57 C 0.4928(4) 0.9172(4) 0.4251(3) 0.0241(16) Uani 1 1 d . . . . .
C58 C 0.4083(4) 0.9094(4) 0.3502(4) 0.0303(18) Uani 1 1 d . . . . .
H58 H 0.4405 0.9533 0.3571 0.036 Uiso 1 1 calc R U . . .
C59 C 0.3465(5) 0.8743(4) 0.3001(4) 0.0332(19) Uani 1 1 d . . . . .
C60 C 0.3104(4) 0.8021(5) 0.2746(4) 0.0319(19) Uani 1 1 d . . . . .
C61 C 0.2531(5) 0.7685(5) 0.2215(4) 0.042(2) Uani 1 1 d . . . . .
H61 H 0.2307 0.7194 0.2020 0.050 Uiso 1 1 calc R U . . .
C62 C 0.2316(6) 0.8065(5) 0.1999(5) 0.050(3) Uani 1 1 d . . . . .
H62 H 0.1907 0.7839 0.1676 0.060 Uiso 1 1 calc R U . . .
C63 C 0.2670(6) 0.8778(5) 0.2228(4) 0.048(2) Uani 1 1 d . . . . .
C64 C 0.3246(5) 0.9133(5) 0.2742(4) 0.044(2) Uani 1 1 d . . . . .
C65 C 0.3582(6) 0.9856(5) 0.2958(5) 0.059(3) Uani 1 1 d . . . . .
H65 H 0.3968 1.0112 0.3300 0.071 Uiso 1 1 calc R U . . .
C66 C 0.3357(8) 1.0194(6) 0.2679(6) 0.081(4) Uani 1 1 d . . . . .
H66 H 0.3607 1.0676 0.2821 0.097 Uiso 1 1 calc R U . . .
C67 C 0.2763(9) 0.9841(7) 0.2187(6) 0.098(5) Uani 1 1 d . . . . .
H67 H 0.2598 1.0082 0.2009 0.117 Uiso 1 1 calc R U . . .
C68 C 0.2436(8) 0.9149(7) 0.1977(6) 0.083(4) Uani 1 1 d . . . . .
H68 H 0.2034 0.8906 0.1647 0.100 Uiso 1 1 calc R U . . .
C69 C 0.5550(4) 0.9468(4) 0.4079(4) 0.0321(19) Uani 1 1 d . . . . .
H69 H 0.5494 0.9502 0.3719 0.039 Uiso 1 1 calc R U . . .
C70 C 0.6247(4) 0.9714(4) 0.4420(4) 0.0321(19) Uani 1 1 d . . . . .
H70 H 0.6662 0.9924 0.4302 0.038 Uiso 1 1 calc R U . . .
C71 C 0.6327(4) 0.9648(4) 0.4931(4) 0.0293(18) Uani 1 1 d . . . . .
C72 C 0.5725(4) 0.9374(4) 0.5126(4) 0.0292(18) Uani 1 1 d . . . . .
H72 H 0.5793 0.9349 0.5489 0.035 Uiso 1 1 calc R U . . .
C73 C 0.5583(6) 0.8231(6) 0.6152(5) 0.056(3) Uani 1 1 d . . . . .
C74 C 0.6210(7) 0.7996(9) 0.6105(8) 0.114(6) Uani 1 1 d . . . . .
H74A H 0.6481 0.8157 0.6507 0.171 Uiso 1 1 calc R U . . .
H74B H 0.6529 0.8185 0.5888 0.171 Uiso 1 1 calc R U . . .
H74C H 0.6044 0.7487 0.5888 0.171 Uiso 1 1 calc R U . . .
C75 C 0.4009(4) 0.6559(4) 0.5239(4) 0.0312(19) Uani 1 1 d . . . . .
C76 C 0.4172(5) 0.5992(5) 0.4829(4) 0.040(2) Uani 1 1 d . . . . .
H76 H 0.3955 0.5776 0.4417 0.048 Uiso 1 1 calc R U . . .
C77 C 0.4657(5) 0.5741(5) 0.5025(4) 0.043(2) Uani 1 1 d . . . . .
H77 H 0.4784 0.5365 0.4744 0.051 Uiso 1 1 calc R U . . .
C78 C 0.4949(6) 0.6035(6) 0.5623(5) 0.051(3) Uani 1 1 d . . . . .
H78 H 0.5274 0.5860 0.5756 0.062 Uiso 1 1 calc R U . . .
C79 C 0.4771(6) 0.6577(6) 0.6025(5) 0.058(3) Uani 1 1 d . . . . .
H79 H 0.4974 0.6777 0.6439 0.070 Uiso 1 1 calc R U . . .
C80 C 0.4296(5) 0.6844(5) 0.5841(4) 0.047(2) Uani 1 1 d . . . . .
H80 H 0.4171 0.7218 0.6127 0.057 Uiso 1 1 calc R U . . .
C81 C 0.0404(4) 0.5238(4) 0.3577(4) 0.0282(18) Uani 1 1 d . . . . .
C82 C -0.0355(4) 0.5227(4) 0.3409(4) 0.034(2) Uani 1 1 d . . . . .
C83 C -0.0677(5) 0.4944(5) 0.2805(5) 0.048(2) Uani 1 1 d . . . . .
H83 H -0.0425 0.4739 0.2500 0.057 Uiso 1 1 calc R U . . .
C84 C -0.1368(6) 0.4964(6) 0.2653(6) 0.059(3) Uani 1 1 d . . . . .
H84 H -0.1580 0.4785 0.2244 0.070 Uiso 1 1 calc R U . . .
C85 C -0.1739(7) 0.5238(6) 0.3083(7) 0.073(4) Uani 1 1 d . . . . .
H85 H -0.2211 0.5244 0.2973 0.088 Uiso 1 1 calc R U . . .
C86 C -0.1439(6) 0.5506(6) 0.3677(7) 0.066(4) Uani 1 1 d . . . . .
H86 H -0.1712 0.5680 0.3974 0.079 Uiso 1 1 calc R U . . .
C87 C -0.0731(5) 0.5523(5) 0.3847(5) 0.045(2) Uani 1 1 d . . . . .
H87 H -0.0511 0.5737 0.4258 0.055 Uiso 1 1 calc R U . . .
C88 C 0.4549(4) 0.7234(4) 0.3878(3) 0.0255(17) Uani 1 1 d . . . . .
C89 C 0.5366(4) 0.7436(4) 0.4056(4) 0.0287(18) Uani 1 1 d . . . . .
C90 C 0.5815(5) 0.7875(5) 0.3868(4) 0.041(2) Uani 1 1 d . . . . .
H90 H 0.5606 0.8038 0.3633 0.049 Uiso 1 1 calc R U . . .
C91 C 0.6575(5) 0.8074(5) 0.4029(5) 0.047(2) Uani 1 1 d . . . . .
H91 H 0.6884 0.8375 0.3905 0.056 Uiso 1 1 calc R U . . .
C92 C 0.6875(5) 0.7837(6) 0.4364(5) 0.054(3) Uani 1 1 d . . . . .
H92 H 0.7392 0.7975 0.4476 0.065 Uiso 1 1 calc R U . . .
C93 C 0.6422(5) 0.7394(6) 0.4540(5) 0.059(3) Uani 1 1 d . . . . .
H93 H 0.6630 0.7226 0.4771 0.070 Uiso 1 1 calc R U . . .
C94 C 0.5672(5) 0.7194(6) 0.4385(5) 0.049(3) Uani 1 1 d . . . . .
H94 H 0.5368 0.6888 0.4507 0.058 Uiso 1 1 calc R U . . .
C95 C 0.4414(4) 0.5748(4) 0.2298(3) 0.0304(18) Uani 1 1 d . . . . .
C96 C 0.3240(5) 0.4115(4) 0.0220(4) 0.035(2) Uani 1 1 d . . . . .
C97 C 0.3970(5) 0.4179(5) 0.0161(4) 0.038(2) Uani 1 1 d . . . . .
C98 C 0.4559(5) 0.4517(5) 0.0673(4) 0.038(2) Uani 1 1 d . . . . .
H98 H 0.5035 0.4707 0.0620 0.046 Uiso 1 1 calc R U . . .
C99 C 0.5118(5) 0.4980(5) 0.1675(4) 0.040(2) Uani 1 1 d . . . . .
C100 C 0.5086(5) 0.5538(5) 0.2213(4) 0.037(2) Uani 1 1 d . . . . .
C101 C 0.5710(4) 0.5940(5) 0.2667(4) 0.0332(19) Uani 1 1 d . . . . .
H101 H 0.5700 0.6323 0.3026 0.040 Uiso 1 1 calc R U . . .
C102 C 0.6347(5) 0.5770(5) 0.2587(4) 0.039(2) Uani 1 1 d . . . . .
C103 C 0.6392(5) 0.5244(5) 0.2061(4) 0.045(2) Uani 1 1 d . . . . .
H103 H 0.6838 0.5151 0.2009 0.053 Uiso 1 1 calc R U . . .
C104 C 0.5783(5) 0.4858(5) 0.1617(4) 0.046(2) Uani 1 1 d . . . . .
H104 H 0.5813 0.4491 0.1256 0.056 Uiso 1 1 calc R U . . .
C105 C 0.4134(5) 0.3947(5) -0.0446(4) 0.039(2) Uani 1 1 d . . . . .
C106 C 0.3558(5) 0.3682(5) -0.0940(4) 0.042(2) Uani 1 1 d . . . . .
C107 C 0.2839(5) 0.3635(5) -0.0852(4) 0.045(2) Uani 1 1 d . . . . .
H107 H 0.2456 0.3467 -0.1184 0.054 Uiso 1 1 calc R U . . .
C108 C 0.2690(5) 0.3829(5) -0.0293(4) 0.042(2) Uani 1 1 d . . . . .
H108 H 0.2197 0.3769 -0.0247 0.051 Uiso 1 1 calc R U . . .
C109 C 0.3705(6) 0.3450(5) -0.1528(4) 0.048(2) Uani 1 1 d . . . . .
H109 H 0.3320 0.3266 -0.1862 0.057 Uiso 1 1 calc R U . . .
C110 C 0.4410(6) 0.3493(5) -0.1613(5) 0.048(2) Uani 1 1 d . . . . .
H110 H 0.4512 0.3345 -0.2005 0.057 Uiso 1 1 calc R U . . .
C111 C 0.4964(6) 0.3750(6) -0.1130(4) 0.050(3) Uani 1 1 d . . . . .
H111 H 0.5445 0.3767 -0.1195 0.060 Uiso 1 1 calc R U . . .
C112 C 0.4843(6) 0.3985(5) -0.0553(4) 0.049(2) Uani 1 1 d . . . . .
H112 H 0.5240 0.4173 -0.0227 0.059 Uiso 1 1 calc R U . . .
C113 C 0.4115(7) 0.4076(7) 0.2534(6) 0.065(3) Uani 1 1 d . . . . .
C114 C 0.4299(11) 0.4057(12) 0.3101(8) 0.136(8) Uani 1 1 d . . . . .
H11D H 0.3929 0.4160 0.3342 0.205 Uiso 1 1 calc R U . . .
H11E H 0.4780 0.4404 0.3324 0.205 Uiso 1 1 calc R U . . .
H11F H 0.4311 0.3593 0.3011 0.205 Uiso 1 1 calc R U . . .
C115 C 0.5178(6) 0.7919(5) 0.2495(5) 0.056(3) Uani 1 1 d . . . . .
C116 C 0.5911(7) 0.8286(7) 0.2498(9) 0.119(7) Uani 1 1 d . . . . .
H11A H 0.6037 0.8780 0.2784 0.178 Uiso 1 1 calc R U . . .
H11B H 0.5946 0.8235 0.2097 0.178 Uiso 1 1 calc R U . . .
H11C H 0.6250 0.8095 0.2616 0.178 Uiso 1 1 calc R U . . .
C117 C 0.2759(5) 0.5693(5) 0.0778(4) 0.036(2) Uani 1 1 d . . . . .
C118 C 0.2177(5) 0.5146(5) 0.0330(4) 0.045(2) Uani 1 1 d . . . . .
C119 C 0.0967(5) 0.4550(5) 0.0299(4) 0.045(2) Uani 1 1 d . . . . .
H119 H 0.0846 0.4733 0.0048 0.053 Uiso 1 1 calc R U . . .
C120 C 0.0369(5) 0.4166(5) 0.0464(4) 0.041(2) Uani 1 1 d . . . . .
C121 C 0.0486(5) 0.4091(5) 0.0979(4) 0.041(2) Uani 1 1 d . . . . .
C122 C -0.0152(6) 0.3830(6) 0.1179(4) 0.056(3) Uani 1 1 d . . . . .
H122 H -0.0091 0.3807 0.1544 0.067 Uiso 1 1 calc R U . . .
C123 C -0.0839(6) 0.3615(7) 0.0865(5) 0.069(3) Uani 1 1 d . . . . .
H123 H -0.1244 0.3448 0.1017 0.083 Uiso 1 1 calc R U . . .
C124 C -0.0970(6) 0.3632(6) 0.0318(5) 0.062(3) Uani 1 1 d . . . . .
C125 C -0.0358(6) 0.3915(5) 0.0117(4) 0.051(3) Uani 1 1 d . . . . .
C126 C -0.0495(6) 0.3916(6) -0.0435(5) 0.068(3) Uani 1 1 d . . . . .
H126 H -0.0098 0.4110 -0.0580 0.082 Uiso 1 1 calc R U . . .
C127 C -0.1201(7) 0.3637(6) -0.0772(6) 0.074(4) Uani 1 1 d . . . . .
H127 H -0.1286 0.3650 -0.1139 0.089 Uiso 1 1 calc R U . . .
C128 C -0.1778(7) 0.3342(7) -0.0569(6) 0.080(4) Uani 1 1 d . . . . .
H128 H -0.2257 0.3129 -0.0810 0.096 Uiso 1 1 calc R U . . .
C129 C -0.1669(6) 0.3353(7) -0.0025(6) 0.077(4) Uani 1 1 d . . . . .
H129 H -0.2074 0.3169 0.0117 0.092 Uiso 1 1 calc R U . . .
C130 C 0.2129(6) 0.5040(6) -0.0263(4) 0.050(3) Uani 1 1 d . . . . .
H130 H 0.1743 0.4661 -0.0569 0.060 Uiso 1 1 calc R U . . .
C131 C 0.2636(6) 0.5481(6) -0.0403(4) 0.053(3) Uani 1 1 d . . . . .
H131 H 0.2599 0.5411 -0.0803 0.064 Uiso 1 1 calc R U . . .
C132 C 0.3193(6) 0.6020(5) 0.0036(4) 0.050(3) Uani 1 1 d . . . . .
C133 C 0.3257(5) 0.6140(5) 0.0635(4) 0.043(2) Uani 1 1 d . . . . .
H133 H 0.3641 0.6525 0.0937 0.052 Uiso 1 1 calc R U . . .
I7 I 0.13156(5) 0.64554(5) 0.27877(4) 0.0395(2) Uani 0.65 1 d . . P . .
I8 I -0.05583(15) 0.92136(14) 0.55203(12) 0.0763(7) Uani 0.35 1 d . . 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'
Cl Cl 0.1484 0.1585 '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'
I I -0.4742 1.8119 '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 Ni1 O26 88.6(2) . . ?
O1 Ni1 O15 82.2(2) . . ?
O26 Ni1 O15 91.9(2) . . ?
O1 Ni1 O3 82.4(2) . . ?
O26 Ni1 O3 90.8(2) . . ?
O15 Ni1 O3 164.3(2) . . ?
O1 Ni1 I2 170.42(16) . . ?
O26 Ni1 I2 96.22(17) . . ?
O15 Ni1 I2 105.81(16) . . ?
O3 Ni1 I2 89.23(16) . . ?
O1 Ni1 I1 84.24(15) . . ?
O26 Ni1 I1 172.41(17) . . ?
O15 Ni1 I1 89.57(15) . . ?
O3 Ni1 I1 85.83(15) . . ?
I2 Ni1 I1 90.53(6) . . ?
O1 Ni1 Ni10 41.79(14) . . ?
O26 Ni1 Ni10 79.51(17) . . ?
O15 Ni1 Ni10 42.75(15) . . ?
O3 Ni1 Ni10 122.98(16) . . ?
I2 Ni1 Ni10 147.33(6) . . ?
I1 Ni1 Ni10 96.66(4) . . ?
O1 Ni2 O8 86.7(2) . . ?
O1 Ni2 O27 165.4(2) . . ?
O8 Ni2 O27 98.6(2) . . ?
O1 Ni2 O2 95.4(2) . . ?
O8 Ni2 O2 90.3(2) . . ?
O27 Ni2 O2 98.2(2) . . ?
O1 Ni2 O16 79.7(2) . . ?
O8 Ni2 O16 92.6(2) . . ?
O27 Ni2 O16 86.4(2) . . ?
O2 Ni2 O16 174.2(2) . . ?
O1 Ni2 I1 84.46(15) . . ?
O8 Ni2 I1 168.97(15) . . ?
O27 Ni2 I1 91.56(16) . . ?
O2 Ni2 I1 83.94(15) . . ?
O16 Ni2 I1 92.43(14) . . ?
O2 Ni3 O4 176.5(2) . . ?
O2 Ni3 O5 93.3(2) . . ?
O4 Ni3 O5 83.3(2) . . ?
O2 Ni3 O29 100.1(2) . . ?
O4 Ni3 O29 79.7(2) . . ?
O5 Ni3 O29 86.4(2) . . ?
O2 Ni3 O3 91.8(2) . . ?
O4 Ni3 O3 88.2(2) . . ?
O5 Ni3 O3 90.1(2) . . ?
O29 Ni3 O3 167.7(2) . . ?
O2 Ni3 I1 87.64(15) . . ?
O4 Ni3 I1 95.82(16) . . ?
O5 Ni3 I1 178.56(16) . . ?
O29 Ni3 I1 94.52(15) . . ?
O3 Ni3 I1 88.73(15) . . ?
O31 Ni4 N9 87.9(3) . . ?
O31 Ni4 O4 91.2(2) . . ?
N9 Ni4 O4 162.9(3) . . ?
O31 Ni4 O30 171.3(2) . . ?
N9 Ni4 O30 100.6(3) . . ?
O4 Ni4 O30 80.2(2) . . ?
O31 Ni4 O5 91.7(2) . . ?
N9 Ni4 O5 81.2(2) . . ?
O4 Ni4 O5 81.8(2) . . ?
O30 Ni4 O5 87.9(2) . . ?
O31 Ni4 I3 87.8(2) . . ?
N9 Ni4 I3 104.0(2) . . ?
O4 Ni4 I3 93.02(18) . . ?
O30 Ni4 I3 91.76(18) . . ?
O5 Ni4 I3 174.78(17) . . ?
O2 Ni5 O24 88.2(2) . . ?
O2 Ni5 O28 94.6(2) . . ?
O24 Ni5 O28 165.3(2) . . ?
O2 Ni5 O6 93.1(2) . . ?
O24 Ni5 O6 97.9(2) . . ?
O28 Ni5 O6 96.3(2) . . ?
O2 Ni5 N8 178.5(2) . . ?
O24 Ni5 N8 91.2(3) . . ?
O28 Ni5 N8 85.6(3) . . ?
O6 Ni5 N8 88.4(2) . . ?
O2 Ni5 O7 91.08(19) . . ?
O24 Ni5 O7 79.7(2) . . ?
O28 Ni5 O7 85.9(2) . . ?
O6 Ni5 O7 175.1(2) . . ?
N8 Ni5 O7 87.4(2) . . ?
O24 Ni6 O23 177.9(2) . . ?
O24 Ni6 N4 87.9(2) . . ?
O23 Ni6 N4 90.0(2) . . ?
O24 Ni6 O8 102.2(2) . . ?
O23 Ni6 O8 79.8(2) . . ?
N4 Ni6 O8 169.8(2) . . ?
O24 Ni6 O13 88.7(2) . . ?
O23 Ni6 O13 91.2(2) . . ?
N4 Ni6 O13 93.4(2) . . ?
O8 Ni6 O13 86.2(2) . . ?
O24 Ni6 O7 81.3(2) . . ?
O23 Ni6 O7 98.8(2) . . ?
N4 Ni6 O7 87.7(2) . . ?
O8 Ni6 O7 94.56(19) . . ?
O13 Ni6 O7 170.0(2) . . ?
O8 Ni7 O9 166.7(2) . . ?
O8 Ni7 O23 77.9(2) . . ?
O9 Ni7 O23 89.0(2) . . ?
O8 Ni7 O17 100.5(2) . . ?
O9 Ni7 O17 80.7(2) . . ?
O23 Ni7 O17 89.1(2) . . ?
O8 Ni7 O12 90.0(2) . . ?
O9 Ni7 O12 89.0(2) . . ?
O23 Ni7 O12 92.3(2) . . ?
O17 Ni7 O12 169.5(2) . . ?
O8 Ni7 O14 94.1(2) . . ?
O9 Ni7 O14 99.2(2) . . ?
O23 Ni7 O14 170.9(2) . . ?
O17 Ni7 O14 88.2(2) . . ?
O12 Ni7 O14 92.0(2) . . ?
O21 Ni8 O9 95.1(2) . . ?
O21 Ni8 O19 92.5(3) . . ?
O9 Ni8 O19 94.0(2) . . ?
O21 Ni8 O11 166.2(3) . . ?
O9 Ni8 O11 84.0(2) . . ?
O19 Ni8 O11 101.3(3) . . ?
O21 Ni8 O10 87.7(2) . . ?
O9 Ni8 O10 85.8(2) . . ?
O19 Ni8 O10 179.8(3) . . ?
O11 Ni8 O10 78.5(2) . . ?
O21 Ni8 I4 88.2(2) . . ?
O9 Ni8 I4 172.00(19) . . ?
O19 Ni8 I4 93.1(2) . . ?
O11 Ni8 I4 91.07(19) . . ?
O10 Ni8 I4 87.02(17) . . ?
N1 Ni9 O10 171.2(3) . . ?
N1 Ni9 O11 88.4(3) . . ?
O10 Ni9 O11 82.9(2) . . ?
N1 Ni9 N2 95.4(3) . . ?
O10 Ni9 N2 93.5(3) . . ?
O11 Ni9 N2 174.1(3) . . ?
N1 Ni9 O12 86.3(2) . . ?
O10 Ni9 O12 93.4(2) . . ?
O11 Ni9 O12 96.9(2) . . ?
N2 Ni9 O12 87.9(2) . . ?
N1 Ni9 I5 94.4(2) . . ?
O10 Ni9 I5 86.4(2) . . ?
O11 Ni9 I5 86.2(2) . . ?
N2 Ni9 I5 88.9(2) . . ?
O12 Ni9 I5 176.8(2) . . ?
N3 Ni10 O1 170.4(2) . . ?
N3 Ni10 O15 86.8(3) . . ?
O1 Ni10 O15 83.6(2) . . ?
N3 Ni10 O25 91.4(2) . . ?
O1 Ni10 O25 88.1(2) . . ?
O15 Ni10 O25 94.0(2) . . ?
N3 Ni10 O14 86.9(2) . . ?
O1 Ni10 O14 102.7(2) . . ?
O15 Ni10 O14 170.2(2) . . ?
O25 Ni10 O14 93.6(2) . . ?
N3 Ni10 O16 101.9(2) . . ?
O1 Ni10 O16 79.3(2) . . ?
O15 Ni10 O16 89.8(2) . . ?
O25 Ni10 O16 166.4(2) . . ?
O14 Ni10 O16 84.2(2) . . ?
N3 Ni10 Ni1 128.9(2) . . ?
O1 Ni10 Ni1 41.65(14) . . ?
O15 Ni10 Ni1 44.36(15) . . ?
O25 Ni10 Ni1 80.24(16) . . ?
O14 Ni10 Ni1 143.54(15) . . ?
O16 Ni10 Ni1 93.46(14) . . ?
O20 Ni11 O18 90.5(2) . . ?
O20 Ni11 O9 100.3(2) . . ?
O18 Ni11 O9 93.0(2) . . ?
O20 Ni11 O22 168.8(2) . . ?
O18 Ni11 O22 87.5(2) . . ?
O9 Ni11 O22 90.8(2) . . ?
O20 Ni11 N5 87.3(3) . . ?
O18 Ni11 N5 96.6(3) . . ?
O9 Ni11 N5 167.7(3) . . ?
O22 Ni11 N5 81.9(3) . . ?
O20 Ni11 O17 89.3(2) . . ?
O18 Ni11 O17 169.8(2) . . ?
O9 Ni11 O17 76.9(2) . . ?
O22 Ni11 O17 94.6(2) . . ?
N5 Ni11 O17 93.7(3) . . ?
N6 Ni12 O30 86.5(3) . . ?
N6 Ni12 O4 158.5(3) . . ?
O30 Ni12 O4 81.2(2) . . ?
N6 Ni12 N7 96.9(3) . . ?
O30 Ni12 N7 175.7(3) . . ?
O4 Ni12 N7 96.4(3) . . ?
N6 Ni12 O29 84.5(2) . . ?
O30 Ni12 O29 94.7(2) . . ?
O4 Ni12 O29 79.2(2) . . ?
N7 Ni12 O29 88.2(3) . . ?
N6 Ni12 I6 102.6(2) . . ?
O30 Ni12 I6 89.00(18) . . ?
O4 Ni12 I6 94.68(18) . . ?
N7 Ni12 I6 87.7(2) . . ?
O29 Ni12 I6 172.22(18) . . ?
Ni3 I1 Ni2 78.55(4) . . ?
Ni3 I1 Ni1 81.64(4) . . ?
Ni2 I1 Ni1 78.40(4) . . ?
Ni1 O1 Ni10 96.6(2) . . ?
Ni1 O1 Ni2 112.8(2) . . ?
Ni10 O1 Ni2 104.7(2) . . ?
Ni3 O2 Ni5 113.3(2) . . ?
Ni3 O2 Ni2 107.2(2) . . ?
Ni5 O2 Ni2 120.9(2) . . ?
Ni3 O3 Ni1 103.8(2) . . ?
Ni3 O4 Ni12 101.5(2) . . ?
Ni3 O4 Ni4 97.5(2) . . ?
Ni12 O4 Ni4 99.4(2) . . ?
C1 O5 Ni3 125.9(5) . . ?
C1 O5 Ni4 125.7(5) . . ?
Ni3 O5 Ni4 94.9(2) . . ?
C1 O6 Ni5 137.6(6) . . ?
C88 O7 Ni6 126.5(5) . . ?
C88 O7 Ni5 119.1(5) . . ?
Ni6 O7 Ni5 94.9(2) . . ?
Ni2 O8 Ni7 119.0(2) . . ?
Ni2 O8 Ni6 116.0(2) . . ?
Ni7 O8 Ni6 99.2(2) . . ?
Ni8 O9 Ni7 126.9(3) . . ?
Ni8 O9 Ni11 112.0(3) . . ?
Ni7 O9 Ni11 102.8(2) . . ?
C22 O10 Ni9 128.7(5) . . ?
C22 O10 Ni8 122.0(5) . . ?
Ni9 O10 Ni8 98.8(2) . . ?
C2 O11 Ni9 121.1(6) . . ?
C2 O11 Ni8 131.2(6) . . ?
Ni9 O11 Ni8 99.2(2) . . ?
C7 O12 Ni9 122.4(5) . . ?
C7 O12 Ni7 123.3(5) . . ?
Ni9 O12 Ni7 113.7(2) . . ?
C7 O13 Ni6 133.2(5) . . ?
C22 O14 Ni10 122.2(5) . . ?
C22 O14 Ni7 117.9(5) . . ?
Ni10 O14 Ni7 118.6(2) . . ?
C23 O15 Ni10 119.7(5) . . ?
C23 O15 Ni1 136.7(5) . . ?
Ni10 O15 Ni1 92.9(2) . . ?
C40 O16 Ni2 119.6(5) . . ?
C40 O16 Ni10 133.2(5) . . ?
Ni2 O16 Ni10 95.3(2) . . ?
C40 O17 Ni7 121.2(5) . . ?
C40 O17 Ni11 147.0(5) . . ?
Ni7 O17 Ni11 91.2(2) . . ?
C41 O18 Ni11 124.5(6) . . ?
C41 O19 Ni8 134.9(6) . . ?
C48 O20 Ni11 128.4(6) . . ?
C48 O21 Ni8 128.6(6) . . ?
C55 O22 Ni11 128.6(5) . . ?
C55 O23 Ni6 126.9(5) . . ?
C55 O23 Ni7 133.5(5) . . ?
Ni6 O23 Ni7 97.4(2) . . ?
C60 O24 Ni6 118.0(5) . . ?
C60 O24 Ni5 132.0(5) . . ?
Ni6 O24 Ni5 100.7(2) . . ?
C81 O25 Ni10 124.8(5) . . ?
C81 O26 Ni1 126.5(5) . . ?
C88 O27 Ni2 123.4(5) . . ?
C95 O28 Ni5 127.9(5) . . ?
C95 O29 Ni3 130.6(5) . . ?
C95 O29 Ni12 127.4(5) . . ?
Ni3 O29 Ni12 99.6(2) . . ?
C96 O30 Ni12 122.2(5) . . ?
C96 O30 Ni4 130.7(5) . . ?
Ni12 O30 Ni4 99.2(2) . . ?
C121 O31 Ni4 123.9(5) . . ?
C4 N1 C5 120.3(8) . . ?
C4 N1 Ni9 125.6(7) . . ?
C5 N1 Ni9 114.1(5) . . ?
C20 N2 Ni9 163.2(7) . . ?
C25 N3 C26 120.5(7) . . ?
C25 N3 Ni10 121.6(6) . . ?
C26 N3 Ni10 117.1(5) . . ?
C58 N4 C57 120.1(7) . . ?
C58 N4 Ni6 120.9(5) . . ?
C57 N4 Ni6 118.9(5) . . ?
C73 N5 Ni11 165.5(8) . . ?
C98 N6 C99 118.7(8) . . ?
C98 N6 Ni12 124.4(6) . . ?
C99 N6 Ni12 116.6(5) . . ?
C113 N7 Ni12 168.6(8) . . ?
C115 N8 Ni5 164.7(9) . . ?
C119 N9 C118 118.2(8) . . ?
C119 N9 Ni4 124.2(7) . . ?
C118 N9 Ni4 117.2(6) . . ?
O6 C1 O5 124.7(8) . . ?
O6 C1 C117 117.4(8) . . ?
O5 C1 C117 117.9(7) . . ?
O11 C2 C3 124.2(8) . . ?
O11 C2 C15 115.5(9) . . ?
C3 C2 C15 120.3(9) . . ?
C2 C3 C4 122.3(8) . . ?
C2 C3 C12 118.8(9) . . ?
C4 C3 C12 118.8(9) . . ?
N1 C4 C3 126.6(9) . . ?
N1 C4 H4 116.7 . . ?
C3 C4 H4 116.7 . . ?
C6 C5 N1 119.6(8) . . ?
C6 C5 C11 119.5(9) . . ?
N1 C5 C11 120.8(8) . . ?
C5 C6 C8 120.2(8) . . ?
C5 C6 C7 123.0(8) . . ?
C8 C6 C7 116.8(7) . . ?
O13 C7 O12 125.1(7) . . ?
O13 C7 C6 114.4(7) . . ?
O12 C7 C6 120.5(7) . . ?
C9 C8 C6 119.7(9) . . ?
C9 C8 H8 120.1 . . ?
C6 C8 H8 120.1 . . ?
C8 C9 C10 121.2(9) . . ?
C8 C9 Cl1 119.8(8) . . ?
C10 C9 Cl1 118.9(8) . . ?
C11 C10 C9 119.7(9) . . ?
C11 C10 H10 120.1 . . ?
C9 C10 H10 120.1 . . ?
C10 C11 C5 119.5(9) . . ?
C10 C11 H11 120.2 . . ?
C5 C11 H11 120.2 . . ?
C13 C12 C19 118.7(9) . . ?
C13 C12 C3 119.2(10) . . ?
C19 C12 C3 122.2(10) . . ?
C14 C13 C12 119.7(9) . . ?
C14 C13 C16 121.9(11) . . ?
C12 C13 C16 118.5(11) . . ?
C15 C14 C13 122.8(10) . . ?
C15 C14 H14 118.6 . . ?
C13 C14 H14 118.6 . . ?
C14 C15 C2 119.2(11) . . ?
C14 C15 H15 120.4 . . ?
C2 C15 H15 120.4 . . ?
C17 C16 C13 122.5(13) . . ?
C17 C16 H16 118.8 . . ?
C13 C16 H16 118.8 . . ?
C16 C17 C18 118.8(11) . . ?
C16 C17 H17 120.6 . . ?
C18 C17 H17 120.6 . . ?
C19 C18 C17 121.6(13) . . ?
C19 C18 H18 119.2 . . ?
C17 C18 H18 119.2 . . ?
C18 C19 C12 119.9(12) . . ?
C18 C19 H19 120.0 . . ?
C12 C19 H19 120.0 . . ?
N2 C20 C21 176.7(9) . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
O14 C22 O10 123.1(7) . . ?
O14 C22 C27 122.7(7) . . ?
O10 C22 C27 114.1(7) . . ?
O15 C23 C24 123.6(8) . . ?
O15 C23 C35 119.4(8) . . ?
C24 C23 C35 116.9(8) . . ?
C23 C24 C25 120.3(8) . . ?
C23 C24 C32 120.9(8) . . ?
C25 C24 C32 118.0(8) . . ?
N3 C25 C24 126.1(8) . . ?
N3 C25 H25 117.0 . . ?
C24 C25 H25 117.0 . . ?
C31 C26 N3 121.1(7) . . ?
C31 C26 C27 118.3(7) . . ?
N3 C26 C27 120.0(7) . . ?
C28 C27 C26 118.7(7) . . ?
C28 C27 C22 117.2(7) . . ?
C26 C27 C22 124.1(7) . . ?
C29 C28 C27 121.2(8) . . ?
C29 C28 H28 119.4 . . ?
C27 C28 H28 119.4 . . ?
C30 C29 C28 120.1(8) . . ?
C30 C29 Cl2 120.2(7) . . ?
C28 C29 Cl2 119.7(8) . . ?
C29 C30 C31 120.5(8) . . ?
C29 C30 H30 119.8 . . ?
C31 C30 H30 119.8 . . ?
C30 C31 C26 121.1(8) . . ?
C30 C31 H31 119.4 . . ?
C26 C31 H31 119.4 . . ?
C39 C32 C33 118.0(9) . . ?
C39 C32 C24 123.5(9) . . ?
C33 C32 C24 118.5(8) . . ?
C32 C33 C34 119.6(8) . . ?
C32 C33 C36 119.3(10) . . ?
C34 C33 C36 121.1(10) . . ?
C35 C34 C33 121.6(9) . . ?
C35 C34 H34 119.2 . . ?
C33 C34 H34 119.2 . . ?
C34 C35 C23 122.3(9) . . ?
C34 C35 H35 118.8 . . ?
C23 C35 H35 118.8 . . ?
C37 C36 C33 120.7(11) . . ?
C37 C36 H36 119.6 . . ?
C33 C36 H36 119.6 . . ?
C36 C37 C38 119.9(9) . . ?
C36 C37 H37 120.0 . . ?
C38 C37 H37 120.0 . . ?
C39 C38 C37 120.4(10) . . ?
C39 C38 H38 119.8 . . ?
C37 C38 H38 119.8 . . ?
C38 C39 C32 121.6(10) . . ?
C38 C39 H39 119.2 . . ?
C32 C39 H39 119.2 . . ?
O17 C40 O16 122.5(7) . . ?
O17 C40 C75 123.1(7) . . ?
O16 C40 C75 114.4(7) . . ?
O18 C41 O19 126.9(8) . . ?
O18 C41 C42 115.6(9) . . ?
O19 C41 C42 117.5(9) . . ?
C47 C42 C43 121.7(12) . . ?
C47 C42 C41 119.4(11) . . ?
C43 C42 C41 118.8(10) . . ?
C42 C43 C44 120.1(15) . . ?
C42 C43 H43 119.9 . . ?
C44 C43 H43 119.9 . . ?
C43 C44 C45 117(2) . . ?
C43 C44 H44 121.7 . . ?
C45 C44 H44 121.7 . . ?
C46 C45 C44 122(2) . . ?
C46 C45 H45 119.0 . . ?
C44 C45 H45 119.0 . . ?
C47 C46 C45 119(2) . . ?
C47 C46 H46 120.7 . . ?
C45 C46 H46 120.7 . . ?
C46 C47 C42 120.5(16) . . ?
C46 C47 H47 119.8 . . ?
C42 C47 H47 119.8 . . ?
O21 C48 O20 128.2(9) . . ?
O21 C48 C49 118.9(8) . . ?
O20 C48 C49 112.9(9) . . ?
C54 C49 C50 119.3(10) . . ?
C54 C49 C48 118.1(10) . . ?
C50 C49 C48 122.7(9) . . ?
C51 C50 C49 119.6(11) . . ?
C51 C50 H50 120.2 . . ?
C49 C50 H50 120.2 . . ?
C52 C51 C50 120.0(12) . . ?
C52 C51 H51 120.0 . . ?
C50 C51 H51 120.0 . . ?
C51 C52 C53 121.7(11) . . ?
C51 C52 H52 119.2 . . ?
C53 C52 H52 119.2 . . ?
C52 C53 C54 119.7(11) . . ?
C52 C53 H53 120.1 . . ?
C54 C53 H53 120.1 . . ?
C49 C54 C53 119.7(11) . . ?
C49 C54 H54 120.1 . . ?
C53 C54 H54 120.1 . . ?
O22 C55 O23 122.8(7) . . ?
O22 C55 C56 116.5(7) . . ?
O23 C55 C56 120.7(6) . . ?
C72 C56 C57 119.4(7) . . ?
C72 C56 C55 114.2(7) . . ?
C57 C56 C55 126.4(7) . . ?
C69 C57 C56 118.2(7) . . ?
C69 C57 N4 120.4(7) . . ?
C56 C57 N4 121.2(6) . . ?
N4 C58 C59 125.6(8) . . ?
N4 C58 H58 117.2 . . ?
C59 C58 H58 117.2 . . ?
C60 C59 C64 119.6(8) . . ?
C60 C59 C58 120.8(7) . . ?
C64 C59 C58 119.5(8) . . ?
O24 C60 C59 124.4(7) . . ?
O24 C60 C61 116.9(8) . . ?
C59 C60 C61 118.7(8) . . ?
C62 C61 C60 120.4(9) . . ?
C62 C61 H61 119.8 . . ?
C60 C61 H61 119.8 . . ?
C61 C62 C63 122.6(9) . . ?
C61 C62 H62 118.7 . . ?
C63 C62 H62 118.7 . . ?
C62 C63 C68 120.5(9) . . ?
C62 C63 C64 119.3(8) . . ?
C68 C63 C64 120.2(10) . . ?
C65 C64 C63 116.9(8) . . ?
C65 C64 C59 123.9(8) . . ?
C63 C64 C59 119.2(8) . . ?
C66 C65 C64 120.9(10) . . ?
C66 C65 H65 119.5 . . ?
C64 C65 H65 119.5 . . ?
C65 C66 C67 121.5(11) . . ?
C65 C66 H66 119.2 . . ?
C67 C66 H66 119.2 . . ?
C68 C67 C66 118.0(11) . . ?
C68 C67 H67 121.0 . . ?
C66 C67 H67 121.0 . . ?
C67 C68 C63 122.3(11) . . ?
C67 C68 H68 118.8 . . ?
C63 C68 H68 118.8 . . ?
C70 C69 C57 121.8(8) . . ?
C70 C69 H69 119.1 . . ?
C57 C69 H69 119.1 . . ?
C71 C70 C69 118.9(7) . . ?
C71 C70 H70 120.6 . . ?
C69 C70 H70 120.6 . . ?
C70 C71 C72 121.3(7) . . ?
C70 C71 Cl3 121.6(6) . . ?
C72 C71 Cl3 117.0(6) . . ?
C71 C72 C56 120.4(8) . . ?
C71 C72 H72 119.8 . . ?
C56 C72 H72 119.8 . . ?
N5 C73 C74 177.2(14) . . ?
C73 C74 H74A 109.5 . . ?
C73 C74 H74B 109.5 . . ?
H74A C74 H74B 109.5 . . ?
C73 C74 H74C 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
C80 C75 C76 119.5(8) . . ?
C80 C75 C40 121.8(8) . . ?
C76 C75 C40 118.7(7) . . ?
C75 C76 C77 119.7(8) . . ?
C75 C76 H76 120.1 . . ?
C77 C76 H76 120.1 . . ?
C78 C77 C76 120.2(9) . . ?
C78 C77 H77 119.9 . . ?
C76 C77 H77 119.9 . . ?
C79 C78 C77 119.8(9) . . ?
C79 C78 H78 120.1 . . ?
C77 C78 H78 120.1 . . ?
C78 C79 C80 121.1(10) . . ?
C78 C79 H79 119.4 . . ?
C80 C79 H79 119.4 . . ?
C75 C80 C79 119.5(9) . . ?
C75 C80 H80 120.3 . . ?
C79 C80 H80 120.3 . . ?
O25 C81 O26 127.2(7) . . ?
O25 C81 C82 115.6(7) . . ?
O26 C81 C82 117.2(7) . . ?
C87 C82 C83 119.2(8) . . ?
C87 C82 C81 120.7(8) . . ?
C83 C82 C81 120.0(8) . . ?
C84 C83 C82 119.7(10) . . ?
C84 C83 H83 120.2 . . ?
C82 C83 H83 120.2 . . ?
C85 C84 C83 120.6(11) . . ?
C85 C84 H84 119.7 . . ?
C83 C84 H84 119.7 . . ?
C84 C85 C86 120.6(11) . . ?
C84 C85 H85 119.7 . . ?
C86 C85 H85 119.7 . . ?
C85 C86 C87 120.3(12) . . ?
C85 C86 H86 119.9 . . ?
C87 C86 H86 119.9 . . ?
C82 C87 C86 119.5(11) . . ?
C82 C87 H87 120.3 . . ?
C86 C87 H87 120.3 . . ?
O27 C88 O7 123.8(7) . . ?
O27 C88 C89 117.9(7) . . ?
O7 C88 C89 118.3(7) . . ?
C94 C89 C90 119.9(8) . . ?
C94 C89 C88 121.8(7) . . ?
C90 C89 C88 118.3(7) . . ?
C89 C90 C91 119.4(9) . . ?
C89 C90 H90 120.3 . . ?
C91 C90 H90 120.3 . . ?
C92 C91 C90 120.3(9) . . ?
C92 C91 H91 119.9 . . ?
C90 C91 H91 119.9 . . ?
C91 C92 C93 119.5(9) . . ?
C91 C92 H92 120.2 . . ?
C93 C92 H92 120.2 . . ?
C94 C93 C92 120.9(9) . . ?
C94 C93 H93 119.6 . . ?
C92 C93 H93 119.6 . . ?
C89 C94 C93 120.0(9) . . ?
C89 C94 H94 120.0 . . ?
C93 C94 H94 120.0 . . ?
O28 C95 O29 123.3(7) . . ?
O28 C95 C100 116.3(7) . . ?
O29 C95 C100 120.4(8) . . ?
O30 C96 C97 121.9(8) . . ?
O30 C96 C108 118.2(8) . . ?
C97 C96 C108 119.8(8) . . ?
C96 C97 C98 121.9(7) . . ?
C96 C97 C105 118.1(8) . . ?
C98 C97 C105 119.8(8) . . ?
N6 C98 C97 125.6(8) . . ?
N6 C98 H98 117.2 . . ?
C97 C98 H98 117.2 . . ?
C104 C99 N6 121.9(8) . . ?
C104 C99 C100 118.2(9) . . ?
N6 C99 C100 119.8(8) . . ?
C101 C100 C99 119.6(8) . . ?
C101 C100 C95 118.1(7) . . ?
C99 C100 C95 122.2(8) . . ?
C102 C101 C100 119.0(8) . . ?
C102 C101 H101 120.5 . . ?
C100 C101 H101 120.5 . . ?
C103 C102 C101 122.0(8) . . ?
C103 C102 Cl4 120.5(7) . . ?
C101 C102 Cl4 117.3(7) . . ?
C104 C103 C102 118.7(8) . . ?
C104 C103 H103 120.6 . . ?
C102 C103 H103 120.6 . . ?
C103 C104 C99 122.5(9) . . ?
C103 C104 H104 118.8 . . ?
C99 C104 H104 118.8 . . ?
C112 C105 C106 118.5(8) . . ?
C112 C105 C97 122.4(9) . . ?
C106 C105 C97 119.1(8) . . ?
C107 C106 C105 120.2(8) . . ?
C107 C106 C109 120.0(9) . . ?
C105 C106 C109 119.7(9) . . ?
C108 C107 C106 120.2(8) . . ?
C108 C107 H107 119.9 . . ?
C106 C107 H107 119.9 . . ?
C107 C108 C96 122.5(9) . . ?
C107 C108 H108 118.7 . . ?
C96 C108 H108 118.7 . . ?
C110 C109 C106 119.9(9) . . ?
C110 C109 H109 120.1 . . ?
C106 C109 H109 120.1 . . ?
C111 C110 C109 119.8(9) . . ?
C111 C110 H110 120.1 . . ?
C109 C110 H110 120.1 . . ?
C110 C111 C112 121.9(9) . . ?
C110 C111 H111 119.0 . . ?
C112 C111 H111 119.0 . . ?
C111 C112 C105 120.2(10) . . ?
C111 C112 H112 119.9 . . ?
C105 C112 H112 119.9 . . ?
N7 C113 C114 177.3(13) . . ?
C113 C114 H11D 109.5 . . ?
C113 C114 H11E 109.5 . . ?
H11D C114 H11E 109.5 . . ?
C113 C114 H11F 109.5 . . ?
H11D C114 H11F 109.5 . . ?
H11E C114 H11F 109.5 . . ?
N8 C115 C116 172.5(15) . . ?
C115 C116 H11A 109.5 . . ?
C115 C116 H11B 109.5 . . ?
H11A C116 H11B 109.5 . . ?
C115 C116 H11C 109.5 . . ?
H11A C116 H11C 109.5 . . ?
H11B C116 H11C 109.5 . . ?
C133 C117 C118 119.3(8) . . ?
C133 C117 C1 116.0(8) . . ?
C118 C117 C1 124.8(8) . . ?
C117 C118 C130 119.7(9) . . ?
C117 C118 N9 120.8(8) . . ?
C130 C118 N9 119.4(9) . . ?
N9 C119 C120 126.0(9) . . ?
N9 C119 H119 117.0 . . ?
C120 C119 H119 117.0 . . ?
C121 C120 C125 120.9(9) . . ?
C121 C120 C119 120.4(8) . . ?
C125 C120 C119 118.5(9) . . ?
O31 C121 C120 125.2(8) . . ?
O31 C121 C122 117.9(8) . . ?
C120 C121 C122 116.8(9) . . ?
C123 C122 C121 122.2(10) . . ?
C123 C122 H122 118.9 . . ?
C121 C122 H122 118.9 . . ?
C122 C123 C124 121.9(11) . . ?
C122 C123 H123 119.1 . . ?
C124 C123 H123 119.1 . . ?
C129 C124 C123 121.3(12) . . ?
C129 C124 C125 120.7(12) . . ?
C123 C124 C125 117.9(9) . . ?
C126 C125 C124 117.2(10) . . ?
C126 C125 C120 122.9(11) . . ?
C124 C125 C120 119.9(10) . . ?
C127 C126 C125 121.2(13) . . ?
C127 C126 H126 119.4 . . ?
C125 C126 H126 119.4 . . ?
C128 C127 C126 119.7(13) . . ?
C128 C127 H127 120.2 . . ?
C126 C127 H127 120.2 . . ?
C129 C128 C127 120.7(11) . . ?
C129 C128 H128 119.6 . . ?
C127 C128 H128 119.6 . . ?
C128 C129 C124 120.4(13) . . ?
C128 C129 H129 119.8 . . ?
C124 C129 H129 119.8 . . ?
C131 C130 C118 120.4(9) . . ?
C131 C130 H130 119.8 . . ?
C118 C130 H130 119.8 . . ?
C132 C131 C130 119.6(9) . . ?
C132 C131 H131 120.2 . . ?
C130 C131 H131 120.2 . . ?
C131 C132 C133 121.4(9) . . ?
C131 C132 Cl5 120.3(8) . . ?
C133 C132 Cl5 118.3(8) . . ?
C117 C133 C132 119.5(9) . . ?
C117 C133 H133 120.2 . . ?
C132 C133 H133 120.2 . . ?
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
Ni1 O1 1.994(5) . ?
Ni1 O26 2.020(6) . ?
Ni1 O15 2.087(5) . ?
Ni1 O3 2.151(6) . ?
Ni1 I2 2.484(2) . ?
Ni1 I1 2.6433(14) . ?
Ni1 Ni10 2.9813(14) . ?
Ni2 O1 2.005(5) . ?
Ni2 O8 2.007(5) . ?
Ni2 O27 2.014(5) . ?
Ni2 O2 2.057(5) . ?
Ni2 O16 2.134(5) . ?
Ni2 I1 2.6276(14) . ?
Ni3 O2 2.001(5) . ?
Ni3 O4 2.040(6) . ?
Ni3 O5 2.061(5) . ?
Ni3 O29 2.063(5) . ?
Ni3 O3 2.150(5) . ?
Ni3 I1 2.5315(14) . ?
Ni4 O31 1.996(6) . ?
Ni4 N9 2.016(7) . ?
Ni4 O4 2.049(5) . ?
Ni4 O30 2.069(6) . ?
Ni4 O5 2.113(5) . ?
Ni4 I3 2.498(5) . ?
Ni5 O2 2.011(5) . ?
Ni5 O24 2.063(5) . ?
Ni5 O28 2.064(6) . ?
Ni5 O6 2.066(5) . ?
Ni5 N8 2.093(7) . ?
Ni5 O7 2.126(5) . ?
Ni6 O24 1.997(5) . ?
Ni6 O23 2.002(5) . ?
Ni6 N4 2.013(6) . ?
Ni6 O8 2.044(5) . ?
Ni6 O13 2.052(5) . ?
Ni6 O7 2.120(5) . ?
Ni7 O8 2.017(5) . ?
Ni7 O9 2.017(5) . ?
Ni7 O23 2.114(5) . ?
Ni7 O17 2.128(5) . ?
Ni7 O12 2.137(5) . ?
Ni7 O14 2.176(5) . ?
Ni8 O21 2.005(6) . ?
Ni8 O9 2.006(5) . ?
Ni8 O19 2.031(6) . ?
Ni8 O11 2.113(6) . ?
Ni8 O10 2.138(6) . ?
Ni8 I4 2.479(5) . ?
Ni9 N1 1.988(7) . ?
Ni9 O10 2.025(6) . ?
Ni9 O11 2.039(6) . ?
Ni9 N2 2.092(8) . ?
Ni9 O12 2.117(5) . ?
Ni9 I5 2.367(9) . ?
Ni10 N3 1.994(6) . ?
Ni10 O1 2.000(5) . ?
Ni10 O15 2.026(5) . ?
Ni10 O25 2.039(6) . ?
Ni10 O14 2.126(5) . ?
Ni10 O16 2.158(5) . ?
Ni11 O20 2.015(6) . ?
Ni11 O18 2.016(6) . ?
Ni11 O9 2.019(6) . ?
Ni11 O22 2.050(6) . ?
Ni11 N5 2.115(9) . ?
Ni11 O17 2.283(5) . ?
Ni12 N6 2.024(7) . ?
Ni12 O30 2.030(6) . ?
Ni12 O4 2.045(6) . ?
Ni12 N7 2.076(8) . ?
Ni12 O29 2.081(5) . ?
Ni12 I6 2.482(4) . ?
Cl1 C9 1.760(11) . ?
Cl2 C29 1.731(9) . ?
Cl3 C71 1.756(8) . ?
Cl4 C102 1.759(9) . ?
Cl5 C132 1.744(10) . ?
O5 C1 1.291(10) . ?
O6 C1 1.230(10) . ?
O7 C88 1.278(9) . ?
O10 C22 1.281(9) . ?
O11 C2 1.343(11) . ?
O12 C7 1.272(10) . ?
O13 C7 1.254(10) . ?
O14 C22 1.250(9) . ?
O15 C23 1.303(10) . ?
O16 C40 1.271(9) . ?
O17 C40 1.252(10) . ?
O18 C41 1.249(11) . ?
O19 C41 1.273(12) . ?
O20 C48 1.278(11) . ?
O21 C48 1.175(11) . ?
O22 C55 1.251(9) . ?
O23 C55 1.262(9) . ?
O24 C60 1.324(10) . ?
O25 C81 1.266(10) . ?
O26 C81 1.266(10) . ?
O27 C88 1.253(9) . ?
O28 C95 1.257(10) . ?
O29 C95 1.264(10) . ?
O30 C96 1.325(10) . ?
O31 C121 1.290(11) . ?
N1 C4 1.279(11) . ?
N1 C5 1.415(11) . ?
N2 C20 1.135(11) . ?
N3 C25 1.293(11) . ?
N3 C26 1.402(10) . ?
N4 C58 1.294(10) . ?
N4 C57 1.422(10) . ?
N5 C73 1.137(13) . ?
N6 C98 1.301(11) . ?
N6 C99 1.419(12) . ?
N7 C113 1.120(13) . ?
N8 C115 1.143(12) . ?
N9 C119 1.285(11) . ?
N9 C118 1.442(12) . ?
C1 C117 1.512(12) . ?
C2 C3 1.401(13) . ?
C2 C15 1.441(14) . ?
C3 C4 1.429(13) . ?
C3 C12 1.462(13) . ?
C4 H4 0.9500 . ?
C5 C6 1.378(12) . ?
C5 C11 1.415(13) . ?
C6 C8 1.393(12) . ?
C6 C7 1.533(11) . ?
C8 C9 1.363(13) . ?
C8 H8 0.9500 . ?
C9 C10 1.388(15) . ?
C10 C11 1.376(15) . ?
C10 H10 0.9500 . ?
C11 H11 0.9500 . ?
C12 C13 1.409(15) . ?
C12 C19 1.413(15) . ?
C13 C14 1.396(16) . ?
C13 C16 1.429(15) . ?
C14 C15 1.364(14) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C16 C17 1.335(19) . ?
C16 H16 0.9500 . ?
C17 C18 1.403(19) . ?
C17 H17 0.9500 . ?
C18 C19 1.379(15) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C20 C21 1.470(14) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C27 1.494(11) . ?
C23 C24 1.397(12) . ?
C23 C35 1.458(12) . ?
C24 C25 1.440(12) . ?
C24 C32 1.472(12) . ?
C25 H25 0.9500 . ?
C26 C31 1.395(11) . ?
C26 C27 1.427(12) . ?
C27 C28 1.394(12) . ?
C28 C29 1.383(12) . ?
C28 H28 0.9500 . ?
C29 C30 1.363(14) . ?
C30 C31 1.385(13) . ?
C30 H30 0.9500 . ?
C31 H31 0.9500 . ?
C32 C39 1.396(13) . ?
C32 C33 1.409(13) . ?
C33 C34 1.415(14) . ?
C33 C36 1.417(14) . ?
C34 C35 1.345(13) . ?
C34 H34 0.9500 . ?
C35 H35 0.9500 . ?
C36 C37 1.368(16) . ?
C36 H36 0.9500 . ?
C37 C38 1.379(16) . ?
C37 H37 0.9500 . ?
C38 C39 1.378(14) . ?
C38 H38 0.9500 . ?
C39 H39 0.9500 . ?
C40 C75 1.507(11) . ?
C41 C42 1.504(14) . ?
C42 C47 1.383(18) . ?
C42 C43 1.396(18) . ?
C43 C44 1.40(2) . ?
C43 H43 0.9500 . ?
C44 C45 1.44(3) . ?
C44 H44 0.9500 . ?
C45 C46 1.40(3) . ?
C45 H45 0.9500 . ?
C46 C47 1.37(2) . ?
C46 H46 0.9500 . ?
C47 H47 0.9500 . ?
C48 C49 1.540(13) . ?
C49 C54 1.393(14) . ?
C49 C50 1.409(15) . ?
C50 C51 1.382(14) . ?
C50 H50 0.9500 . ?
C51 C52 1.364(17) . ?
C51 H51 0.9500 . ?
C52 C53 1.365(18) . ?
C52 H52 0.9500 . ?
C53 C54 1.394(15) . ?
C53 H53 0.9500 . ?
C54 H54 0.9500 . ?
C55 C56 1.501(11) . ?
C56 C72 1.391(11) . ?
C56 C57 1.418(11) . ?
C57 C69 1.399(11) . ?
C58 C59 1.455(12) . ?
C58 H58 0.9500 . ?
C59 C60 1.409(12) . ?
C59 C64 1.440(12) . ?
C60 C61 1.451(12) . ?
C61 C62 1.342(13) . ?
C61 H61 0.9500 . ?
C62 C63 1.393(14) . ?
C62 H62 0.9500 . ?
C63 C68 1.402(14) . ?
C63 C64 1.425(13) . ?
C64 C65 1.413(13) . ?
C65 C66 1.379(14) . ?
C65 H65 0.9500 . ?
C66 C67 1.412(17) . ?
C66 H66 0.9500 . ?
C67 C68 1.353(18) . ?
C67 H67 0.9500 . ?
C68 H68 0.9500 . ?
C69 C70 1.390(12) . ?
C69 H69 0.9500 . ?
C70 C71 1.370(12) . ?
C70 H70 0.9500 . ?
C71 C72 1.385(11) . ?
C72 H72 0.9500 . ?
C73 C74 1.449(17) . ?
C74 H74A 0.9800 . ?
C74 H74B 0.9800 . ?
C74 H74C 0.9800 . ?
C75 C80 1.381(12) . ?
C75 C76 1.387(12) . ?
C76 C77 1.397(13) . ?
C76 H76 0.9500 . ?
C77 C78 1.371(14) . ?
C77 H77 0.9500 . ?
C78 C79 1.360(15) . ?
C78 H78 0.9500 . ?
C79 C80 1.394(14) . ?
C79 H79 0.9500 . ?
C80 H80 0.9500 . ?
C81 C82 1.503(11) . ?
C82 C87 1.386(13) . ?
C82 C83 1.404(13) . ?
C83 C84 1.396(14) . ?
C83 H83 0.9500 . ?
C84 C85 1.352(18) . ?
C84 H84 0.9500 . ?
C85 C86 1.374(18) . ?
C85 H85 0.9500 . ?
C86 C87 1.405(14) . ?
C86 H86 0.9500 . ?
C87 H87 0.9500 . ?
C88 C89 1.507(11) . ?
C89 C94 1.371(12) . ?
C89 C90 1.395(12) . ?
C90 C91 1.399(13) . ?
C90 H90 0.9500 . ?
C91 C92 1.367(14) . ?
C91 H91 0.9500 . ?
C92 C93 1.385(15) . ?
C92 H92 0.9500 . ?
C93 C94 1.377(13) . ?
C93 H93 0.9500 . ?
C94 H94 0.9500 . ?
C95 C100 1.503(11) . ?
C96 C97 1.408(12) . ?
C96 C108 1.409(12) . ?
C97 C98 1.440(12) . ?
C97 C105 1.476(12) . ?
C98 H98 0.9500 . ?
C99 C104 1.396(13) . ?
C99 C100 1.419(12) . ?
C100 C101 1.397(12) . ?
C101 C102 1.394(12) . ?
C101 H101 0.9500 . ?
C102 C103 1.374(13) . ?
C103 C104 1.363(13) . ?
C103 H103 0.9500 . ?
C104 H104 0.9500 . ?
C105 C112 1.404(13) . ?
C105 C106 1.416(13) . ?
C106 C107 1.407(13) . ?
C106 C109 1.422(13) . ?
C107 C108 1.361(12) . ?
C107 H107 0.9500 . ?
C108 H108 0.9500 . ?
C109 C110 1.380(14) . ?
C109 H109 0.9500 . ?
C110 C111 1.375(14) . ?
C110 H110 0.9500 . ?
C111 C112 1.379(13) . ?
C111 H111 0.9500 . ?
C112 H112 0.9500 . ?
C113 C114 1.482(18) . ?
C114 H11D 0.9800 . ?
C114 H11E 0.9800 . ?
C114 H11F 0.9800 . ?
C115 C116 1.433(15) . ?
C116 H11A 0.9800 . ?
C116 H11B 0.9800 . ?
C116 H11C 0.9800 . ?
C117 C133 1.381(13) . ?
C117 C118 1.401(13) . ?
C118 C130 1.407(13) . ?
C119 C120 1.444(14) . ?
C119 H119 0.9500 . ?
C120 C121 1.403(13) . ?
C120 C125 1.441(13) . ?
C121 C122 1.434(14) . ?
C122 C123 1.358(15) . ?
C122 H122 0.9500 . ?
C123 C124 1.412(17) . ?
C123 H123 0.9500 . ?
C124 C129 1.387(15) . ?
C124 C125 1.418(16) . ?
C125 C126 1.410(16) . ?
C126 C127 1.391(16) . ?
C126 H126 0.9500 . ?
C127 C128 1.38(2) . ?
C127 H127 0.9500 . ?
C128 C129 1.371(19) . ?
C128 H128 0.9500 . ?
C129 H129 0.9500 . ?
C130 C131 1.376(15) . ?
C130 H130 0.9500 . ?
C131 C132 1.361(15) . ?
C131 H131 0.9500 . ?
C132 C133 1.410(13) . ?
C133 H133 0.9500 . ?
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
Ni5 O6 C1 O5 2.5(14) . . . . ?
Ni5 O6 C1 C117 -176.7(6) . . . . ?
Ni3 O5 C1 O6 -23.5(12) . . . . ?
Ni4 O5 C1 O6 -154.0(6) . . . . ?
Ni3 O5 C1 C117 155.7(6) . . . . ?
Ni4 O5 C1 C117 25.2(10) . . . . ?
Ni9 O11 C2 C3 -30.5(11) . . . . ?
Ni8 O11 C2 C3 -171.5(6) . . . . ?
Ni9 O11 C2 C15 150.4(6) . . . . ?
Ni8 O11 C2 C15 9.4(11) . . . . ?
O11 C2 C3 C4 -0.2(13) . . . . ?
C15 C2 C3 C4 178.8(8) . . . . ?
O11 C2 C3 C12 -176.1(8) . . . . ?
C15 C2 C3 C12 3.0(12) . . . . ?
C5 N1 C4 C3 -174.6(8) . . . . ?
Ni9 N1 C4 C3 3.6(12) . . . . ?
C2 C3 C4 N1 15.9(14) . . . . ?
C12 C3 C4 N1 -168.2(8) . . . . ?
C4 N1 C5 C6 127.6(9) . . . . ?
Ni9 N1 C5 C6 -50.8(9) . . . . ?
C4 N1 C5 C11 -55.5(11) . . . . ?
Ni9 N1 C5 C11 126.0(7) . . . . ?
N1 C5 C6 C8 178.1(8) . . . . ?
C11 C5 C6 C8 1.2(12) . . . . ?
N1 C5 C6 C7 -2.7(12) . . . . ?
C11 C5 C6 C7 -179.6(8) . . . . ?
Ni6 O13 C7 O12 17.5(12) . . . . ?
Ni6 O13 C7 C6 -161.2(5) . . . . ?
Ni9 O12 C7 O13 171.4(6) . . . . ?
Ni7 O12 C7 O13 -17.9(11) . . . . ?
Ni9 O12 C7 C6 -10.0(10) . . . . ?
Ni7 O12 C7 C6 160.7(5) . . . . ?
C5 C6 C7 O13 -144.6(8) . . . . ?
C8 C6 C7 O13 34.6(10) . . . . ?
C5 C6 C7 O12 36.7(12) . . . . ?
C8 C6 C7 O12 -144.1(8) . . . . ?
C5 C6 C8 C9 -3.0(13) . . . . ?
C7 C6 C8 C9 177.8(8) . . . . ?
C6 C8 C9 C10 2.5(15) . . . . ?
C6 C8 C9 Cl1 -175.1(7) . . . . ?
C8 C9 C10 C11 -0.4(16) . . . . ?
Cl1 C9 C10 C11 177.2(8) . . . . ?
C9 C10 C11 C5 -1.3(15) . . . . ?
C6 C5 C11 C10 0.9(13) . . . . ?
N1 C5 C11 C10 -176.0(8) . . . . ?
C2 C3 C12 C13 -2.7(12) . . . . ?
C4 C3 C12 C13 -178.7(8) . . . . ?
C2 C3 C12 C19 177.7(8) . . . . ?
C4 C3 C12 C19 1.7(13) . . . . ?
C19 C12 C13 C14 -179.7(9) . . . . ?
C3 C12 C13 C14 0.7(13) . . . . ?
C19 C12 C13 C16 0.4(14) . . . . ?
C3 C12 C13 C16 -179.1(9) . . . . ?
C12 C13 C14 C15 1.0(15) . . . . ?
C16 C13 C14 C15 -179.1(10) . . . . ?
C13 C14 C15 C2 -0.8(15) . . . . ?
O11 C2 C15 C14 177.9(8) . . . . ?
C3 C2 C15 C14 -1.2(14) . . . . ?
C14 C13 C16 C17 178.5(11) . . . . ?
C12 C13 C16 C17 -1.6(17) . . . . ?
C13 C16 C17 C18 0.3(18) . . . . ?
C16 C17 C18 C19 2.2(17) . . . . ?
C17 C18 C19 C12 -3.3(16) . . . . ?
C13 C12 C19 C18 2.0(14) . . . . ?
C3 C12 C19 C18 -178.5(9) . . . . ?
Ni10 O14 C22 O10 -174.7(5) . . . . ?
Ni7 O14 C22 O10 18.7(10) . . . . ?
Ni10 O14 C22 C27 2.2(10) . . . . ?
Ni7 O14 C22 C27 -164.4(5) . . . . ?
Ni9 O10 C22 O14 54.7(10) . . . . ?
Ni8 O10 C22 O14 -82.3(9) . . . . ?
Ni9 O10 C22 C27 -122.4(6) . . . . ?
Ni8 O10 C22 C27 100.5(7) . . . . ?
Ni10 O15 C23 C24 31.6(10) . . . . ?
Ni1 O15 C23 C24 165.1(6) . . . . ?
Ni10 O15 C23 C35 -152.6(6) . . . . ?
Ni1 O15 C23 C35 -19.1(12) . . . . ?
O15 C23 C24 C25 11.6(12) . . . . ?
C35 C23 C24 C25 -164.3(8) . . . . ?
O15 C23 C24 C32 -178.6(7) . . . . ?
C35 C23 C24 C32 5.5(11) . . . . ?
C26 N3 C25 C24 162.9(8) . . . . ?
Ni10 N3 C25 C24 -6.1(12) . . . . ?
C23 C24 C25 N3 -26.6(13) . . . . ?
C32 C24 C25 N3 163.2(8) . . . . ?
C25 N3 C26 C31 -37.6(12) . . . . ?
Ni10 N3 C26 C31 131.9(7) . . . . ?
C25 N3 C26 C27 150.6(8) . . . . ?
Ni10 N3 C26 C27 -39.8(9) . . . . ?
C31 C26 C27 C28 2.0(12) . . . . ?
N3 C26 C27 C28 174.0(8) . . . . ?
C31 C26 C27 C22 179.3(8) . . . . ?
N3 C26 C27 C22 -8.8(12) . . . . ?
O14 C22 C27 C28 -153.1(8) . . . . ?
O10 C22 C27 C28 24.1(10) . . . . ?
O14 C22 C27 C26 29.7(12) . . . . ?
O10 C22 C27 C26 -153.1(8) . . . . ?
C26 C27 C28 C29 -3.6(14) . . . . ?
C22 C27 C28 C29 179.0(9) . . . . ?
C27 C28 C29 C30 3.9(16) . . . . ?
C27 C28 C29 Cl2 -177.1(7) . . . . ?
C28 C29 C30 C31 -2.6(16) . . . . ?
Cl2 C29 C30 C31 178.4(8) . . . . ?
C29 C30 C31 C26 1.1(15) . . . . ?
N3 C26 C31 C30 -172.7(8) . . . . ?
C27 C26 C31 C30 -0.8(13) . . . . ?
C23 C24 C32 C39 172.6(8) . . . . ?
C25 C24 C32 C39 -17.3(12) . . . . ?
C23 C24 C32 C33 -5.1(12) . . . . ?
C25 C24 C32 C33 164.9(8) . . . . ?
C39 C32 C33 C34 -176.1(8) . . . . ?
C24 C32 C33 C34 1.7(13) . . . . ?
C39 C32 C33 C36 4.3(13) . . . . ?
C24 C32 C33 C36 -177.8(8) . . . . ?
C32 C33 C34 C35 0.9(14) . . . . ?
C36 C33 C34 C35 -179.5(9) . . . . ?
C33 C34 C35 C23 -0.4(14) . . . . ?
O15 C23 C35 C34 -178.9(8) . . . . ?
C24 C23 C35 C34 -2.9(13) . . . . ?
C32 C33 C36 C37 -2.2(15) . . . . ?
C34 C33 C36 C37 178.3(10) . . . . ?
C33 C36 C37 C38 -0.4(16) . . . . ?
C36 C37 C38 C39 0.6(16) . . . . ?
C37 C38 C39 C32 1.7(15) . . . . ?
C33 C32 C39 C38 -4.1(14) . . . . ?
C24 C32 C39 C38 178.1(9) . . . . ?
Ni7 O17 C40 O16 -2.6(10) . . . . ?
Ni11 O17 C40 O16 164.7(6) . . . . ?
Ni7 O17 C40 C75 177.2(5) . . . . ?
Ni11 O17 C40 C75 -15.5(14) . . . . ?
Ni2 O16 C40 O17 67.8(9) . . . . ?
Ni10 O16 C40 O17 -64.9(10) . . . . ?
Ni2 O16 C40 C75 -111.9(6) . . . . ?
Ni10 O16 C40 C75 115.4(7) . . . . ?
Ni11 O18 C41 O19 -19.2(14) . . . . ?
Ni11 O18 C41 C42 158.5(8) . . . . ?
Ni8 O19 C41 O18 -12.0(16) . . . . ?
Ni8 O19 C41 C42 170.3(8) . . . . ?
O18 C41 C42 C47 -170.7(15) . . . . ?
O19 C41 C42 C47 7(2) . . . . ?
O18 C41 C42 C43 12(2) . . . . ?
O19 C41 C42 C43 -169.8(14) . . . . ?
C47 C42 C43 C44 -1(3) . . . . ?
C41 C42 C43 C44 175.6(18) . . . . ?
C42 C43 C44 C45 0(3) . . . . ?
C43 C44 C45 C46 6(4) . . . . ?
C44 C45 C46 C47 -9(4) . . . . ?
C45 C46 C47 C42 7(4) . . . . ?
C43 C42 C47 C46 -2(3) . . . . ?
C41 C42 C47 C46 -179.2(19) . . . . ?
Ni8 O21 C48 O20 -16.4(14) . . . . ?
Ni8 O21 C48 C49 160.3(6) . . . . ?
Ni11 O20 C48 O21 -22.8(13) . . . . ?
Ni11 O20 C48 C49 160.3(6) . . . . ?
O21 C48 C49 C54 10.6(13) . . . . ?
O20 C48 C49 C54 -172.2(8) . . . . ?
O21 C48 C49 C50 -169.8(9) . . . . ?
O20 C48 C49 C50 7.4(13) . . . . ?
C54 C49 C50 C51 0.0(16) . . . . ?
C48 C49 C50 C51 -179.6(10) . . . . ?
C49 C50 C51 C52 0.2(19) . . . . ?
C50 C51 C52 C53 0(2) . . . . ?
C51 C52 C53 C54 -1(2) . . . . ?
C50 C49 C54 C53 -0.7(16) . . . . ?
C48 C49 C54 C53 178.9(10) . . . . ?
C52 C53 C54 C49 1.3(18) . . . . ?
Ni11 O22 C55 O23 16.1(12) . . . . ?
Ni11 O22 C55 C56 -162.4(5) . . . . ?
Ni6 O23 C55 O22 -167.8(6) . . . . ?
Ni7 O23 C55 O22 -8.7(12) . . . . ?
Ni6 O23 C55 C56 10.6(10) . . . . ?
Ni7 O23 C55 C56 169.7(5) . . . . ?
O22 C55 C56 C72 16.8(10) . . . . ?
O23 C55 C56 C72 -161.7(7) . . . . ?
O22 C55 C56 C57 -163.6(7) . . . . ?
O23 C55 C56 C57 17.9(12) . . . . ?
C72 C56 C57 C69 -1.4(11) . . . . ?
C55 C56 C57 C69 179.1(7) . . . . ?
C72 C56 C57 N4 172.6(7) . . . . ?
C55 C56 C57 N4 -6.9(12) . . . . ?
C58 N4 C57 C69 -31.1(11) . . . . ?
Ni6 N4 C57 C69 145.4(6) . . . . ?
C58 N4 C57 C56 155.0(7) . . . . ?
Ni6 N4 C57 C56 -28.5(9) . . . . ?
C57 N4 C58 C59 166.3(7) . . . . ?
Ni6 N4 C58 C59 -10.2(11) . . . . ?
N4 C58 C59 C60 -20.6(13) . . . . ?
N4 C58 C59 C64 162.8(8) . . . . ?
Ni6 O24 C60 C59 35.0(10) . . . . ?
Ni5 O24 C60 C59 -104.6(9) . . . . ?
Ni6 O24 C60 C61 -143.8(6) . . . . ?
Ni5 O24 C60 C61 76.6(9) . . . . ?
C64 C59 C60 O24 -177.1(8) . . . . ?
C58 C59 C60 O24 6.3(13) . . . . ?
C64 C59 C60 C61 1.7(12) . . . . ?
C58 C59 C60 C61 -174.9(8) . . . . ?
O24 C60 C61 C62 174.2(9) . . . . ?
C59 C60 C61 C62 -4.7(13) . . . . ?
C60 C61 C62 C63 6.4(16) . . . . ?
C61 C62 C63 C68 178.4(12) . . . . ?
C61 C62 C63 C64 -5.0(17) . . . . ?
C62 C63 C64 C65 -179.5(11) . . . . ?
C68 C63 C64 C65 -2.9(17) . . . . ?
C62 C63 C64 C59 1.9(15) . . . . ?
C68 C63 C64 C59 178.5(11) . . . . ?
C60 C59 C64 C65 -178.9(10) . . . . ?
C58 C59 C64 C65 -2.3(15) . . . . ?
C60 C59 C64 C63 -0.4(14) . . . . ?
C58 C59 C64 C63 176.2(9) . . . . ?
C63 C64 C65 C66 -0.2(18) . . . . ?
C59 C64 C65 C66 178.3(12) . . . . ?
C64 C65 C66 C67 3(2) . . . . ?
C65 C66 C67 C68 -3(3) . . . . ?
C66 C67 C68 C63 0(3) . . . . ?
C62 C63 C68 C67 179.8(15) . . . . ?
C64 C63 C68 C67 3(2) . . . . ?
C56 C57 C69 C70 0.6(11) . . . . ?
N4 C57 C69 C70 -173.4(7) . . . . ?
C57 C69 C70 C71 1.6(12) . . . . ?
C69 C70 C71 C72 -3.1(12) . . . . ?
C69 C70 C71 Cl3 174.3(6) . . . . ?
C70 C71 C72 C56 2.4(12) . . . . ?
Cl3 C71 C72 C56 -175.2(6) . . . . ?
C57 C56 C72 C71 -0.1(11) . . . . ?
C55 C56 C72 C71 179.5(7) . . . . ?
O17 C40 C75 C80 34.3(12) . . . . ?
O16 C40 C75 C80 -145.9(8) . . . . ?
O17 C40 C75 C76 -147.0(8) . . . . ?
O16 C40 C75 C76 32.8(10) . . . . ?
C80 C75 C76 C77 -3.6(13) . . . . ?
C40 C75 C76 C77 177.7(8) . . . . ?
C75 C76 C77 C78 2.5(14) . . . . ?
C76 C77 C78 C79 -0.6(16) . . . . ?
C77 C78 C79 C80 -0.2(17) . . . . ?
C76 C75 C80 C79 2.8(14) . . . . ?
C40 C75 C80 C79 -178.5(9) . . . . ?
C78 C79 C80 C75 -0.9(17) . . . . ?
Ni10 O25 C81 O26 14.9(11) . . . . ?
Ni10 O25 C81 C82 -164.7(5) . . . . ?
Ni1 O26 C81 O25 -17.5(11) . . . . ?
Ni1 O26 C81 C82 162.0(5) . . . . ?
O25 C81 C82 C87 -18.4(11) . . . . ?
O26 C81 C82 C87 162.0(8) . . . . ?
O25 C81 C82 C83 158.4(8) . . . . ?
O26 C81 C82 C83 -21.1(11) . . . . ?
C87 C82 C83 C84 -0.1(13) . . . . ?
C81 C82 C83 C84 -177.0(8) . . . . ?
C82 C83 C84 C85 -1.8(15) . . . . ?
C83 C84 C85 C86 0.6(17) . . . . ?
C84 C85 C86 C87 2.4(17) . . . . ?
C83 C82 C87 C86 3.0(13) . . . . ?
C81 C82 C87 C86 179.9(8) . . . . ?
C85 C86 C87 C82 -4.3(15) . . . . ?
Ni2 O27 C88 O7 5.8(11) . . . . ?
Ni2 O27 C88 C89 -173.2(5) . . . . ?
Ni6 O7 C88 O27 52.5(10) . . . . ?
Ni5 O7 C88 O27 -69.7(9) . . . . ?
Ni6 O7 C88 C89 -128.5(6) . . . . ?
Ni5 O7 C88 C89 109.3(7) . . . . ?
O27 C88 C89 C94 -6.2(12) . . . . ?
O7 C88 C89 C94 174.8(8) . . . . ?
O27 C88 C89 C90 172.9(8) . . . . ?
O7 C88 C89 C90 -6.1(11) . . . . ?
C94 C89 C90 C91 -1.2(13) . . . . ?
C88 C89 C90 C91 179.7(8) . . . . ?
C89 C90 C91 C92 0.4(14) . . . . ?
C90 C91 C92 C93 0.4(17) . . . . ?
C91 C92 C93 C94 -0.5(18) . . . . ?
C90 C89 C94 C93 1.2(15) . . . . ?
C88 C89 C94 C93 -179.7(9) . . . . ?
C92 C93 C94 C89 -0.4(18) . . . . ?
Ni5 O28 C95 O29 -17.5(11) . . . . ?
Ni5 O28 C95 C100 163.0(5) . . . . ?
Ni3 O29 C95 O28 -27.5(12) . . . . ?
Ni12 O29 C95 O28 173.8(5) . . . . ?
Ni3 O29 C95 C100 152.0(6) . . . . ?
Ni12 O29 C95 C100 -6.7(11) . . . . ?
Ni12 O30 C96 C97 -37.2(11) . . . . ?
Ni4 O30 C96 C97 -179.4(6) . . . . ?
Ni12 O30 C96 C108 145.0(7) . . . . ?
Ni4 O30 C96 C108 2.8(12) . . . . ?
O30 C96 C97 C98 -2.7(14) . . . . ?
C108 C96 C97 C98 175.1(9) . . . . ?
O30 C96 C97 C105 -177.0(8) . . . . ?
C108 C96 C97 C105 0.7(13) . . . . ?
C99 N6 C98 C97 -175.1(8) . . . . ?
Ni12 N6 C98 C97 -2.3(13) . . . . ?
C96 C97 C98 N6 24.5(14) . . . . ?
C105 C97 C98 N6 -161.3(9) . . . . ?
C98 N6 C99 C104 -51.3(12) . . . . ?
Ni12 N6 C99 C104 135.3(8) . . . . ?
C98 N6 C99 C100 125.9(9) . . . . ?
Ni12 N6 C99 C100 -47.5(10) . . . . ?
C104 C99 C100 C101 -0.6(13) . . . . ?
N6 C99 C100 C101 -177.9(8) . . . . ?
C104 C99 C100 C95 175.0(9) . . . . ?
N6 C99 C100 C95 -2.3(13) . . . . ?
O28 C95 C100 C101 27.3(11) . . . . ?
O29 C95 C100 C101 -152.2(8) . . . . ?
O28 C95 C100 C99 -148.3(8) . . . . ?
O29 C95 C100 C99 32.2(13) . . . . ?
C99 C100 C101 C102 -1.8(13) . . . . ?
C95 C100 C101 C102 -177.5(8) . . . . ?
C100 C101 C102 C103 3.6(14) . . . . ?
C100 C101 C102 Cl4 178.8(7) . . . . ?
C101 C102 C103 C104 -3.0(15) . . . . ?
Cl4 C102 C103 C104 -178.1(8) . . . . ?
C102 C103 C104 C99 0.6(16) . . . . ?
N6 C99 C104 C103 178.5(9) . . . . ?
C100 C99 C104 C103 1.2(15) . . . . ?
C96 C97 C105 C112 -179.6(9) . . . . ?
C98 C97 C105 C112 5.9(14) . . . . ?
C96 C97 C105 C106 1.0(13) . . . . ?
C98 C97 C105 C106 -173.5(9) . . . . ?
C112 C105 C106 C107 180.0(9) . . . . ?
C97 C105 C106 C107 -0.6(14) . . . . ?
C112 C105 C106 C109 1.2(14) . . . . ?
C97 C105 C106 C109 -179.4(9) . . . . ?
C105 C106 C107 C108 -1.5(15) . . . . ?
C109 C106 C107 C108 177.3(10) . . . . ?
C106 C107 C108 C96 3.3(16) . . . . ?
O30 C96 C108 C107 174.9(9) . . . . ?
C97 C96 C108 C107 -3.0(15) . . . . ?
C107 C106 C109 C110 -179.6(9) . . . . ?
C105 C106 C109 C110 -0.8(14) . . . . ?
C106 C109 C110 C111 0.9(15) . . . . ?
C109 C110 C111 C112 -1.5(16) . . . . ?
C110 C111 C112 C105 1.9(16) . . . . ?
C106 C105 C112 C111 -1.7(15) . . . . ?
C97 C105 C112 C111 178.9(10) . . . . ?
O6 C1 C117 C133 9.9(12) . . . . ?
O5 C1 C117 C133 -169.4(8) . . . . ?
O6 C1 C117 C118 -168.5(9) . . . . ?
O5 C1 C117 C118 12.2(13) . . . . ?
C133 C117 C118 C130 3.0(14) . . . . ?
C1 C117 C118 C130 -178.6(9) . . . . ?
C133 C117 C118 N9 179.4(8) . . . . ?
C1 C117 C118 N9 -2.2(14) . . . . ?
C119 N9 C118 C117 129.2(9) . . . . ?
Ni4 N9 C118 C117 -43.6(11) . . . . ?
C119 N9 C118 C130 -54.4(12) . . . . ?
Ni4 N9 C118 C130 132.8(8) . . . . ?
C118 N9 C119 C120 -170.7(9) . . . . ?
Ni4 N9 C119 C120 1.5(13) . . . . ?
N9 C119 C120 C121 22.5(14) . . . . ?
N9 C119 C120 C125 -162.6(9) . . . . ?
Ni4 O31 C121 C120 -24.9(12) . . . . ?
Ni4 O31 C121 C122 157.7(7) . . . . ?
C125 C120 C121 O31 175.5(9) . . . . ?
C119 C120 C121 O31 -9.7(14) . . . . ?
C125 C120 C121 C122 -7.1(13) . . . . ?
C119 C120 C121 C122 167.7(9) . . . . ?
O31 C121 C122 C123 -177.5(10) . . . . ?
C120 C121 C122 C123 4.8(16) . . . . ?
C121 C122 C123 C124 0.3(19) . . . . ?
C122 C123 C124 C129 174.1(12) . . . . ?
C122 C123 C124 C125 -3.1(18) . . . . ?
C129 C124 C125 C126 1.5(16) . . . . ?
C123 C124 C125 C126 178.8(11) . . . . ?
C129 C124 C125 C120 -176.5(10) . . . . ?
C123 C124 C125 C120 0.7(16) . . . . ?
C121 C120 C125 C126 -173.4(10) . . . . ?
C119 C120 C125 C126 11.7(14) . . . . ?
C121 C120 C125 C124 4.5(14) . . . . ?
C119 C120 C125 C124 -170.4(9) . . . . ?
C124 C125 C126 C127 -1.2(16) . . . . ?
C120 C125 C126 C127 176.8(10) . . . . ?
C125 C126 C127 C128 -1.3(18) . . . . ?
C126 C127 C128 C129 3.5(19) . . . . ?
C127 C128 C129 C124 -3.1(19) . . . . ?
C123 C124 C129 C128 -176.6(12) . . . . ?
C125 C124 C129 C128 0.6(18) . . . . ?
C117 C118 C130 C131 -1.9(15) . . . . ?
N9 C118 C130 C131 -178.3(9) . . . . ?
C118 C130 C131 C132 0.7(16) . . . . ?
C130 C131 C132 C133 -0.6(16) . . . . ?
C130 C131 C132 Cl5 -179.1(8) . . . . ?
C118 C117 C133 C132 -3.0(14) . . . . ?
C1 C117 C133 C132 178.5(8) . . . . ?
C131 C132 C133 C117 1.8(15) . . . . ?
Cl5 C132 C133 C117 -179.7(7) . . . . ?
