# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 1853247'
_audit_update_record             
;
2018-07-03 deposited with the CCDC.
2018-08-31 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C30 H32 N2 Ni O2'
_chemical_formula_sum            'C30 H32 N2 Ni O2'
_chemical_formula_weight         511.28

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 21'
_space_group_name_Hall           'P 2yb'

_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+1/2, -z'

_cell_length_a                   11.765(2)
_cell_length_b                   6.8480(14)
_cell_length_c                   15.417(3)
_cell_angle_alpha                90
_cell_angle_beta                 100.72(3)
_cell_angle_gamma                90
_cell_volume                     1220.4(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    3170
_cell_measurement_theta_min      1.93
_cell_measurement_theta_max      29.60

_exptl_crystal_description       block
_exptl_crystal_colour            'dark green'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.391
_exptl_crystal_F_000             540
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.24
_exptl_absorpt_coefficient_mu    0.826
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.67
_exptl_absorpt_correction_T_max  0.78
_exptl_absorpt_process_details   'W. Kabsch, Acta Cryst. D (2010)'

_exptl_absorpt_special_details   ?

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.700
_diffrn_radiation_type           synchrotron
_diffrn_radiation_source         'Elettra Synchrotron, Trieste (Italy)'
_diffrn_radiation_monochromator  Si111
_diffrn_measurement_device_type  'Dectris Pilatus 2M'
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            13380
_diffrn_reflns_av_unetI/netI     0.0127
_diffrn_reflns_av_R_equivalents  0.0092
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         1.324
_diffrn_reflns_theta_max         30.950
_diffrn_reflns_theta_full        24.835
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measured_fraction_theta_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.966
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.895
_diffrn_reflns_point_group_measured_fraction_full 0.938
_reflns_number_total             7249
_reflns_number_gt                7244
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.725
_reflns_Friedel_fraction_max     0.813
_reflns_Friedel_fraction_full    0.880

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Elettra XRD1 Data Collection SW'
_computing_cell_refinement       'XDS (Kabsch, 2010)'
_computing_data_reduction        'XDS - CCP4'
_computing_structure_solution    'SHELX97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Ortep3 for Windows (Farrugia,1997)'
_computing_publication_material  'Wingx Version 2013.3 (Farrugia, 2012)'

_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0566P)²+0.3475P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 3032 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.015(3)
_chemical_absolute_configuration rm
_refine_ls_number_reflns         7249
_refine_ls_number_parameters     316
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0307
_refine_ls_R_factor_gt           0.0307
_refine_ls_wR_factor_ref         0.0879
_refine_ls_wR_factor_gt          0.0879
_refine_ls_goodness_of_fit_ref   1.104
_refine_ls_restrained_S_all      1.104
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
Ni Ni 0.49104(2) 0.42060(6) 0.74915(2) 0.01975(7) Uani 1 1 d . . . . .
N1 N 0.61661(15) 0.5827(3) 0.80122(12) 0.0220(3) Uani 1 1 d . . . . .
N2 N 0.36561(14) 0.2482(3) 0.70353(11) 0.0192(3) Uani 1 1 d . . . . .
O1 O 0.59028(13) 0.2529(2) 0.70864(11) 0.0244(3) Uani 1 1 d . . . . .
O2 O 0.39155(13) 0.5952(2) 0.78538(11) 0.0236(3) Uani 1 1 d . . . . .
C1 C 0.68899(15) 0.2940(3) 0.68606(12) 0.0178(3) Uani 1 1 d . . . . .
C2 C 0.73857(16) 0.1461(3) 0.63860(13) 0.0203(3) Uani 1 1 d . . . . .
H2 H 0.7012 0.0266 0.6274 0.024 Uiso 1 1 calc R U . . .
C3 C 0.83945(16) 0.1782(3) 0.60984(12) 0.0198(3) Uani 1 1 d . . . . .
H3 H 0.8700 0.0795 0.5797 0.024 Uiso 1 1 calc R U . . .
C4 C 0.89945(16) 0.3595(3) 0.62480(11) 0.0174(3) Uani 1 1 d . . . . .
C5 C 1.00295(16) 0.3922(3) 0.59300(12) 0.0214(4) Uani 1 1 d . . . . .
H5 H 1.0322 0.2943 0.5615 0.026 Uiso 1 1 calc R U . . .
C6 C 1.06098(18) 0.5665(4) 0.60795(13) 0.0236(4) Uani 1 1 d . . . . .
H6 H 1.1299 0.5860 0.5878 0.028 Uiso 1 1 calc R U . . .
C7 C 1.01513(18) 0.7149(3) 0.65405(13) 0.0233(4) Uani 1 1 d . . . . .
H7 H 1.0536 0.8339 0.6634 0.028 Uiso 1 1 calc R U . . .
C8 C 0.91413(17) 0.6874(3) 0.68574(13) 0.0212(3) Uani 1 1 d . . . . .
H8 H 0.8851 0.7886 0.7154 0.025 Uiso 1 1 calc R U . . .
C9 C 0.85396(15) 0.5074(3) 0.67378(11) 0.0165(3) Uani 1 1 d . . . . .
C10 C 0.74909(16) 0.4703(3) 0.70691(12) 0.0182(3) Uani 1 1 d . . . . .
C11 C 0.71299(17) 0.5943(3) 0.77183(13) 0.0217(3) Uani 1 1 d . . . . .
H11 H 0.7638 0.6930 0.7953 0.026 Uiso 1 1 calc R U . . .
C12 C 0.29564(16) 0.5545(3) 0.81233(12) 0.0195(3) Uani 1 1 d . . . . .
C13 C 0.24744(17) 0.7055(3) 0.85860(13) 0.0227(4) Uani 1 1 d . . . . .
H13 H 0.2850 0.8254 0.8677 0.027 Uiso 1 1 calc R U . . .
C14 C 0.14731(17) 0.6765(3) 0.88953(13) 0.0223(4) Uani 1 1 d . . . . .
H14 H 0.1176 0.7771 0.9191 0.027 Uiso 1 1 calc R U . . .
C15 C 0.08772(16) 0.4951(3) 0.87732(12) 0.0194(3) Uani 1 1 d . . . . .
C16 C -0.01610(18) 0.4664(3) 0.90968(13) 0.0233(4) Uani 1 1 d . . . . .
H16 H -0.0443 0.5661 0.9407 0.028 Uiso 1 1 calc R U . . .
C17 C -0.07574(18) 0.2933(4) 0.89594(13) 0.0240(4) Uani 1 1 d . . . . .
H17 H -0.1451 0.2773 0.9159 0.029 Uiso 1 1 calc R U . . .
C18 C -0.03105(18) 0.1409(3) 0.85154(13) 0.0234(4) Uani 1 1 d . . . . .
H18 H -0.0704 0.0226 0.8431 0.028 Uiso 1 1 calc R U . . .
C19 C 0.07055(17) 0.1645(3) 0.82021(12) 0.0205(3) Uani 1 1 d . . . . .
H19 H 0.0993 0.0609 0.7918 0.025 Uiso 1 1 calc R U . . .
C20 C 0.13199(15) 0.3435(3) 0.83050(11) 0.0175(3) Uani 1 1 d . . . . .
C21 C 0.23653(15) 0.3764(3) 0.79642(11) 0.0168(3) Uani 1 1 d . . . . .
C22 C 0.27033(16) 0.2433(3) 0.73400(12) 0.0191(3) Uani 1 1 d . . . . .
H22 H 0.2187 0.1435 0.7134 0.023 Uiso 1 1 calc R U . . .
C23 C 0.60596(18) 0.7076(3) 0.87928(13) 0.0239(4) Uani 1 1 d . . . . .
H23 H 0.5360 0.6651 0.8999 0.029 Uiso 1 1 calc R U . . .
C24 C 0.7065(2) 0.6806(4) 0.95598(13) 0.0317(5) Uani 1 1 d . . . . .
H24A H 0.6957 0.7633 1.0041 0.048 Uiso 1 1 calc R U . . .
H24B H 0.7099 0.5468 0.9748 0.048 Uiso 1 1 calc R U . . .
H24C H 0.7775 0.7148 0.9375 0.048 Uiso 1 1 calc R U . . .
C25 C 0.5869(2) 0.9203(4) 0.85026(15) 0.0332(4) Uani 1 1 d . . . . .
H25A H 0.6571 0.9704 0.8339 0.040 Uiso 1 1 calc R U . . .
H25B H 0.5260 0.9264 0.7984 0.040 Uiso 1 1 calc R U . . .
C26 C 0.5542(3) 1.0491(5) 0.9222(2) 0.0439(6) Uani 1 1 d . . . . .
H26A H 0.5432 1.1809 0.9011 0.066 Uiso 1 1 calc R U . . .
H26B H 0.4838 1.0019 0.9378 0.066 Uiso 1 1 calc R U . . .
H26C H 0.6150 1.0459 0.9733 0.066 Uiso 1 1 calc R U . . .
C27 C 0.37592(16) 0.1209(3) 0.62700(12) 0.0199(3) Uani 1 1 d . . . . .
H27 H 0.4540 0.0652 0.6388 0.024 Uiso 1 1 calc R U . . .
C28 C 0.29181(19) -0.0491(3) 0.61018(15) 0.0281(4) Uani 1 1 d . . . . .
H28A H 0.3054 -0.1216 0.5598 0.042 Uiso 1 1 calc R U . . .
H28B H 0.3029 -0.1328 0.6610 0.042 Uiso 1 1 calc R U . . .
H28C H 0.2140 -0.0003 0.5991 0.042 Uiso 1 1 calc R U . . .
C29 C 0.3681(2) 0.2529(3) 0.54535(14) 0.0255(4) Uani 1 1 d . . . . .
H29A H 0.2875 0.2692 0.5180 0.031 Uiso 1 1 calc R U . . .
H29B H 0.3991 0.3807 0.5638 0.031 Uiso 1 1 calc R U . . .
C30 C 0.4344(2) 0.1689(4) 0.47775(14) 0.0290(4) Uani 1 1 d . . . . .
H30A H 0.4273 0.2554 0.4280 0.044 Uiso 1 1 calc R U . . .
H30B H 0.5145 0.1549 0.5042 0.044 Uiso 1 1 calc R U . . .
H30C H 0.4030 0.0435 0.4584 0.044 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
Ni O1 1.8286(16) . ?
Ni O2 1.8318(15) . ?
Ni N1 1.9022(18) . ?
Ni N2 1.9183(17) . ?
N1 C11 1.299(2) . ?
N1 C23 1.500(3) . ?
N2 C22 1.294(2) . ?
N2 C27 1.490(2) . ?
O1 C1 1.304(2) . ?
O2 C12 1.303(2) . ?
C1 C10 1.406(3) . ?
C1 C2 1.436(3) . ?
C2 C3 1.360(3) . ?
C2 H2 0.9300 . ?
C3 C4 1.425(3) . ?
C3 H3 0.9300 . ?
C4 C5 1.413(2) . ?
C4 C9 1.426(3) . ?
C5 C6 1.373(3) . ?
C5 H5 0.9300 . ?
C6 C7 1.404(3) . ?
C6 H6 0.9300 . ?
C7 C8 1.379(3) . ?
C7 H7 0.9300 . ?
C8 C9 1.416(3) . ?
C8 H8 0.9300 . ?
C9 C10 1.443(3) . ?
C10 C11 1.435(3) . ?
C11 H11 0.9300 . ?
C12 C21 1.403(3) . ?
C12 C13 1.432(3) . ?
C13 C14 1.365(3) . ?
C13 H13 0.9300 . ?
C14 C15 1.421(3) . ?
C14 H14 0.9300 . ?
C15 C16 1.416(3) . ?
C15 C20 1.418(3) . ?
C16 C17 1.373(3) . ?
C16 H16 0.9300 . ?
C17 C18 1.403(3) . ?
C17 H17 0.9300 . ?
C18 C19 1.380(3) . ?
C18 H18 0.9300 . ?
C19 C20 1.417(3) . ?
C19 H19 0.9300 . ?
C20 C21 1.442(2) . ?
C21 C22 1.434(2) . ?
C22 H22 0.9300 . ?
C23 C24 1.520(3) . ?
C23 C25 1.528(4) . ?
C23 H23 0.9800 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 C26 1.522(3) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 C28 1.519(3) . ?
C27 C29 1.538(3) . ?
C27 H27 0.9800 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 C30 1.525(3) . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?

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 Ni O2 177.48(9) . . ?
O1 Ni N1 90.90(7) . . ?
O2 Ni N1 88.88(8) . . ?
O1 Ni N2 89.13(7) . . ?
O2 Ni N2 91.26(7) . . ?
N1 Ni N2 176.38(8) . . ?
C11 N1 C23 116.97(17) . . ?
C11 N1 Ni 123.22(14) . . ?
C23 N1 Ni 119.80(13) . . ?
C22 N2 C27 118.42(16) . . ?
C22 N2 Ni 122.84(14) . . ?
C27 N2 Ni 118.68(12) . . ?
C1 O1 Ni 127.77(14) . . ?
C12 O2 Ni 126.71(15) . . ?
O1 C1 C10 124.03(18) . . ?
O1 C1 C2 116.75(18) . . ?
C10 C1 C2 119.20(17) . . ?
C3 C2 C1 120.93(18) . . ?
C3 C2 H2 119.5 . . ?
C1 C2 H2 119.5 . . ?
C2 C3 C4 121.61(18) . . ?
C2 C3 H3 119.2 . . ?
C4 C3 H3 119.2 . . ?
C5 C4 C3 120.98(18) . . ?
C5 C4 C9 120.25(18) . . ?
C3 C4 C9 118.76(17) . . ?
C6 C5 C4 120.88(19) . . ?
C6 C5 H5 119.6 . . ?
C4 C5 H5 119.6 . . ?
C5 C6 C7 119.23(19) . . ?
C5 C6 H6 120.4 . . ?
C7 C6 H6 120.4 . . ?
C8 C7 C6 121.2(2) . . ?
C8 C7 H7 119.4 . . ?
C6 C7 H7 119.4 . . ?
C7 C8 C9 121.03(19) . . ?
C7 C8 H8 119.5 . . ?
C9 C8 H8 119.5 . . ?
C8 C9 C4 117.36(17) . . ?
C8 C9 C10 123.14(18) . . ?
C4 C9 C10 119.48(17) . . ?
C1 C10 C11 117.76(17) . . ?
C1 C10 C9 119.80(17) . . ?
C11 C10 C9 121.75(17) . . ?
N1 C11 C10 126.71(18) . . ?
N1 C11 H11 116.6 . . ?
C10 C11 H11 116.6 . . ?
O2 C12 C21 124.12(18) . . ?
O2 C12 C13 116.79(19) . . ?
C21 C12 C13 119.06(18) . . ?
C14 C13 C12 121.1(2) . . ?
C14 C13 H13 119.5 . . ?
C12 C13 H13 119.5 . . ?
C13 C14 C15 121.18(19) . . ?
C13 C14 H14 119.4 . . ?
C15 C14 H14 119.4 . . ?
C16 C15 C20 120.0(2) . . ?
C16 C15 C14 120.76(19) . . ?
C20 C15 C14 119.23(18) . . ?
C17 C16 C15 121.00(19) . . ?
C17 C16 H16 119.5 . . ?
C15 C16 H16 119.5 . . ?
C16 C17 C18 119.35(19) . . ?
C16 C17 H17 120.3 . . ?
C18 C17 H17 120.3 . . ?
C19 C18 C17 120.8(2) . . ?
C19 C18 H18 119.6 . . ?
C17 C18 H18 119.6 . . ?
C18 C19 C20 121.29(19) . . ?
C18 C19 H19 119.4 . . ?
C20 C19 H19 119.4 . . ?
C19 C20 C15 117.55(18) . . ?
C19 C20 C21 123.10(17) . . ?
C15 C20 C21 119.35(18) . . ?
C12 C21 C22 118.66(17) . . ?
C12 C21 C20 120.04(16) . . ?
C22 C21 C20 120.45(16) . . ?
N2 C22 C21 126.44(18) . . ?
N2 C22 H22 116.8 . . ?
C21 C22 H22 116.8 . . ?
N1 C23 C24 112.68(18) . . ?
N1 C23 C25 109.75(17) . . ?
C24 C23 C25 113.2(2) . . ?
N1 C23 H23 106.9 . . ?
C24 C23 H23 106.9 . . ?
C25 C23 H23 106.9 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 C23 112.5(2) . . ?
C26 C25 H25A 109.1 . . ?
C23 C25 H25A 109.1 . . ?
C26 C25 H25B 109.1 . . ?
C23 C25 H25B 109.1 . . ?
H25A C25 H25B 107.8 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
N2 C27 C28 115.92(15) . . ?
N2 C27 C29 107.64(17) . . ?
C28 C27 C29 111.89(17) . . ?
N2 C27 H27 107.0 . . ?
C28 C27 H27 107.0 . . ?
C29 C27 H27 107.0 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C30 C29 C27 112.16(18) . . ?
C30 C29 H29A 109.2 . . ?
C27 C29 H29A 109.2 . . ?
C30 C29 H29B 109.2 . . ?
C27 C29 H29B 109.2 . . ?
H29A C29 H29B 107.9 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?

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
N1 Ni O1 C1 -30.15(18) . . . . ?
N2 Ni O1 C1 153.47(18) . . . . ?
N1 Ni O2 C12 -144.52(17) . . . . ?
N2 Ni O2 C12 31.86(17) . . . . ?
Ni O1 C1 C10 14.4(3) . . . . ?
Ni O1 C1 C2 -166.88(14) . . . . ?
O1 C1 C2 C3 177.88(19) . . . . ?
C10 C1 C2 C3 -3.4(3) . . . . ?
C1 C2 C3 C4 -0.5(3) . . . . ?
C2 C3 C4 C5 -178.71(18) . . . . ?
C2 C3 C4 C9 2.2(3) . . . . ?
C3 C4 C5 C6 -179.61(18) . . . . ?
C9 C4 C5 C6 -0.5(3) . . . . ?
C4 C5 C6 C7 -1.2(3) . . . . ?
C5 C6 C7 C8 1.1(3) . . . . ?
C6 C7 C8 C9 0.8(3) . . . . ?
C7 C8 C9 C4 -2.4(3) . . . . ?
C7 C8 C9 C10 178.95(18) . . . . ?
C5 C4 C9 C8 2.3(3) . . . . ?
C3 C4 C9 C8 -178.58(17) . . . . ?
C5 C4 C9 C10 -179.05(17) . . . . ?
C3 C4 C9 C10 0.1(3) . . . . ?
O1 C1 C10 C11 13.6(3) . . . . ?
C2 C1 C10 C11 -165.07(18) . . . . ?
O1 C1 C10 C9 -175.81(18) . . . . ?
C2 C1 C10 C9 5.5(3) . . . . ?
C8 C9 C10 C1 174.65(18) . . . . ?
C4 C9 C10 C1 -3.9(3) . . . . ?
C8 C9 C10 C11 -15.1(3) . . . . ?
C4 C9 C10 C11 166.29(18) . . . . ?
C23 N1 C11 C10 170.5(2) . . . . ?
Ni N1 C11 C10 -10.4(3) . . . . ?
C1 C10 C11 N1 -15.0(3) . . . . ?
C9 C10 C11 N1 174.6(2) . . . . ?
Ni O2 C12 C21 -17.7(3) . . . . ?
Ni O2 C12 C13 164.24(15) . . . . ?
O2 C12 C13 C14 -179.86(19) . . . . ?
C21 C12 C13 C14 2.0(3) . . . . ?
C12 C13 C14 C15 0.3(3) . . . . ?
C13 C14 C15 C16 179.98(19) . . . . ?
C13 C14 C15 C20 -1.4(3) . . . . ?
C20 C15 C16 C17 -0.5(3) . . . . ?
C14 C15 C16 C17 178.19(19) . . . . ?
C15 C16 C17 C18 2.0(3) . . . . ?
C16 C17 C18 C19 -1.3(3) . . . . ?
C17 C18 C19 C20 -1.0(3) . . . . ?
C18 C19 C20 C15 2.5(3) . . . . ?
C18 C19 C20 C21 -178.04(18) . . . . ?
C16 C15 C20 C19 -1.7(3) . . . . ?
C14 C15 C20 C19 179.59(17) . . . . ?
C16 C15 C20 C21 178.76(17) . . . . ?
C14 C15 C20 C21 0.1(3) . . . . ?
O2 C12 C21 C22 -11.7(3) . . . . ?
C13 C12 C21 C22 166.28(18) . . . . ?
O2 C12 C21 C20 178.77(18) . . . . ?
C13 C12 C21 C20 -3.3(3) . . . . ?
C19 C20 C21 C12 -177.24(17) . . . . ?
C15 C20 C21 C12 2.2(3) . . . . ?
C19 C20 C21 C22 13.4(3) . . . . ?
C15 C20 C21 C22 -167.12(17) . . . . ?
C27 N2 C22 C21 -168.75(18) . . . . ?
Ni N2 C22 C21 8.4(3) . . . . ?
C12 C21 C22 N2 15.9(3) . . . . ?
C20 C21 C22 N2 -174.60(19) . . . . ?
C11 N1 C23 C24 -52.6(3) . . . . ?
Ni N1 C23 C24 128.33(18) . . . . ?
C11 N1 C23 C25 74.6(2) . . . . ?
Ni N1 C23 C25 -104.52(19) . . . . ?
N1 C23 C25 C26 169.8(2) . . . . ?
C24 C23 C25 C26 -63.3(3) . . . . ?
C22 N2 C27 C28 -19.2(3) . . . . ?
Ni N2 C27 C28 163.61(15) . . . . ?
C22 N2 C27 C29 107.0(2) . . . . ?
Ni N2 C27 C29 -70.26(18) . . . . ?
N2 C27 C29 C30 151.37(17) . . . . ?
C28 C27 C29 C30 -80.1(2) . . . . ?

_refine_diff_density_max         0.754
_refine_diff_density_min         -0.647
_refine_diff_density_rms         0.087

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_2
_database_code_depnum_ccdc_archive 'CCDC 1853248'
_audit_update_record             
;
2018-07-03 deposited with the CCDC.
2018-08-31 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C34 H40 N2 Ni O2'
_chemical_formula_sum            'C34 H40 N2 Ni O2'
_chemical_formula_weight         567.39

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 21'
_space_group_name_Hall           'P 2yb'

_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+1/2, -z'

_cell_length_a                   18.579(4)
_cell_length_b                   31.710(6)
_cell_length_c                   40.968(8)
_cell_angle_alpha                90
_cell_angle_beta                 92.51(3)
_cell_angle_gamma                90
_cell_volume                     24113(8)
_cell_formula_units_Z            32
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    6455
_cell_measurement_theta_min      1.54
_cell_measurement_theta_max      28.75

_exptl_crystal_description       needle
_exptl_crystal_colour            'dark green'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.250
_exptl_crystal_F_000             9664
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.10
_exptl_absorpt_coefficient_mu    0.676
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.78
_exptl_absorpt_correction_T_max  0.88
_exptl_absorpt_process_details   'W. Kabsch, Acta Cryst. D (2010)'

_exptl_absorpt_special_details   ?

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.700
_diffrn_radiation_type           synchrotron
_diffrn_radiation_source         'Elettra Synchrotron, Trieste (Italy)'
_diffrn_radiation_monochromator  Si111
_diffrn_measurement_device_type  'Dectris Pilatus 2M'
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            270431
_diffrn_reflns_av_unetI/netI     0.0290
_diffrn_reflns_av_R_equivalents  0.0214
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -46
_diffrn_reflns_limit_k_max       46
_diffrn_reflns_limit_l_min       -60
_diffrn_reflns_limit_l_max       60
_diffrn_reflns_theta_min         0.490
_diffrn_reflns_theta_max         30.964
_diffrn_reflns_theta_full        24.835
_diffrn_measured_fraction_theta_max 0.965
_diffrn_measured_fraction_theta_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.965
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_point_group_measured_fraction_max 0.892
_diffrn_reflns_point_group_measured_fraction_full 0.944
_reflns_number_total             143030
_reflns_number_gt                132498
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.820
_reflns_Friedel_fraction_max     0.817
_reflns_Friedel_fraction_full    0.897

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Elettra XRD1 Data Collection SW'
_computing_cell_refinement       'XDS (Kabsch, 2010)'
_computing_data_reduction        'XDS - CCP4'
_computing_structure_solution    'SHELX97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Ortep3 for Windows (Farrugia,1997)'
_computing_publication_material  'Wingx Version 2013.3 (Farrugia, 2012)'

_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0500P)²+1.4951P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 55240 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.0150(13)
_chemical_absolute_configuration rm
_refine_ls_number_reflns         143030
_refine_ls_number_parameters     5745
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0343
_refine_ls_R_factor_gt           0.0307
_refine_ls_wR_factor_ref         0.0828
_refine_ls_wR_factor_gt          0.0804
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_restrained_S_all      1.034
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000

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_1 Ni 0.75221(2) 0.18186(2) 0.03610(2) 0.01358(3) Uani 1 1 d . . . . .
O1_1 O 0.76928(6) 0.17707(3) -0.00796(2) 0.01844(19) Uani 1 1 d . . . . .
O2_1 O 0.73025(6) 0.19033(4) 0.07941(2) 0.0201(2) Uani 1 1 d . . . . .
N1_1 N 0.83935(6) 0.21149(4) 0.04373(3) 0.0161(2) Uani 1 1 d . . . . .
N2_1 N 0.66370(6) 0.15402(4) 0.02782(3) 0.0149(2) Uani 1 1 d . . . . .
C1_1 C 0.79317(7) 0.20881(4) -0.02441(3) 0.0158(2) Uani 1 1 d . . . . .
C2_1 C 0.77662(8) 0.20981(5) -0.05892(3) 0.0218(3) Uani 1 1 d . . . . .
H2_1 H 0.7527 0.1871 -0.0689 0.026 Uiso 1 1 calc R U . . .
C3_1 C 0.79542(8) 0.24350(5) -0.07736(3) 0.0252(3) Uani 1 1 d . . . . .
H3_1 H 0.7830 0.2436 -0.0996 0.030 Uiso 1 1 calc R U . . .
C4_1 C 0.83373(8) 0.27880(5) -0.06347(3) 0.0218(3) Uani 1 1 d . . . . .
C5_1 C 0.84989(9) 0.31483(5) -0.08196(4) 0.0286(3) Uani 1 1 d . . . . .
H5_1 H 0.8354 0.3157 -0.1040 0.034 Uiso 1 1 calc R U . . .
C6_1 C 0.88632(10) 0.34850(5) -0.06837(4) 0.0339(4) Uani 1 1 d . . . . .
H6_1 H 0.8967 0.3718 -0.0811 0.041 Uiso 1 1 calc R U . . .
C7_1 C 0.90784(11) 0.34754(5) -0.03515(4) 0.0350(4) Uani 1 1 d . . . . .
H7_1 H 0.9327 0.3703 -0.0258 0.042 Uiso 1 1 calc R U . . .
C8_1 C 0.89236(9) 0.31298(5) -0.01631(4) 0.0276(3) Uani 1 1 d . . . . .
H8_1 H 0.9067 0.3129 0.0057 0.033 Uiso 1 1 calc R U . . .
C9_1 C 0.85501(8) 0.27751(4) -0.02974(3) 0.0188(2) Uani 1 1 d . . . . .
C10_1 C 0.83517(7) 0.24185(4) -0.01057(3) 0.0157(2) Uani 1 1 d . . . . .
C11_1 C 0.86313(7) 0.23758(4) 0.02247(3) 0.0169(2) Uani 1 1 d . . . . .
H11_1 H 0.9014 0.2549 0.0291 0.020 Uiso 1 1 calc R U . . .
C12_1 C 0.66625(8) 0.20356(4) 0.08693(3) 0.0180(2) Uani 1 1 d . . . . .
C13_1 C 0.66044(9) 0.22476(5) 0.11750(3) 0.0239(3) Uani 1 1 d . . . . .
H13_1 H 0.7010 0.2275 0.1314 0.029 Uiso 1 1 calc R U . . .
C14_1 C 0.59613(9) 0.24108(5) 0.12663(4) 0.0248(3) Uani 1 1 d . . . . .
H14_1 H 0.5938 0.2546 0.1467 0.030 Uiso 1 1 calc R U . . .
C15_1 C 0.53271(8) 0.23781(4) 0.10594(4) 0.0215(3) Uani 1 1 d . . . . .
C16_1 C 0.46716(9) 0.25688(5) 0.11469(4) 0.0269(3) Uani 1 1 d . . . . .
H16_1 H 0.4652 0.2711 0.1345 0.032 Uiso 1 1 calc R U . . .
C17_1 C 0.40654(9) 0.25462(5) 0.09429(5) 0.0314(4) Uani 1 1 d . . . . .
H17_1 H 0.3637 0.2669 0.1003 0.038 Uiso 1 1 calc R U . . .
C18_1 C 0.40997(9) 0.23350(5) 0.06413(4) 0.0275(3) Uani 1 1 d . . . . .
H18_1 H 0.3691 0.2320 0.0502 0.033 Uiso 1 1 calc R U . . .
C19_1 C 0.47314(8) 0.21502(5) 0.05501(4) 0.0218(3) Uani 1 1 d . . . . .
H19_1 H 0.4745 0.2016 0.0349 0.026 Uiso 1 1 calc R U . . .
C20_1 C 0.53615(8) 0.21609(4) 0.07582(3) 0.0175(2) Uani 1 1 d . . . . .
C21_1 C 0.60335(7) 0.19754(4) 0.06694(3) 0.0163(2) Uani 1 1 d . . . . .
C22_1 C 0.60541(7) 0.16784(4) 0.04049(3) 0.0163(2) Uani 1 1 d . . . . .
H22_1 H 0.5616 0.1578 0.0318 0.020 Uiso 1 1 calc R U . . .
C23_1 C 0.88150(7) 0.20491(5) 0.07491(3) 0.0199(2) Uani 1 1 d . . . . .
H23_1 H 0.8503 0.1887 0.0889 0.024 Uiso 1 1 calc R U . . .
C24_1 C 0.89651(10) 0.24630(5) 0.09267(4) 0.0308(3) Uani 1 1 d . . . . .
H24A_1 H 0.9236 0.2645 0.0791 0.046 Uiso 1 1 calc R U . . .
H24B_1 H 0.9237 0.2409 0.1127 0.046 Uiso 1 1 calc R U . . .
H24C_1 H 0.8517 0.2596 0.0974 0.046 Uiso 1 1 calc R U . . .
C25_1 C 0.94932(8) 0.17691(5) 0.07021(3) 0.0223(3) Uani 1 1 d . . . . .
C26_1 C 0.92910(9) 0.13968(5) 0.04749(4) 0.0287(3) Uani 1 1 d . . . . .
H26A_1 H 0.9168 0.1501 0.0260 0.043 Uiso 1 1 calc R U . . .
H26B_1 H 0.8886 0.1250 0.0558 0.043 Uiso 1 1 calc R U . . .
H26C_1 H 0.9693 0.1208 0.0466 0.043 Uiso 1 1 calc R U . . .
C27_1 C 1.01228(8) 0.20114(6) 0.05687(4) 0.0288(3) Uani 1 1 d . . . . .
H27A_1 H 1.0253 0.2239 0.0714 0.043 Uiso 1 1 calc R U . . .
H27B_1 H 0.9986 0.2123 0.0357 0.043 Uiso 1 1 calc R U . . .
H27C_1 H 1.0527 0.1825 0.0550 0.043 Uiso 1 1 calc R U . . .
C28_1 C 0.97298(10) 0.15864(7) 0.10367(4) 0.0404(4) Uani 1 1 d . . . . .
H28A_1 H 1.0134 0.1402 0.1013 0.061 Uiso 1 1 calc R U . . .
H28B_1 H 0.9338 0.1431 0.1124 0.061 Uiso 1 1 calc R U . . .
H28C_1 H 0.9865 0.1812 0.1183 0.061 Uiso 1 1 calc R U . . .
C29_1 C 0.66016(7) 0.11634(4) 0.00631(3) 0.0152(2) Uani 1 1 d . . . . .
H29_1 H 0.7066 0.1150 -0.0041 0.018 Uiso 1 1 calc R U . . .
C30_1 C 0.60317(8) 0.12102(5) -0.02149(3) 0.0224(3) Uani 1 1 d . . . . .
H30A_1 H 0.5561 0.1202 -0.0128 0.034 Uiso 1 1 calc R U . . .
H30B_1 H 0.6079 0.0984 -0.0368 0.034 Uiso 1 1 calc R U . . .
H30C_1 H 0.6097 0.1475 -0.0324 0.034 Uiso 1 1 calc R U . . .
C31_1 C 0.65484(7) 0.07518(4) 0.02673(3) 0.0173(2) Uani 1 1 d . . . . .
C32_1 C 0.65558(9) 0.03748(5) 0.00320(4) 0.0248(3) Uani 1 1 d . . . . .
H32A_1 H 0.6624 0.0119 0.0155 0.037 Uiso 1 1 calc R U . . .
H32B_1 H 0.6942 0.0408 -0.0114 0.037 Uiso 1 1 calc R U . . .
H32C_1 H 0.6106 0.0362 -0.0092 0.037 Uiso 1 1 calc R U . . .
C33_1 C 0.58687(8) 0.07229(5) 0.04649(4) 0.0235(3) Uani 1 1 d . . . . .
H33A_1 H 0.5451 0.0762 0.0322 0.035 Uiso 1 1 calc R U . . .
H33B_1 H 0.5882 0.0938 0.0630 0.035 Uiso 1 1 calc R U . . .
H33C_1 H 0.5847 0.0451 0.0567 0.035 Uiso 1 1 calc R U . . .
C34_1 C 0.72165(9) 0.07250(5) 0.05019(4) 0.0257(3) Uani 1 1 d . . . . .
H34A_1 H 0.7211 0.0955 0.0654 0.039 Uiso 1 1 calc R U . . .
H34B_1 H 0.7644 0.0741 0.0379 0.039 Uiso 1 1 calc R U . . .
H34C_1 H 0.7211 0.0463 0.0619 0.039 Uiso 1 1 calc R U . . .
Ni2_2 Ni 0.75756(2) 0.43127(2) 0.03436(2) 0.01328(4) Uani 1 1 d . . . . .
O3_2 O 0.77558(6) 0.41818(3) -0.00862(2) 0.01770(18) Uani 1 1 d . . . . .
O4_2 O 0.73813(6) 0.44530(4) 0.07702(2) 0.0197(2) Uani 1 1 d . . . . .
N3_2 N 0.84051(6) 0.46615(4) 0.03718(3) 0.0152(2) Uani 1 1 d . . . . .
N4_2 N 0.67079(6) 0.40049(4) 0.02962(3) 0.0147(2) Uani 1 1 d . . . . .
C1_2 C 0.79317(7) 0.44726(4) -0.02915(3) 0.0150(2) Uani 1 1 d . . . . .
C2_2 C 0.78011(8) 0.43877(5) -0.06349(3) 0.0196(2) Uani 1 1 d . . . . .
H2_2 H 0.7625 0.4126 -0.0701 0.024 Uiso 1 1 calc R U . . .
C3_2 C 0.79330(8) 0.46870(5) -0.08627(3) 0.0219(3) Uani 1 1 d . . . . .
H3_2 H 0.7849 0.4623 -0.1083 0.026 Uiso 1 1 calc R U . . .
C4_2 C 0.81961(7) 0.50956(5) -0.07737(3) 0.0196(2) Uani 1 1 d . . . . .
C5_2 C 0.82808(9) 0.54135(5) -0.10095(4) 0.0259(3) Uani 1 1 d . . . . .
H5_2 H 0.8173 0.5355 -0.1229 0.031 Uiso 1 1 calc R U . . .
C6_2 C 0.85203(9) 0.58077(5) -0.09196(4) 0.0285(3) Uani 1 1 d . . . . .
H6_2 H 0.8580 0.6014 -0.1077 0.034 Uiso 1 1 calc R U . . .
C7_2 C 0.86749(9) 0.58986(5) -0.05880(4) 0.0262(3) Uani 1 1 d . . . . .
H7_2 H 0.8831 0.6167 -0.0527 0.031 Uiso 1 1 calc R U . . .
C8_2 C 0.85967(7) 0.55928(5) -0.03526(3) 0.0208(2) Uani 1 1 d . . . . .
H8_2 H 0.8701 0.5658 -0.0134 0.025 Uiso 1 1 calc R U . . .
C9_2 C 0.83611(7) 0.51811(4) -0.04372(3) 0.0160(2) Uani 1 1 d . . . . .
C10_2 C 0.82535(7) 0.48581(4) -0.01995(3) 0.0142(2) Uani 1 1 d . . . . .
C11_2 C 0.85632(7) 0.48970(4) 0.01274(3) 0.0158(2) Uani 1 1 d . . . . .
H11_2 H 0.8904 0.5108 0.0166 0.019 Uiso 1 1 calc R U . . .
C12_2 C 0.67377(8) 0.45656(4) 0.08532(3) 0.0178(2) Uani 1 1 d . . . . .
C13_2 C 0.66803(9) 0.47983(5) 0.11514(4) 0.0246(3) Uani 1 1 d . . . . .
H13_2 H 0.7094 0.4852 0.1281 0.030 Uiso 1 1 calc R U . . .
C14_2 C 0.60322(10) 0.49427(5) 0.12486(4) 0.0261(3) Uani 1 1 d . . . . .
H14_2 H 0.6012 0.5090 0.1444 0.031 Uiso 1 1 calc R U . . .
C15_2 C 0.53848(9) 0.48716(5) 0.10559(4) 0.0229(3) Uani 1 1 d . . . . .
C16_2 C 0.47175(10) 0.50408(5) 0.11503(4) 0.0298(3) Uani 1 1 d . . . . .
H16_2 H 0.4699 0.5195 0.1343 0.036 Uiso 1 1 calc R U . . .
C17_2 C 0.40961(10) 0.49793(5) 0.09592(5) 0.0331(4) Uani 1 1 d . . . . .
H17_2 H 0.3659 0.5087 0.1024 0.040 Uiso 1 1 calc R U . . .
C18_2 C 0.41297(9) 0.47529(5) 0.06659(4) 0.0275(3) Uani 1 1 d . . . . .
H18_2 H 0.3713 0.4714 0.0535 0.033 Uiso 1 1 calc R U . . .
C19_2 C 0.47727(8) 0.45867(5) 0.05684(4) 0.0222(3) Uani 1 1 d . . . . .
H19_2 H 0.4783 0.4440 0.0372 0.027 Uiso 1 1 calc R U . . .
C20_2 C 0.54178(8) 0.46361(4) 0.07632(3) 0.0180(2) Uani 1 1 d . . . . .
C21_2 C 0.61005(8) 0.44666(4) 0.06696(3) 0.0164(2) Uani 1 1 d . . . . .
C22_2 C 0.61269(7) 0.41462(4) 0.04234(3) 0.0158(2) Uani 1 1 d . . . . .
H22_2 H 0.5691 0.4030 0.0349 0.019 Uiso 1 1 calc R U . . .
C23_2 C 0.88825(8) 0.46755(5) 0.06711(3) 0.0190(2) Uani 1 1 d . . . . .
H23_2 H 0.8587 0.4594 0.0853 0.023 Uiso 1 1 calc R U . . .
C24_2 C 0.91668(11) 0.51179(5) 0.07487(4) 0.0333(4) Uani 1 1 d . . . . .
H24A_2 H 0.9532 0.5190 0.0600 0.050 Uiso 1 1 calc R U . . .
H24B_2 H 0.9368 0.5125 0.0968 0.050 Uiso 1 1 calc R U . . .
H24C_2 H 0.8779 0.5317 0.0727 0.050 Uiso 1 1 calc R U . . .
C25_2 C 0.94841(8) 0.43341(6) 0.06496(3) 0.0252(3) Uani 1 1 d . . . . .
C26_2 C 0.99276(9) 0.43915(7) 0.03473(4) 0.0390(4) Uani 1 1 d . . . . .
H26A_2 H 1.0145 0.4666 0.0352 0.058 Uiso 1 1 calc R U . . .
H26B_2 H 0.9619 0.4364 0.0154 0.058 Uiso 1 1 calc R U . . .
H26C_2 H 1.0297 0.4180 0.0346 0.058 Uiso 1 1 calc R U . . .
C27_2 C 0.91410(10) 0.38943(6) 0.06358(4) 0.0330(3) Uani 1 1 d . . . . .
H27A_2 H 0.8831 0.3871 0.0443 0.049 Uiso 1 1 calc R U . . .
H27B_2 H 0.8865 0.3852 0.0826 0.049 Uiso 1 1 calc R U . . .
H27C_2 H 0.9513 0.3684 0.0630 0.049 Uiso 1 1 calc R U . . .
C28_2 C 0.99888(9) 0.43601(7) 0.09548(4) 0.0378(4) Uani 1 1 d . . . . .
H28A_2 H 1.0326 0.4131 0.0954 0.057 Uiso 1 1 calc R U . . .
H28B_2 H 0.9711 0.4343 0.1147 0.057 Uiso 1 1 calc R U . . .
H28C_2 H 1.0246 0.4623 0.0955 0.057 Uiso 1 1 calc R U . . .
C29_2 C 0.66688(7) 0.36068(4) 0.01046(3) 0.0154(2) Uani 1 1 d . . . . .
H29_2 H 0.7120 0.3590 -0.0010 0.018 Uiso 1 1 calc R U . . .
C30_2 C 0.60668(9) 0.36172(5) -0.01618(4) 0.0263(3) Uani 1 1 d . . . . .
H30A_2 H 0.5608 0.3605 -0.0063 0.039 Uiso 1 1 calc R U . . .
H30B_2 H 0.6115 0.3380 -0.0305 0.039 Uiso 1 1 calc R U . . .
H30C_2 H 0.6099 0.3874 -0.0285 0.039 Uiso 1 1 calc R U . . .
C31_2 C 0.66610(8) 0.32166(4) 0.03326(4) 0.0210(3) Uani 1 1 d . . . . .
C32_2 C 0.66472(10) 0.28187(5) 0.01171(4) 0.0273(3) Uani 1 1 d . . . . .
H32A_2 H 0.7005 0.2843 -0.0044 0.041 Uiso 1 1 calc R U . . .
H32B_2 H 0.6180 0.2789 0.0010 0.041 Uiso 1 1 calc R U . . .
H32C_2 H 0.6749 0.2575 0.0251 0.041 Uiso 1 1 calc R U . . .
C33_2 C 0.60140(11) 0.32016(5) 0.05514(4) 0.0331(4) Uani 1 1 d . . . . .
H33A_2 H 0.6014 0.2939 0.0667 0.050 Uiso 1 1 calc R U . . .
H33B_2 H 0.5577 0.3226 0.0419 0.050 Uiso 1 1 calc R U . . .
H33C_2 H 0.6045 0.3430 0.0705 0.050 Uiso 1 1 calc R U . . .
C34_2 C 0.73573(11) 0.32128(6) 0.05471(5) 0.0356(4) Uani 1 1 d . . . . .
H34A_2 H 0.7368 0.2966 0.0683 0.053 Uiso 1 1 calc R U . . .
H34B_2 H 0.7376 0.3460 0.0682 0.053 Uiso 1 1 calc R U . . .
H34C_2 H 0.7764 0.3210 0.0411 0.053 Uiso 1 1 calc R U . . .
Ni3_3 Ni 0.76285(2) 0.68036(2) 0.03350(2) 0.01345(4) Uani 1 1 d . . . . .
O5_3 O 0.78151(6) 0.66671(3) -0.00945(2) 0.01761(18) Uani 1 1 d . . . . .
O6_3 O 0.74425(6) 0.69497(4) 0.07616(2) 0.0199(2) Uani 1 1 d . . . . .
N5_3 N 0.84736(6) 0.71399(4) 0.03600(3) 0.0157(2) Uani 1 1 d . . . . .
N6_3 N 0.67456(6) 0.65150(4) 0.02848(3) 0.01452(19) Uani 1 1 d . . . . .
C1_3 C 0.79367(7) 0.69728(4) -0.02974(3) 0.0150(2) Uani 1 1 d . . . . .
C2_3 C 0.77373(7) 0.69105(5) -0.06372(3) 0.0185(2) Uani 1 1 d . . . . .
H2_3 H 0.7565 0.6649 -0.0708 0.022 Uiso 1 1 calc R U . . .
C3_3 C 0.77981(8) 0.72294(5) -0.08568(3) 0.0207(3) Uani 1 1 d . . . . .
H3_3 H 0.7662 0.7182 -0.1075 0.025 Uiso 1 1 calc R U . . .
C4_3 C 0.80663(7) 0.76354(5) -0.07610(3) 0.0185(2) Uani 1 1 d . . . . .
C5_3 C 0.80626(9) 0.79772(5) -0.09816(3) 0.0248(3) Uani 1 1 d . . . . .
H5_3 H 0.7892 0.7938 -0.1196 0.030 Uiso 1 1 calc R U . . .
C6_3 C 0.83090(9) 0.83673(5) -0.08823(4) 0.0273(3) Uani 1 1 d . . . . .
H6_3 H 0.8303 0.8591 -0.1029 0.033 Uiso 1 1 calc R U . . .
C7_3 C 0.85702(9) 0.84282(5) -0.05580(4) 0.0254(3) Uani 1 1 d . . . . .
H7_3 H 0.8740 0.8692 -0.0492 0.030 Uiso 1 1 calc R U . . .
C8_3 C 0.85764(8) 0.81004(5) -0.03380(4) 0.0211(3) Uani 1 1 d . . . . .
H8_3 H 0.8750 0.8146 -0.0125 0.025 Uiso 1 1 calc R U . . .
C9_3 C 0.83226(7) 0.76943(4) -0.04307(3) 0.0160(2) Uani 1 1 d . . . . .
C10_3 C 0.82703(7) 0.73545(4) -0.02034(3) 0.0146(2) Uani 1 1 d . . . . .
C11_3 C 0.86237(7) 0.73775(4) 0.01158(3) 0.0164(2) Uani 1 1 d . . . . .
H11_3 H 0.8986 0.7578 0.0149 0.020 Uiso 1 1 calc R U . . .
C12_3 C 0.68021(8) 0.70663(4) 0.08478(3) 0.0181(2) Uani 1 1 d . . . . .
C13_3 C 0.67530(9) 0.72845(5) 0.11529(3) 0.0250(3) Uani 1 1 d . . . . .
H13_3 H 0.7168 0.7330 0.1283 0.030 Uiso 1 1 calc R U . . .
C14_3 C 0.61070(10) 0.74270(5) 0.12554(4) 0.0270(3) Uani 1 1 d . . . . .
H14_3 H 0.6089 0.7561 0.1457 0.032 Uiso 1 1 calc R U . . .
C15_3 C 0.54589(9) 0.73739(5) 0.10597(4) 0.0234(3) Uani 1 1 d . . . . .
C16_3 C 0.47957(10) 0.75409(5) 0.11609(4) 0.0312(4) Uani 1 1 d . . . . .
H16_3 H 0.4779 0.7679 0.1361 0.037 Uiso 1 1 calc R U . . .
C17_3 C 0.41772(10) 0.75008(6) 0.09661(5) 0.0355(4) Uani 1 1 d . . . . .
H17_3 H 0.3743 0.7607 0.1036 0.043 Uiso 1 1 calc R U . . .
C18_3 C 0.42037(9) 0.72996(5) 0.06615(5) 0.0301(3) Uani 1 1 d . . . . .
H18_3 H 0.3788 0.7278 0.0528 0.036 Uiso 1 1 calc R U . . .
C19_3 C 0.48449(8) 0.71335(5) 0.05593(4) 0.0231(3) Uani 1 1 d . . . . .
H19_3 H 0.4855 0.7003 0.0356 0.028 Uiso 1 1 calc R U . . .
C20_3 C 0.54850(8) 0.71587(4) 0.07585(4) 0.0189(2) Uani 1 1 d . . . . .
C21_3 C 0.61610(7) 0.69822(4) 0.06619(3) 0.0167(2) Uani 1 1 d . . . . .
C22_3 C 0.61714(7) 0.66687(4) 0.04105(3) 0.0157(2) Uani 1 1 d . . . . .
H22_3 H 0.5729 0.6566 0.0330 0.019 Uiso 1 1 calc R U . . .
C23_3 C 0.89677(8) 0.71385(5) 0.06529(3) 0.0204(3) Uani 1 1 d . . . . .
H23_3 H 0.8673 0.7078 0.0840 0.024 Uiso 1 1 calc R U . . .
C24_3 C 0.93220(11) 0.75658(6) 0.07189(4) 0.0380(4) Uani 1 1 d . . . . .
H24A_3 H 0.9692 0.7611 0.0566 0.057 Uiso 1 1 calc R U . . .
H24B_3 H 0.9531 0.7571 0.0937 0.057 Uiso 1 1 calc R U . . .
H24C_3 H 0.8966 0.7784 0.0695 0.057 Uiso 1 1 calc R U . . .
C25_3 C 0.95119(8) 0.67661(6) 0.06294(4) 0.0260(3) Uani 1 1 d . . . . .
C26_3 C 0.99411(10) 0.67944(8) 0.03197(4) 0.0435(5) Uani 1 1 d . . . . .
H26A_3 H 1.0193 0.7059 0.0317 0.065 Uiso 1 1 calc R U . . .
H26B_3 H 0.9618 0.6775 0.0131 0.065 Uiso 1 1 calc R U . . .
H26C_3 H 1.0282 0.6567 0.0317 0.065 Uiso 1 1 calc R U . . .
C27_3 C 0.91067(10) 0.63467(6) 0.06266(5) 0.0356(4) Uani 1 1 d . . . . .
H27A_3 H 0.9446 0.6118 0.0625 0.053 Uiso 1 1 calc R U . . .
H27B_3 H 0.8792 0.6331 0.0435 0.053 Uiso 1 1 calc R U . . .
H27C_3 H 0.8828 0.6327 0.0818 0.053 Uiso 1 1 calc R U . . .
C28_3 C 1.00337(9) 0.67735(7) 0.09296(4) 0.0389(4) Uani 1 1 d . . . . .
H28A_3 H 1.0324 0.6523 0.0933 0.058 Uiso 1 1 calc R U . . .
H28B_3 H 0.9765 0.6785 0.1124 0.058 Uiso 1 1 calc R U . . .
H28C_3 H 1.0339 0.7017 0.0920 0.058 Uiso 1 1 calc R U . . .
C29_3 C 0.66825(7) 0.61249(4) 0.00861(3) 0.0152(2) Uani 1 1 d . . . . .
H29_3 H 0.7141 0.6097 -0.0021 0.018 Uiso 1 1 calc R U . . .
C30_3 C 0.61045(8) 0.61663(5) -0.01896(4) 0.0218(3) Uani 1 1 d . . . . .
H30A_3 H 0.5637 0.6170 -0.0099 0.033 Uiso 1 1 calc R U . . .
H30B_3 H 0.6137 0.5931 -0.0336 0.033 Uiso 1 1 calc R U . . .
H30C_3 H 0.6177 0.6424 -0.0307 0.033 Uiso 1 1 calc R U . . .
C31_3 C 0.66217(8) 0.57276(4) 0.03048(4) 0.0199(3) Uani 1 1 d . . . . .
C32_3 C 0.66173(9) 0.53376(5) 0.00825(4) 0.0270(3) Uani 1 1 d . . . . .
H32A_3 H 0.6673 0.5088 0.0214 0.040 Uiso 1 1 calc R U . . .
H32B_3 H 0.7008 0.5356 -0.0063 0.040 Uiso 1 1 calc R U . . .
H32C_3 H 0.6169 0.5325 -0.0043 0.040 Uiso 1 1 calc R U . . .
C33_3 C 0.59479(10) 0.57156(5) 0.05057(4) 0.0288(3) Uani 1 1 d . . . . .
H33A_3 H 0.5528 0.5752 0.0364 0.043 Uiso 1 1 calc R U . . .
H33B_3 H 0.5971 0.5938 0.0665 0.043 Uiso 1 1 calc R U . . .
H33C_3 H 0.5921 0.5449 0.0615 0.043 Uiso 1 1 calc R U . . .
C34_3 C 0.72934(10) 0.57067(5) 0.05371(4) 0.0322(4) Uani 1 1 d . . . . .
H34A_3 H 0.7297 0.5944 0.0682 0.048 Uiso 1 1 calc R U . . .
H34B_3 H 0.7718 0.5712 0.0412 0.048 Uiso 1 1 calc R U . . .
H34C_3 H 0.7284 0.5451 0.0662 0.048 Uiso 1 1 calc R U . . .
Ni4_4 Ni 0.75720(2) 0.93843(2) 0.03762(2) 0.01249(4) Uani 1 1 d . . . . .
O7_4 O 0.78473(6) 0.92362(3) -0.00386(2) 0.01793(19) Uani 1 1 d . . . . .
O8_4 O 0.72940(5) 0.95481(3) 0.07856(2) 0.01721(18) Uani 1 1 d . . . . .
N7_4 N 0.83803(6) 0.97517(3) 0.04229(3) 0.01385(19) Uani 1 1 d . . . . .
N8_4 N 0.67231(6) 0.90622(3) 0.03064(3) 0.01452(19) Uani 1 1 d . . . . .
C1_4 C 0.79743(7) 0.95377(4) -0.02445(3) 0.0147(2) Uani 1 1 d . . . . .
C2_4 C 0.78155(8) 0.94570(4) -0.05855(3) 0.0187(2) Uani 1 1 d . . . . .
H2_4 H 0.7667 0.9189 -0.0652 0.022 Uiso 1 1 calc R U . . .
C3_4 C 0.78797(8) 0.97670(5) -0.08119(3) 0.0205(3) Uani 1 1 d . . . . .
H3_4 H 0.7772 0.9707 -0.1031 0.025 Uiso 1 1 calc R U . . .
C4_4 C 0.81097(7) 1.01834(5) -0.07217(3) 0.0182(2) Uani 1 1 d . . . . .
C5_4 C 0.80989(8) 1.05135(5) -0.09518(3) 0.0246(3) Uani 1 1 d . . . . .
H5_4 H 0.7963 1.0457 -0.1169 0.030 Uiso 1 1 calc R U . . .
C6_4 C 0.82861(9) 1.09164(5) -0.08610(4) 0.0268(3) Uani 1 1 d . . . . .
H6_4 H 0.8276 1.1132 -0.1015 0.032 Uiso 1 1 calc R U . . .
C7_4 C 0.84943(8) 1.10007(5) -0.05327(4) 0.0228(3) Uani 1 1 d . . . . .
H7_4 H 0.8620 1.1274 -0.0470 0.027 Uiso 1 1 calc R U . . .
C8_4 C 0.85137(8) 1.06835(4) -0.03035(3) 0.0189(2) Uani 1 1 d . . . . .
H8_4 H 0.8657 1.0746 -0.0089 0.023 Uiso 1 1 calc R U . . .
C9_4 C 0.83201(7) 1.02640(4) -0.03881(3) 0.0151(2) Uani 1 1 d . . . . .
C10_4 C 0.82678(7) 0.99309(4) -0.01530(3) 0.0138(2) Uani 1 1 d . . . . .
C11_4 C 0.85575(7) 0.99823(4) 0.01779(3) 0.0147(2) Uani 1 1 d . . . . .
H11_4 H 0.8894 1.0195 0.0218 0.018 Uiso 1 1 calc R U . . .
C12_4 C 0.66298(7) 0.96437(4) 0.08485(3) 0.0154(2) Uani 1 1 d . . . . .
C13_4 C 0.65156(8) 0.98841(5) 0.11377(3) 0.0203(3) Uani 1 1 d . . . . .
H13_4 H 0.6909 0.9959 0.1274 0.024 Uiso 1 1 calc R U . . .
C14_4 C 0.58403(8) 1.00061(5) 0.12178(3) 0.0214(3) Uani 1 1 d . . . . .
H14_4 H 0.5781 1.0156 0.1410 0.026 Uiso 1 1 calc R U . . .
C15_4 C 0.52240(8) 0.99063(4) 0.10114(3) 0.0186(2) Uani 1 1 d . . . . .
C16_4 C 0.45301(8) 1.00514(5) 0.10875(4) 0.0248(3) Uani 1 1 d . . . . .
H16_4 H 0.4473 1.0207 0.1277 0.030 Uiso 1 1 calc R U . . .
C17_4 C 0.39392(8) 0.99642(5) 0.08845(4) 0.0280(3) Uani 1 1 d . . . . .
H17_4 H 0.3484 1.0058 0.0937 0.034 Uiso 1 1 calc R U . . .
C18_4 C 0.40295(8) 0.97322(5) 0.05970(4) 0.0243(3) Uani 1 1 d . . . . .
H18_4 H 0.3632 0.9673 0.0459 0.029 Uiso 1 1 calc R U . . .
C19_4 C 0.47013(8) 0.95906(4) 0.05173(4) 0.0195(2) Uani 1 1 d . . . . .
H19_4 H 0.4751 0.9443 0.0323 0.023 Uiso 1 1 calc R U . . .
C20_4 C 0.53168(7) 0.96659(4) 0.07247(3) 0.0157(2) Uani 1 1 d . . . . .
C21_4 C 0.60280(7) 0.95175(4) 0.06519(3) 0.0142(2) Uani 1 1 d . . . . .
C22_4 C 0.61145(7) 0.91925(4) 0.04132(3) 0.0151(2) Uani 1 1 d . . . . .
H22_4 H 0.5698 0.9064 0.0327 0.018 Uiso 1 1 calc R U . . .
C23_4 C 0.87962(7) 0.97912(4) 0.07390(3) 0.0161(2) Uani 1 1 d . . . . .
H23_4 H 0.8475 0.9695 0.0907 0.019 Uiso 1 1 calc R U . . .
C24_4 C 0.89858(8) 1.02496(5) 0.08240(3) 0.0238(3) Uani 1 1 d . . . . .
H24A_4 H 0.9379 1.0340 0.0696 0.036 Uiso 1 1 calc R U . . .
H24B_4 H 0.9123 1.0270 0.1052 0.036 Uiso 1 1 calc R U . . .
H24C_4 H 0.8574 1.0426 0.0777 0.036 Uiso 1 1 calc R U . . .
C25_4 C 0.94500(7) 0.94839(5) 0.07536(3) 0.0193(2) Uani 1 1 d . . . . .
C26_4 C 0.99980(9) 0.95954(6) 0.05034(4) 0.0336(4) Uani 1 1 d . . . . .
H26A_4 H 1.0407 0.9411 0.0530 0.050 Uiso 1 1 calc R U . . .
H26B_4 H 1.0151 0.9882 0.0535 0.050 Uiso 1 1 calc R U . . .
H26C_4 H 0.9783 0.9563 0.0287 0.050 Uiso 1 1 calc R U . . .
C27_4 C 0.91764(10) 0.90323(5) 0.07007(6) 0.0421(5) Uani 1 1 d . . . . .
H27A_4 H 0.8982 0.9003 0.0481 0.063 Uiso 1 1 calc R U . . .
H27B_4 H 0.8808 0.8973 0.0851 0.063 Uiso 1 1 calc R U . . .
H27C_4 H 0.9568 0.8838 0.0737 0.063 Uiso 1 1 calc R U . . .
C28_4 C 0.98256(9) 0.95087(6) 0.10942(4) 0.0340(4) Uani 1 1 d . . . . .
H28A_4 H 1.0202 0.9301 0.1112 0.051 Uiso 1 1 calc R U . . .
H28B_4 H 0.9481 0.9455 0.1257 0.051 Uiso 1 1 calc R U . . .
H28C_4 H 1.0029 0.9785 0.1127 0.051 Uiso 1 1 calc R U . . .
C29_4 C 0.67319(7) 0.86613(4) 0.01176(3) 0.0160(2) Uani 1 1 d . . . . .
H29_4 H 0.7197 0.8654 0.0013 0.019 Uiso 1 1 calc R U . . .
C30_4 C 0.61538(9) 0.86563(5) -0.01621(4) 0.0260(3) Uani 1 1 d . . . . .
H30A_4 H 0.5686 0.8633 -0.0073 0.039 Uiso 1 1 calc R U . . .
H30B_4 H 0.6234 0.8420 -0.0302 0.039 Uiso 1 1 calc R U . . .
H30C_4 H 0.6181 0.8913 -0.0286 0.039 Uiso 1 1 calc R U . . .
C31_4 C 0.67274(8) 0.82730(4) 0.03476(4) 0.0210(3) Uani 1 1 d . . . . .
C32_4 C 0.67643(10) 0.78734(5) 0.01368(4) 0.0298(3) Uani 1 1 d . . . . .
H32A_4 H 0.6879 0.7635 0.0274 0.045 Uiso 1 1 calc R U . . .
H32B_4 H 0.7130 0.7907 -0.0020 0.045 Uiso 1 1 calc R U . . .
H32C_4 H 0.6307 0.7828 0.0024 0.045 Uiso 1 1 calc R U . . .
C33_4 C 0.60607(11) 0.82432(5) 0.05525(4) 0.0326(4) Uani 1 1 d . . . . .
H33A_4 H 0.5635 0.8247 0.0411 0.049 Uiso 1 1 calc R U . . .
H33B_4 H 0.6052 0.8478 0.0700 0.049 Uiso 1 1 calc R U . . .
H33C_4 H 0.6077 0.7985 0.0675 0.049 Uiso 1 1 calc R U . . .
C34_4 C 0.74055(11) 0.82883(6) 0.05756(5) 0.0371(4) Uani 1 1 d . . . . .
H34A_4 H 0.7427 0.8040 0.0709 0.056 Uiso 1 1 calc R U . . .
H34B_4 H 0.7388 0.8533 0.0713 0.056 Uiso 1 1 calc R U . . .
H34C_4 H 0.7825 0.8301 0.0447 0.056 Uiso 1 1 calc R U . . .
Ni5_5 Ni 0.75296(2) 0.06014(2) 0.28776(2) 0.01277(3) Uani 1 1 d . . . . .
O9_5 O 0.77530(6) 0.05162(3) 0.24455(2) 0.0200(2) Uani 1 1 d . . . . .
O10_5 O 0.72601(5) 0.07214(3) 0.32985(2) 0.01778(18) Uani 1 1 d . . . . .
N9_5 N 0.83750(6) 0.09264(4) 0.29540(3) 0.01447(19) Uani 1 1 d . . . . .
N10_5 N 0.66679(6) 0.03001(3) 0.27918(3) 0.01439(19) Uani 1 1 d . . . . .
C1_5 C 0.79617(7) 0.08306(4) 0.22691(3) 0.0165(2) Uani 1 1 d . . . . .
C2_5 C 0.78003(8) 0.08180(5) 0.19229(3) 0.0227(3) Uani 1 1 d . . . . .
H2_5 H 0.7586 0.0579 0.1830 0.027 Uiso 1 1 calc R U . . .
C3_5 C 0.79553(8) 0.11499(6) 0.17286(3) 0.0269(3) Uani 1 1 d . . . . .
H3_5 H 0.7836 0.1134 0.1506 0.032 Uiso 1 1 calc R U . . .
C4_5 C 0.82965(8) 0.15231(5) 0.18553(3) 0.0234(3) Uani 1 1 d . . . . .
C5_5 C 0.84136(10) 0.18830(6) 0.16607(4) 0.0333(4) Uani 1 1 d . . . . .
H5_5 H 0.8273 0.1876 0.1440 0.040 Uiso 1 1 calc R U . . .
C6_5 C 0.87285(12) 0.22408(6) 0.17883(4) 0.0408(5) Uani 1 1 d . . . . .
H6_5 H 0.8803 0.2473 0.1655 0.049 Uiso 1 1 calc R U . . .
C7_5 C 0.89360(12) 0.22531(5) 0.21196(4) 0.0401(4) Uani 1 1 d . . . . .
H7_5 H 0.9148 0.2496 0.2208 0.048 Uiso 1 1 calc R U . . .
C8_5 C 0.88298(10) 0.19104(5) 0.23174(4) 0.0293(3) Uani 1 1 d . . . . .
H8_5 H 0.8974 0.1925 0.2537 0.035 Uiso 1 1 calc R U . . .
C9_5 C 0.85043(8) 0.15344(4) 0.21930(3) 0.0198(2) Uani 1 1 d . . . . .
C10_5 C 0.83434(7) 0.11816(4) 0.23958(3) 0.0155(2) Uani 1 1 d . . . . .
C11_5 C 0.86114(7) 0.11722(4) 0.27302(3) 0.0161(2) Uani 1 1 d . . . . .
H11_5 H 0.8983 0.1357 0.2790 0.019 Uiso 1 1 calc R U . . .
C12_5 C 0.66035(7) 0.08385(4) 0.33587(3) 0.0154(2) Uani 1 1 d . . . . .
C13_5 C 0.65004(8) 0.10664(5) 0.36538(3) 0.0204(3) Uani 1 1 d . . . . .
H13_5 H 0.6894 0.1118 0.3796 0.024 Uiso 1 1 calc R U . . .
C14_5 C 0.58362(8) 0.12101(5) 0.37318(3) 0.0211(3) Uani 1 1 d . . . . .
H14_5 H 0.5785 0.1353 0.3928 0.025 Uiso 1 1 calc R U . . .
C15_5 C 0.52199(8) 0.11440(4) 0.35170(3) 0.0183(2) Uani 1 1 d . . . . .
C16_5 C 0.45417(8) 0.13153(5) 0.35895(4) 0.0254(3) Uani 1 1 d . . . . .
H16_5 H 0.4493 0.1464 0.3783 0.030 Uiso 1 1 calc R U . . .
C17_5 C 0.39537(8) 0.12643(5) 0.33764(4) 0.0288(3) Uani 1 1 d . . . . .
H17_5 H 0.3509 0.1377 0.3426 0.035 Uiso 1 1 calc R U . . .
C18_5 C 0.40317(8) 0.10407(5) 0.30830(4) 0.0251(3) Uani 1 1 d . . . . .
H18_5 H 0.3636 0.1006 0.2939 0.030 Uiso 1 1 calc R U . . .
C19_5 C 0.46889(7) 0.08724(4) 0.30075(4) 0.0191(2) Uani 1 1 d . . . . .
H19_5 H 0.4732 0.0729 0.2811 0.023 Uiso 1 1 calc R U . . .
C20_5 C 0.53008(7) 0.09140(4) 0.32249(3) 0.0159(2) Uani 1 1 d . . . . .
C21_5 C 0.59980(7) 0.07453(4) 0.31526(3) 0.0142(2) Uani 1 1 d . . . . .
C22_5 C 0.60631(7) 0.04325(4) 0.29022(3) 0.0153(2) Uani 1 1 d . . . . .
H22_5 H 0.5640 0.0316 0.2812 0.018 Uiso 1 1 calc R U . . .
C23_5 C 0.87714(7) 0.09183(5) 0.32772(3) 0.0198(2) Uani 1 1 d . . . . .
H23_5 H 0.8446 0.0787 0.3429 0.024 Uiso 1 1 calc R U . . .
C24_5 C 0.89180(9) 0.13615(5) 0.34073(4) 0.0280(3) Uani 1 1 d . . . . .
H24A_5 H 0.9280 0.1493 0.3282 0.042 Uiso 1 1 calc R U . . .
H24B_5 H 0.9084 0.1346 0.3632 0.042 Uiso 1 1 calc R U . . .
H24C_5 H 0.8483 0.1524 0.3390 0.042 Uiso 1 1 calc R U . . .
C25_5 C 0.94452(7) 0.06281(6) 0.32720(4) 0.0255(3) Uani 1 1 d . . . . .
C26_5 C 1.00530(8) 0.08100(6) 0.30799(4) 0.0314(3) Uani 1 1 d . . . . .
H26A_5 H 1.0458 0.0622 0.3094 0.047 Uiso 1 1 calc R U . . .
H26B_5 H 1.0192 0.1079 0.3169 0.047 Uiso 1 1 calc R U . . .
H26C_5 H 0.9894 0.0844 0.2855 0.047 Uiso 1 1 calc R U . . .
C27_5 C 0.92255(12) 0.01997(6) 0.31232(8) 0.0625(8) Uani 1 1 d . . . . .
H27A_5 H 0.9065 0.0238 0.2899 0.094 Uiso 1 1 calc R U . . .
H27B_5 H 0.8842 0.0081 0.3243 0.094 Uiso 1 1 calc R U . . .
H27C_5 H 0.9632 0.0013 0.3134 0.094 Uiso 1 1 calc R U . . .
C28_5 C 0.97327(11) 0.05599(10) 0.36235(5) 0.0657(8) Uani 1 1 d . . . . .
H28A_5 H 1.0114 0.0355 0.3626 0.098 Uiso 1 1 calc R U . . .
H28B_5 H 0.9351 0.0460 0.3754 0.098 Uiso 1 1 calc R U . . .
H28C_5 H 0.9914 0.0822 0.3711 0.098 Uiso 1 1 calc R U . . .
C29_5 C 0.66698(7) -0.00921(4) 0.25935(3) 0.0160(2) Uani 1 1 d . . . . .
H29_5 H 0.7135 -0.0098 0.2490 0.019 Uiso 1 1 calc R U . . .
C30_5 C 0.60950(9) -0.00849(5) 0.23141(4) 0.0241(3) Uani 1 1 d . . . . .
H30A_5 H 0.5626 -0.0103 0.2402 0.036 Uiso 1 1 calc R U . . .
H30B_5 H 0.6166 -0.0320 0.2172 0.036 Uiso 1 1 calc R U . . .
H30C_5 H 0.6133 0.0173 0.2193 0.036 Uiso 1 1 calc R U . . .
C31_5 C 0.66571(8) -0.04894(4) 0.28172(4) 0.0201(3) Uani 1 1 d . . . . .
C32_5 C 0.73409(10) -0.04876(5) 0.30418(4) 0.0319(3) Uani 1 1 d . . . . .
H32A_5 H 0.7360 -0.0741 0.3170 0.048 Uiso 1 1 calc R U . . .
H32B_5 H 0.7333 -0.0248 0.3184 0.048 Uiso 1 1 calc R U . . .
H32C_5 H 0.7757 -0.0473 0.2912 0.048 Uiso 1 1 calc R U . . .
C33_5 C 0.66693(9) -0.08824(5) 0.25983(4) 0.0276(3) Uani 1 1 d . . . . .
H33A_5 H 0.7036 -0.0851 0.2442 0.041 Uiso 1 1 calc R U . . .
H33B_5 H 0.6209 -0.0915 0.2485 0.041 Uiso 1 1 calc R U . . .
H33C_5 H 0.6771 -0.1127 0.2731 0.041 Uiso 1 1 calc R U . . .
C34_5 C 0.59974(10) -0.05134(5) 0.30262(4) 0.0287(3) Uani 1 1 d . . . . .
H34A_5 H 0.6000 -0.0777 0.3142 0.043 Uiso 1 1 calc R U . . .
H34B_5 H 0.5568 -0.0494 0.2888 0.043 Uiso 1 1 calc R U . . .
H34C_5 H 0.6009 -0.0285 0.3180 0.043 Uiso 1 1 calc R U . . .
Ni6_6 Ni 0.75306(2) 0.30661(2) 0.28356(2) 0.01398(4) Uani 1 1 d . . . . .
O11_6 O 0.77249(6) 0.29479(3) 0.24053(2) 0.01940(19) Uani 1 1 d . . . . .
O12_6 O 0.73064(6) 0.32045(4) 0.32593(2) 0.0200(2) Uani 1 1 d . . . . .
N11_6 N 0.83851(6) 0.33956(4) 0.28802(3) 0.0163(2) Uani 1 1 d . . . . .
N12_6 N 0.66601(6) 0.27655(4) 0.27722(3) 0.0148(2) Uani 1 1 d . . . . .
C1_6 C 0.79129(7) 0.32471(4) 0.22097(3) 0.0171(2) Uani 1 1 d . . . . .
C2_6 C 0.77618(8) 0.31862(5) 0.18644(3) 0.0216(3) Uani 1 1 d . . . . .
H2_6 H 0.7566 0.2932 0.1790 0.026 Uiso 1 1 calc R U . . .
C3_6 C 0.79029(8) 0.34963(5) 0.16473(3) 0.0245(3) Uani 1 1 d . . . . .
H3_6 H 0.7801 0.3449 0.1426 0.029 Uiso 1 1 calc R U . . .
C4_6 C 0.82031(8) 0.38915(5) 0.17490(3) 0.0232(3) Uani 1 1 d . . . . .
C5_6 C 0.82951(10) 0.42226(6) 0.15254(4) 0.0325(4) Uani 1 1 d . . . . .
H5_6 H 0.8163 0.4183 0.1306 0.039 Uiso 1 1 calc R U . . .
C6_6 C 0.85769(11) 0.46027(6) 0.16263(4) 0.0381(4) Uani 1 1 d . . . . .
H6_6 H 0.8640 0.4818 0.1476 0.046 Uiso 1 1 calc R U . . .
C7_6 C 0.87703(11) 0.46656(5) 0.19592(4) 0.0348(4) Uani 1 1 d . . . . .
H7_6 H 0.8959 0.4924 0.2028 0.042 Uiso 1 1 calc R U . . .
C8_6 C 0.86823(9) 0.43473(5) 0.21831(4) 0.0262(3) Uani 1 1 d . . . . .
H8_6 H 0.8813 0.4394 0.2402 0.031 Uiso 1 1 calc R U . . .
C9_6 C 0.83969(7) 0.39507(5) 0.20870(3) 0.0191(2) Uani 1 1 d . . . . .
C10_6 C 0.82697(7) 0.36176(4) 0.23132(3) 0.0162(2) Uani 1 1 d . . . . .
C11_6 C 0.85771(7) 0.36321(4) 0.26414(3) 0.0170(2) Uani 1 1 d . . . . .
H11_6 H 0.8943 0.3827 0.2686 0.020 Uiso 1 1 calc R U . . .
C12_6 C 0.66552(8) 0.33133(4) 0.33355(3) 0.0183(2) Uani 1 1 d . . . . .
C13_6 C 0.65773(9) 0.35363(5) 0.36356(3) 0.0247(3) Uani 1 1 d . . . . .
H13_6 H 0.6983 0.3588 0.3771 0.030 Uiso 1 1 calc R U . . .
C14_6 C 0.59204(10) 0.36743(5) 0.37277(4) 0.0265(3) Uani 1 1 d . . . . .
H14_6 H 0.5887 0.3815 0.3926 0.032 Uiso 1 1 calc R U . . .
C15_6 C 0.52835(9) 0.36085(4) 0.35272(4) 0.0231(3) Uani 1 1 d . . . . .
C16_6 C 0.46100(10) 0.37689(5) 0.36182(4) 0.0300(3) Uani 1 1 d . . . . .
H16_6 H 0.4581 0.3918 0.3813 0.036 Uiso 1 1 calc R U . . .
C17_6 C 0.39972(10) 0.37077(5) 0.34224(5) 0.0325(4) Uani 1 1 d . . . . .
H17_6 H 0.3555 0.3809 0.3486 0.039 Uiso 1 1 calc R U . . .
C18_6 C 0.40483(9) 0.34899(5) 0.31249(4) 0.0282(3) Uani 1 1 d . . . . .
H18_6 H 0.3637 0.3450 0.2991 0.034 Uiso 1 1 calc R U . . .
C19_6 C 0.47018(8) 0.33351(5) 0.30302(4) 0.0222(3) Uani 1 1 d . . . . .
H19_6 H 0.4726 0.3197 0.2831 0.027 Uiso 1 1 calc R U . . .
C20_6 C 0.53371(8) 0.33823(4) 0.32313(3) 0.0187(2) Uani 1 1 d . . . . .
C21_6 C 0.60284(8) 0.32191(4) 0.31425(3) 0.0168(2) Uani 1 1 d . . . . .
C22_6 C 0.60689(7) 0.29049(4) 0.28913(3) 0.0158(2) Uani 1 1 d . . . . .
H22_6 H 0.5637 0.2792 0.2807 0.019 Uiso 1 1 calc R U . . .
C23_6 C 0.88448(8) 0.33893(5) 0.31856(3) 0.0206(3) Uani 1 1 d . . . . .
H23_6 H 0.8528 0.3318 0.3362 0.025 Uiso 1 1 calc R U . . .
C24_6 C 0.91726(11) 0.38202(6) 0.32702(4) 0.0374(4) Uani 1 1 d . . . . .
H24A_6 H 0.9560 0.3877 0.3129 0.056 Uiso 1 1 calc R U . . .
H24B_6 H 0.9354 0.3820 0.3493 0.056 Uiso 1 1 calc R U . . .
H24C_6 H 0.8810 0.4034 0.3241 0.056 Uiso 1 1 calc R U . . .
C25_6 C 0.94085(9) 0.30276(6) 0.31722(4) 0.0278(3) Uani 1 1 d . . . . .
C26_6 C 0.98982(10) 0.30783(7) 0.28836(4) 0.0423(5) Uani 1 1 d . . . . .
H26A_6 H 1.0248 0.2855 0.2888 0.063 Uiso 1 1 calc R U . . .
H26B_6 H 1.0140 0.3345 0.2899 0.063 Uiso 1 1 calc R U . . .
H26C_6 H 0.9613 0.3066 0.2683 0.063 Uiso 1 1 calc R U . . .
C27_6 C 0.90239(11) 0.26032(6) 0.31389(5) 0.0365(4) Uani 1 1 d . . . . .
H27A_6 H 0.8735 0.2598 0.2939 0.055 Uiso 1 1 calc R U . . .
H27B_6 H 0.8720 0.2564 0.3320 0.055 Uiso 1 1 calc R U . . .
H27C_6 H 0.9374 0.2381 0.3137 0.055 Uiso 1 1 calc R U . . .
C28_6 C 0.98726(11) 0.30233(8) 0.34922(4) 0.0426(5) Uani 1 1 d . . . . .
H28A_6 H 1.0163 0.2773 0.3501 0.064 Uiso 1 1 calc R U . . .
H28B_6 H 0.9565 0.3028 0.3675 0.064 Uiso 1 1 calc R U . . .
H28C_6 H 1.0180 0.3267 0.3500 0.064 Uiso 1 1 calc R U . . .
C29_6 C 0.66319(7) 0.23717(4) 0.25740(3) 0.0155(2) Uani 1 1 d . . . . .
H29_6 H 0.7098 0.2352 0.2472 0.019 Uiso 1 1 calc R U . . .
C30_6 C 0.60632(9) 0.23972(5) 0.22921(3) 0.0226(3) Uani 1 1 d . . . . .
H30A_6 H 0.5591 0.2391 0.2378 0.034 Uiso 1 1 calc R U . . .
H30B_6 H 0.6119 0.2162 0.2148 0.034 Uiso 1 1 calc R U . . .
H30C_6 H 0.6124 0.2655 0.2174 0.034 Uiso 1 1 calc R U . . .
C31_6 C 0.65793(8) 0.19745(4) 0.27934(3) 0.0179(2) Uani 1 1 d . . . . .
C32_6 C 0.65949(9) 0.15844(5) 0.25720(4) 0.0246(3) Uani 1 1 d . . . . .
H32A_6 H 0.6976 0.1613 0.2423 0.037 Uiso 1 1 calc R U . . .
H32B_6 H 0.6142 0.1559 0.2451 0.037 Uiso 1 1 calc R U . . .
H32C_6 H 0.6677 0.1337 0.2704 0.037 Uiso 1 1 calc R U . . .
C33_6 C 0.58975(9) 0.19566(5) 0.29900(4) 0.0253(3) Uani 1 1 d . . . . .
H33A_6 H 0.5879 0.1692 0.3103 0.038 Uiso 1 1 calc R U . . .
H33B_6 H 0.5481 0.1984 0.2844 0.038 Uiso 1 1 calc R U . . .
H33C_6 H 0.5905 0.2183 0.3146 0.038 Uiso 1 1 calc R U . . .
C34_6 C 0.72418(9) 0.19623(5) 0.30307(4) 0.0292(3) Uani 1 1 d . . . . .
H34A_6 H 0.7227 0.1712 0.3162 0.044 Uiso 1 1 calc R U . . .
H34B_6 H 0.7241 0.2206 0.3170 0.044 Uiso 1 1 calc R U . . .
H34C_6 H 0.7672 0.1962 0.2909 0.044 Uiso 1 1 calc R U . . .
Ni7_7 Ni 0.76710(2) 0.55991(2) 0.28795(2) 0.01656(4) Uani 1 1 d . . . . .
O13_7 O 0.78777(6) 0.54581(3) 0.24551(3) 0.0229(2) Uani 1 1 d . . . . .
O14_7 O 0.74608(6) 0.57430(4) 0.33028(2) 0.0232(2) Uani 1 1 d . . . . .
N13_7 N 0.84855(6) 0.59610(4) 0.29099(3) 0.0195(2) Uani 1 1 d . . . . .
N14_7 N 0.68016(7) 0.52921(4) 0.28265(3) 0.0169(2) Uani 1 1 d . . . . .
C1_7 C 0.80300(8) 0.57504(4) 0.22459(3) 0.0185(2) Uani 1 1 d . . . . .
C2_7 C 0.78864(8) 0.56621(5) 0.19048(3) 0.0232(3) Uani 1 1 d . . . . .
H2_7 H 0.7718 0.5397 0.1841 0.028 Uiso 1 1 calc R U . . .
C3_7 C 0.79941(9) 0.59615(5) 0.16735(3) 0.0251(3) Uani 1 1 d . . . . .
H3_7 H 0.7899 0.5896 0.1455 0.030 Uiso 1 1 calc R U . . .
C4_7 C 0.82498(8) 0.63736(5) 0.17589(3) 0.0219(3) Uani 1 1 d . . . . .
C5_7 C 0.83072(9) 0.66914(6) 0.15203(4) 0.0294(3) Uani 1 1 d . . . . .
H5_7 H 0.8190 0.6630 0.1302 0.035 Uiso 1 1 calc R U . . .
C6_7 C 0.85334(10) 0.70904(6) 0.16056(4) 0.0319(3) Uani 1 1 d . . . . .
H6_7 H 0.8575 0.7297 0.1446 0.038 Uiso 1 1 calc R U . . .
C7_7 C 0.87015(9) 0.71847(5) 0.19353(4) 0.0285(3) Uani 1 1 d . . . . .
H7_7 H 0.8849 0.7456 0.1994 0.034 Uiso 1 1 calc R U . . .
C8_7 C 0.86500(8) 0.68790(5) 0.21736(4) 0.0232(3) Uani 1 1 d . . . . .
H8_7 H 0.8763 0.6948 0.2391 0.028 Uiso 1 1 calc R U . . .
C9_7 C 0.84288(7) 0.64633(4) 0.20931(3) 0.0180(2) Uani 1 1 d . . . . .
C10_7 C 0.83394(7) 0.61410(4) 0.23339(3) 0.0169(2) Uani 1 1 d . . . . .
C11_7 C 0.86423(7) 0.61913(5) 0.26609(3) 0.0186(2) Uani 1 1 d . . . . .
H11_7 H 0.8977 0.6406 0.2697 0.022 Uiso 1 1 calc R U . . .
C12_7 C 0.68142(8) 0.58575(5) 0.33803(3) 0.0203(3) Uani 1 1 d . . . . .
C13_7 C 0.67503(9) 0.60931(5) 0.36774(4) 0.0273(3) Uani 1 1 d . . . . .
H13_7 H 0.7161 0.6150 0.3808 0.033 Uiso 1 1 calc R U . . .
C14_7 C 0.60982(10) 0.62349(5) 0.37708(4) 0.0289(3) Uani 1 1 d . . . . .
H14_7 H 0.6071 0.6383 0.3966 0.035 Uiso 1 1 calc R U . . .
C15_7 C 0.54560(9) 0.61609(5) 0.35755(4) 0.0251(3) Uani 1 1 d . . . . .
C16_7 C 0.47828(10) 0.63256(5) 0.36671(4) 0.0322(4) Uani 1 1 d . . . . .
H16_7 H 0.4758 0.6478 0.3860 0.039 Uiso 1 1 calc R U . . .
C17_7 C 0.41705(10) 0.62630(6) 0.34747(5) 0.0363(4) Uani 1 1 d . . . . .
H17_7 H 0.3731 0.6368 0.3539 0.044 Uiso 1 1 calc R U . . .
C18_7 C 0.42110(9) 0.60395(5) 0.31798(5) 0.0295(3) Uani 1 1 d . . . . .
H18_7 H 0.3797 0.6000 0.3048 0.035 Uiso 1 1 calc R U . . .
C19_7 C 0.48589(8) 0.58779(5) 0.30845(4) 0.0230(3) Uani 1 1 d . . . . .
H19_7 H 0.4876 0.5735 0.2887 0.028 Uiso 1 1 calc R U . . .
C20_7 C 0.54982(8) 0.59262(4) 0.32823(3) 0.0194(3) Uani 1 1 d . . . . .
C21_7 C 0.61822(8) 0.57568(4) 0.31936(3) 0.0176(2) Uani 1 1 d . . . . .
C22_7 C 0.62193(7) 0.54366(4) 0.29480(3) 0.0169(2) Uani 1 1 d . . . . .
H22_7 H 0.5785 0.5322 0.2869 0.020 Uiso 1 1 calc R U . . .
C23_7 C 0.89409(9) 0.60028(6) 0.32150(4) 0.0303(3) Uani 1 1 d . . . . .
H23_7 H 0.8640 0.5917 0.3394 0.036 Uiso 1 1 calc R U . . .
C24_7 C 0.91711(14) 0.64620(8) 0.32865(5) 0.0532(6) Uani 1 1 d . . . . .
H24A_7 H 0.9567 0.6535 0.3154 0.080 Uiso 1 1 calc R U . . .
H24B_7 H 0.9317 0.6489 0.3513 0.080 Uiso 1 1 calc R U . . .
H24C_7 H 0.8773 0.6647 0.3236 0.080 Uiso 1 1 calc R U . . .
C25_7 C 0.95760(9) 0.56868(8) 0.32146(5) 0.0450(6) Uani 1 1 d . . . . .
C26_7 C 1.00466(12) 0.57600(10) 0.29267(6) 0.0744(10) Uani 1 1 d . . . . .
H26A_7 H 1.0496 0.5614 0.2963 0.112 Uiso 1 1 calc R U . . .
H26B_7 H 1.0136 0.6056 0.2904 0.112 Uiso 1 1 calc R U . . .
H26C_7 H 0.9806 0.5656 0.2731 0.112 Uiso 1 1 calc R U . . .
C27_7 C 1.00464(13) 0.57385(12) 0.35278(6) 0.0820(11) Uani 1 1 d . . . . .
H27A_7 H 1.0410 0.5523 0.3537 0.123 Uiso 1 1 calc R U . . .
H27B_7 H 0.9752 0.5714 0.3714 0.123 Uiso 1 1 calc R U . . .
H27C_7 H 1.0272 0.6011 0.3529 0.123 Uiso 1 1 calc R U . . .
C28_7 C 0.92734(14) 0.52388(8) 0.32112(7) 0.0651(8) Uani 1 1 d . . . . .
H28A_7 H 0.9029 0.5185 0.3004 0.098 Uiso 1 1 calc R U . . .
H28B_7 H 0.8940 0.5209 0.3382 0.098 Uiso 1 1 calc R U . . .
H28C_7 H 0.9661 0.5041 0.3245 0.098 Uiso 1 1 calc R U . . .
C29_7 C 0.67592(8) 0.48996(4) 0.26283(3) 0.0173(2) Uani 1 1 d . . . . .
H29_7 H 0.7223 0.4876 0.2525 0.021 Uiso 1 1 calc R U . . .
C30_7 C 0.61893(9) 0.49321(5) 0.23486(4) 0.0265(3) Uani 1 1 d . . . . .
H30A_7 H 0.5718 0.4930 0.2436 0.040 Uiso 1 1 calc R U . . .
H30B_7 H 0.6236 0.4697 0.2203 0.040 Uiso 1 1 calc R U . . .
H30C_7 H 0.6256 0.5190 0.2231 0.040 Uiso 1 1 calc R U . . .
C31_7 C 0.67022(9) 0.45020(5) 0.28476(4) 0.0234(3) Uani 1 1 d . . . . .
C32_7 C 0.73662(11) 0.44869(6) 0.30828(5) 0.0384(4) Uani 1 1 d . . . . .
H32A_7 H 0.7358 0.4723 0.3229 0.058 Uiso 1 1 calc R U . . .
H32B_7 H 0.7795 0.4498 0.2960 0.058 Uiso 1 1 calc R U . . .
H32C_7 H 0.7362 0.4230 0.3207 0.058 Uiso 1 1 calc R U . . .
C33_7 C 0.67134(11) 0.41129(5) 0.26244(5) 0.0335(4) Uani 1 1 d . . . . .
H33A_7 H 0.6793 0.3864 0.2755 0.050 Uiso 1 1 calc R U . . .
H33B_7 H 0.7094 0.4142 0.2475 0.050 Uiso 1 1 calc R U . . .
H33C_7 H 0.6260 0.4090 0.2504 0.050 Uiso 1 1 calc R U . . .
C34_7 C 0.60193(10) 0.44840(5) 0.30432(4) 0.0316(4) Uani 1 1 d . . . . .
H34A_7 H 0.5998 0.4218 0.3154 0.047 Uiso 1 1 calc R U . . .
H34B_7 H 0.5604 0.4514 0.2897 0.047 Uiso 1 1 calc R U . . .
H34C_7 H 0.6028 0.4709 0.3200 0.047 Uiso 1 1 calc R U . . .
Ni8_8 Ni 0.76457(2) 0.80980(2) 0.28411(2) 0.01311(3) Uani 1 1 d . . . . .
O15_8 O 0.78442(6) 0.79622(3) 0.24132(2) 0.01706(18) Uani 1 1 d . . . . .
O16_8 O 0.74520(6) 0.82433(4) 0.32670(2) 0.01963(19) Uani 1 1 d . . . . .
N15_8 N 0.84706(6) 0.84515(4) 0.28662(3) 0.0154(2) Uani 1 1 d . . . . .
N16_8 N 0.67741(6) 0.77968(4) 0.27912(3) 0.01474(19) Uani 1 1 d . . . . .
C1_8 C 0.79531(7) 0.82694(4) 0.22089(3) 0.0150(2) Uani 1 1 d . . . . .
C2_8 C 0.77668(8) 0.81988(5) 0.18687(3) 0.0182(2) Uani 1 1 d . . . . .
H2_8 H 0.7614 0.7933 0.1799 0.022 Uiso 1 1 calc R U . . .
C3_8 C 0.78118(8) 0.85174(5) 0.16471(3) 0.0200(3) Uani 1 1 d . . . . .
H3_8 H 0.7685 0.8465 0.1429 0.024 Uiso 1 1 calc R U . . .
C4_8 C 0.80491(7) 0.89300(5) 0.17417(3) 0.0178(2) Uani 1 1 d . . . . .
C5_8 C 0.80233(8) 0.92702(5) 0.15191(3) 0.0228(3) Uani 1 1 d . . . . .
H5_8 H 0.7862 0.9225 0.1304 0.027 Uiso 1 1 calc R U . . .
C6_8 C 0.82336(8) 0.96679(5) 0.16168(4) 0.0247(3) Uani 1 1 d . . . . .
H6_8 H 0.8216 0.9890 0.1468 0.030 Uiso 1 1 calc R U . . .
C7_8 C 0.84758(8) 0.97390(5) 0.19433(4) 0.0222(3) Uani 1 1 d . . . . .
H7_8 H 0.8616 1.0008 0.2010 0.027 Uiso 1 1 calc R U . . .
C8_8 C 0.85061(8) 0.94123(5) 0.21641(3) 0.0195(2) Uani 1 1 d . . . . .
H8_8 H 0.8671 0.9464 0.2378 0.023 Uiso 1 1 calc R U . . .
C9_8 C 0.82917(7) 0.89988(4) 0.20729(3) 0.0158(2) Uani 1 1 d . . . . .
C10_8 C 0.82607(7) 0.86583(4) 0.23011(3) 0.0142(2) Uani 1 1 d . . . . .
C11_8 C 0.86068(7) 0.86927(4) 0.26222(3) 0.0160(2) Uani 1 1 d . . . . .
H11_8 H 0.8951 0.8903 0.2656 0.019 Uiso 1 1 calc R U . . .
C12_8 C 0.68072(8) 0.83495(4) 0.33536(3) 0.0177(2) Uani 1 1 d . . . . .
C13_8 C 0.67527(9) 0.85719(5) 0.36567(3) 0.0243(3) Uani 1 1 d . . . . .
H13_8 H 0.7168 0.8627 0.3785 0.029 Uiso 1 1 calc R U . . .
C14_8 C 0.61022(9) 0.87046(5) 0.37606(4) 0.0257(3) Uani 1 1 d . . . . .
H14_8 H 0.6081 0.8841 0.3961 0.031 Uiso 1 1 calc R U . . .
C15_8 C 0.54534(9) 0.86376(5) 0.35672(4) 0.0226(3) Uani 1 1 d . . . . .
C16_8 C 0.47845(10) 0.87968(5) 0.36680(4) 0.0295(3) Uani 1 1 d . . . . .
H16_8 H 0.4764 0.8939 0.3866 0.035 Uiso 1 1 calc R U . . .
C17_8 C 0.41665(10) 0.87428(5) 0.34754(5) 0.0334(4) Uani 1 1 d . . . . .
H17_8 H 0.3729 0.8844 0.3545 0.040 Uiso 1 1 calc R U . . .
C18_8 C 0.41973(9) 0.85346(5) 0.31740(5) 0.0288(3) Uani 1 1 d . . . . .
H18_8 H 0.3780 0.8502 0.3043 0.035 Uiso 1 1 calc R U . . .
C19_8 C 0.48446(8) 0.83778(5) 0.30713(4) 0.0223(3) Uani 1 1 d . . . . .
H19_8 H 0.4858 0.8244 0.2870 0.027 Uiso 1 1 calc R U . . .
C20_8 C 0.54873(8) 0.84175(4) 0.32682(3) 0.0184(2) Uani 1 1 d . . . . .
C21_8 C 0.61696(7) 0.82525(4) 0.31701(3) 0.0162(2) Uani 1 1 d . . . . .
C22_8 C 0.61946(7) 0.79399(4) 0.29186(3) 0.0154(2) Uani 1 1 d . . . . .
H22_8 H 0.5757 0.7830 0.2839 0.018 Uiso 1 1 calc R U . . .
C23_8 C 0.89622(8) 0.84618(5) 0.31604(3) 0.0190(2) Uani 1 1 d . . . . .
H23_8 H 0.8673 0.8385 0.3346 0.023 Uiso 1 1 calc R U . . .
C24_8 C 0.92663(10) 0.89016(5) 0.32321(4) 0.0319(3) Uani 1 1 d . . . . .
H24A_8 H 0.9622 0.8968 0.3077 0.048 Uiso 1 1 calc R U . . .
H24B_8 H 0.9484 0.8908 0.3449 0.048 Uiso 1 1 calc R U . . .
H24C_8 H 0.8884 0.9105 0.3215 0.048 Uiso 1 1 calc R U . . .
C25_8 C 0.95485(8) 0.81143(5) 0.31340(3) 0.0221(3) Uani 1 1 d . . . . .
C26_8 C 0.99704(9) 0.81593(7) 0.28234(4) 0.0366(4) Uani 1 1 d . . . . .
H26A_8 H 1.0175 0.8437 0.2815 0.055 Uiso 1 1 calc R U . . .
H26B_8 H 0.9652 0.8116 0.2635 0.055 Uiso 1 1 calc R U . . .
H26C_8 H 1.0349 0.7953 0.2825 0.055 Uiso 1 1 calc R U . . .
C27_8 C 0.91935(10) 0.76760(5) 0.31304(4) 0.0315(3) Uani 1 1 d . . . . .
H27A_8 H 0.8874 0.7651 0.2941 0.047 Uiso 1 1 calc R U . . .
H27B_8 H 0.8926 0.7641 0.3324 0.047 Uiso 1 1 calc R U . . .
H27C_8 H 0.9559 0.7463 0.3124 0.047 Uiso 1 1 calc R U . . .
C28_8 C 1.00724(9) 0.81388(6) 0.34316(4) 0.0334(4) Uani 1 1 d . . . . .
H28A_8 H 1.0387 0.7899 0.3434 0.050 Uiso 1 1 calc R U . . .
H28B_8 H 0.9806 0.8141 0.3627 0.050 Uiso 1 1 calc R U . . .
H28C_8 H 1.0353 0.8392 0.3421 0.050 Uiso 1 1 calc R U . . .
C29_8 C 0.67243(7) 0.74067(4) 0.25911(3) 0.0159(2) Uani 1 1 d . . . . .
H29_8 H 0.7185 0.7384 0.2484 0.019 Uiso 1 1 calc R U . . .
C30_8 C 0.61470(8) 0.74430(5) 0.23143(4) 0.0230(3) Uani 1 1 d . . . . .
H30A_8 H 0.5678 0.7443 0.2404 0.035 Uiso 1 1 calc R U . . .
H30B_8 H 0.6186 0.7208 0.2168 0.035 Uiso 1 1 calc R U . . .
H30C_8 H 0.6214 0.7701 0.2197 0.035 Uiso 1 1 calc R U . . .
C31_8 C 0.66754(8) 0.70078(4) 0.28094(4) 0.0203(3) Uani 1 1 d . . . . .
C32_8 C 0.66813(10) 0.66194(5) 0.25857(4) 0.0291(3) Uani 1 1 d . . . . .
H32A_8 H 0.6745 0.6370 0.2716 0.044 Uiso 1 1 calc R U . . .
H32B_8 H 0.7070 0.6643 0.2440 0.044 Uiso 1 1 calc R U . . .
H32C_8 H 0.6232 0.6603 0.2461 0.044 Uiso 1 1 calc R U . . .
C33_8 C 0.59983(10) 0.69883(5) 0.30094(4) 0.0301(3) Uani 1 1 d . . . . .
H33A_8 H 0.5579 0.7018 0.2866 0.045 Uiso 1 1 calc R U . . .
H33B_8 H 0.6011 0.7212 0.3167 0.045 Uiso 1 1 calc R U . . .
H33C_8 H 0.5981 0.6722 0.3120 0.045 Uiso 1 1 calc R U . . .
C34_8 C 0.73468(10) 0.69923(6) 0.30409(5) 0.0328(4) Uani 1 1 d . . . . .
H34A_8 H 0.7344 0.6736 0.3166 0.049 Uiso 1 1 calc R U . . .
H34B_8 H 0.7345 0.7230 0.3186 0.049 Uiso 1 1 calc R U . . .
H34C_8 H 0.7771 0.7001 0.2916 0.049 Uiso 1 1 calc R U . . .
Ni9_9 Ni 0.24075(2) 0.05449(2) 0.21806(2) 0.01345(3) Uani 1 1 d . . . . .
O17_9 O 0.25824(6) 0.06896(3) 0.17521(2) 0.0196(2) Uani 1 1 d . . . . .
O18_9 O 0.22523(6) 0.04127(3) 0.26127(2) 0.01788(18) Uani 1 1 d . . . . .
N17_9 N 0.32850(6) 0.02469(4) 0.22218(3) 0.0147(2) Uani 1 1 d . . . . .
N18_9 N 0.15623(6) 0.08808(4) 0.21608(3) 0.0159(2) Uani 1 1 d . . . . .
C1_9 C 0.32207(8) 0.08024(4) 0.16624(3) 0.0175(2) Uani 1 1 d . . . . .
C2_9 C 0.32632(9) 0.10246(5) 0.13583(3) 0.0241(3) Uani 1 1 d . . . . .
H2_9 H 0.2845 0.1073 0.1231 0.029 Uiso 1 1 calc R U . . .
C3_9 C 0.39089(9) 0.11666(5) 0.12532(4) 0.0254(3) Uani 1 1 d . . . . .
H3_9 H 0.3922 0.1305 0.1053 0.031 Uiso 1 1 calc R U . . .
C4_9 C 0.45621(9) 0.11075(4) 0.14428(4) 0.0219(3) Uani 1 1 d . . . . .
C5_9 C 0.52244(10) 0.12728(5) 0.13395(4) 0.0294(3) Uani 1 1 d . . . . .
H5_9 H 0.5236 0.1416 0.1142 0.035 Uiso 1 1 calc R U . . .
C6_9 C 0.58484(10) 0.12237(5) 0.15285(5) 0.0323(4) Uani 1 1 d . . . . .
H6_9 H 0.6281 0.1330 0.1457 0.039 Uiso 1 1 calc R U . . .
C7_9 C 0.58307(9) 0.10129(5) 0.18295(4) 0.0279(3) Uani 1 1 d . . . . .
H7_9 H 0.6252 0.0983 0.1959 0.033 Uiso 1 1 calc R U . . .
C8_9 C 0.51896(8) 0.08500(5) 0.19353(4) 0.0218(3) Uani 1 1 d . . . . .
H8_9 H 0.5185 0.0715 0.2137 0.026 Uiso 1 1 calc R U . . .
C9_9 C 0.45414(8) 0.08851(4) 0.17421(3) 0.0182(2) Uani 1 1 d . . . . .
C10_9 C 0.38658(7) 0.07137(4) 0.18434(3) 0.0160(2) Uani 1 1 d . . . . .
C11_9 C 0.38577(7) 0.03960(4) 0.20929(3) 0.0156(2) Uani 1 1 d . . . . .
H11_9 H 0.4300 0.0288 0.2169 0.019 Uiso 1 1 calc R U . . .
C12_9 C 0.20913(7) 0.07065(4) 0.28186(3) 0.0153(2) Uani 1 1 d . . . . .
C13_9 C 0.22637(7) 0.06329(5) 0.31600(3) 0.0194(2) Uani 1 1 d . . . . .
H13_9 H 0.2451 0.0373 0.3227 0.023 Uiso 1 1 calc R U . . .
C14_9 C 0.21558(8) 0.09375(5) 0.33863(3) 0.0219(3) Uani 1 1 d . . . . .
H14_9 H 0.2271 0.0881 0.3605 0.026 Uiso 1 1 calc R U . . .
C15_9 C 0.18711(8) 0.13416(5) 0.32970(3) 0.0200(3) Uani 1 1 d . . . . .
C16_9 C 0.18217(9) 0.16685(6) 0.35270(4) 0.0279(3) Uani 1 1 d . . . . .
H16_9 H 0.1968 0.1620 0.3744 0.034 Uiso 1 1 calc R U . . .
C17_9 C 0.15612(10) 0.20584(6) 0.34361(4) 0.0344(4) Uani 1 1 d . . . . .
H17_9 H 0.1529 0.2272 0.3590 0.041 Uiso 1 1 calc R U . . .
C18_9 C 0.13437(10) 0.21329(5) 0.31074(4) 0.0323(4) Uani 1 1 d . . . . .
H18_9 H 0.1166 0.2397 0.3046 0.039 Uiso 1 1 calc R U . . .
C19_9 C 0.13916(8) 0.18198(5) 0.28772(4) 0.0237(3) Uani 1 1 d . . . . .
H19_9 H 0.1250 0.1876 0.2661 0.028 Uiso 1 1 calc R U . . .
C20_9 C 0.16524(7) 0.14127(4) 0.29632(3) 0.0171(2) Uani 1 1 d . . . . .
C21_9 C 0.17439(7) 0.10857(4) 0.27290(3) 0.0152(2) Uani 1 1 d . . . . .
C22_9 C 0.14048(7) 0.11139(4) 0.24065(3) 0.0167(2) Uani 1 1 d . . . . .
H22_9 H 0.1045 0.1315 0.2373 0.020 Uiso 1 1 calc R U . . .
C23_9 C 0.33423(7) -0.01495(4) 0.24142(3) 0.0158(2) Uani 1 1 d . . . . .
H23_9 H 0.2886 -0.0176 0.2524 0.019 Uiso 1 1 calc R U . . .
C24_9 C 0.39303(9) -0.01217(5) 0.26866(4) 0.0233(3) Uani 1 1 d . . . . .
H24A_9 H 0.4395 -0.0121 0.2593 0.035 Uiso 1 1 calc R U . . .
H24B_9 H 0.3894 -0.0360 0.2830 0.035 Uiso 1 1 calc R U . . .
H24C_9 H 0.3871 0.0134 0.2808 0.035 Uiso 1 1 calc R U . . .
C25_9 C 0.33869(8) -0.05407(4) 0.21881(4) 0.0202(3) Uani 1 1 d . . . . .
C26_9 C 0.40463(10) -0.05451(5) 0.19761(4) 0.0292(3) Uani 1 1 d . . . . .
H26A_9 H 0.4066 -0.0809 0.1861 0.044 Uiso 1 1 calc R U . . .
H26B_9 H 0.4476 -0.0512 0.2113 0.044 Uiso 1 1 calc R U . . .
H26C_9 H 0.4011 -0.0318 0.1822 0.044 Uiso 1 1 calc R U . . .
C27_9 C 0.27014(10) -0.05567(6) 0.19639(5) 0.0325(4) Uani 1 1 d . . . . .
H27A_9 H 0.2675 -0.0308 0.1830 0.049 Uiso 1 1 calc R U . . .
H27B_9 H 0.2286 -0.0571 0.2095 0.049 Uiso 1 1 calc R U . . .
H27C_9 H 0.2716 -0.0802 0.1827 0.049 Uiso 1 1 calc R U . . .
C28_9 C 0.34103(9) -0.09368(5) 0.24047(4) 0.0269(3) Uani 1 1 d . . . . .
H28A_9 H 0.3317 -0.1182 0.2272 0.040 Uiso 1 1 calc R U . . .
H28B_9 H 0.3051 -0.0915 0.2565 0.040 Uiso 1 1 calc R U . . .
H28C_9 H 0.3878 -0.0961 0.2513 0.040 Uiso 1 1 calc R U . . .
C29_9 C 0.10660(7) 0.08859(5) 0.18672(3) 0.0189(2) Uani 1 1 d . . . . .
H29_9 H 0.1357 0.0816 0.1681 0.023 Uiso 1 1 calc R U . . .
C30_9 C 0.07405(10) 0.13217(5) 0.17973(4) 0.0308(3) Uani 1 1 d . . . . .
H30A_9 H 0.0362 0.1374 0.1944 0.046 Uiso 1 1 calc R U . . .
H30B_9 H 0.0548 0.1331 0.1576 0.046 Uiso 1 1 calc R U . . .
H30C_9 H 0.1107 0.1533 0.1828 0.046 Uiso 1 1 calc R U . . .
C31_9 C 0.04972(8) 0.05275(5) 0.18925(3) 0.0222(3) Uani 1 1 d . . . . .
C32_9 C 0.08751(9) 0.00975(5) 0.18961(4) 0.0289(3) Uani 1 1 d . . . . .
H32A_9 H 0.0521 -0.0123 0.1902 0.043 Uiso 1 1 calc R U . . .
H32B_9 H 0.1196 0.0078 0.2086 0.043 Uiso 1 1 calc R U . . .
H32C_9 H 0.1144 0.0068 0.1703 0.043 Uiso 1 1 calc R U . . .
C33_9 C -0.00269(9) 0.05477(6) 0.15932(3) 0.0312(3) Uani 1 1 d . . . . .
H33A_9 H -0.0342 0.0308 0.1593 0.047 Uiso 1 1 calc R U . . .
H33B_9 H 0.0240 0.0546 0.1398 0.047 Uiso 1 1 calc R U . . .
H33C_9 H -0.0307 0.0802 0.1601 0.047 Uiso 1 1 calc R U . . .
C34_9 C 0.00674(8) 0.05661(7) 0.22016(3) 0.0323(4) Uani 1 1 d . . . . .
H34A_9 H -0.0165 0.0836 0.2205 0.048 Uiso 1 1 calc R U . . .
H34B_9 H 0.0387 0.0539 0.2391 0.048 Uiso 1 1 calc R U . . .
H34C_9 H -0.0290 0.0347 0.2203 0.048 Uiso 1 1 calc R U . . .
Ni10_10 Ni 0.24176(2) 0.31152(2) 0.21255(2) 0.01329(3) Uani 1 1 d . . . . .
O19_10 O 0.26825(6) 0.32676(3) 0.17109(2) 0.01868(19) Uani 1 1 d . . . . .
O20_10 O 0.21686(6) 0.29754(3) 0.25451(2) 0.0200(2) Uani 1 1 d . . . . .
N19_10 N 0.32728(6) 0.27993(4) 0.21939(3) 0.0151(2) Uani 1 1 d . . . . .
N20_10 N 0.16001(6) 0.34714(4) 0.20758(3) 0.01507(19) Uani 1 1 d . . . . .
C1_10 C 0.33427(7) 0.33715(4) 0.16465(3) 0.0167(2) Uani 1 1 d . . . . .
C2_10 C 0.34486(8) 0.36042(5) 0.13537(3) 0.0220(3) Uani 1 1 d . . . . .
H2_10 H 0.3053 0.3668 0.1215 0.026 Uiso 1 1 calc R U . . .
C3_10 C 0.41179(9) 0.37352(5) 0.12728(4) 0.0233(3) Uani 1 1 d . . . . .
H3_10 H 0.4172 0.3880 0.1078 0.028 Uiso 1 1 calc R U . . .
C4_10 C 0.47367(8) 0.36536(4) 0.14826(3) 0.0200(3) Uani 1 1 d . . . . .
C5_10 C 0.54213(9) 0.38145(5) 0.14088(4) 0.0270(3) Uani 1 1 d . . . . .
H5_10 H 0.5473 0.3967 0.1217 0.032 Uiso 1 1 calc R U . . .
C6_10 C 0.60105(9) 0.37483(5) 0.16171(4) 0.0299(3) Uani 1 1 d . . . . .
H6_10 H 0.6460 0.3852 0.1565 0.036 Uiso 1 1 calc R U . . .
C7_10 C 0.59300(8) 0.35231(5) 0.19083(4) 0.0257(3) Uani 1 1 d . . . . .
H7_10 H 0.6327 0.3480 0.2050 0.031 Uiso 1 1 calc R U . . .
C8_10 C 0.52658(8) 0.33642(4) 0.19856(4) 0.0200(3) Uani 1 1 d . . . . .
H8_10 H 0.5221 0.3219 0.2181 0.024 Uiso 1 1 calc R U . . .
C9_10 C 0.46522(7) 0.34189(4) 0.17728(3) 0.0168(2) Uani 1 1 d . . . . .
C10_10 C 0.39507(7) 0.32583(4) 0.18456(3) 0.0149(2) Uani 1 1 d . . . . .
C11_10 C 0.38766(7) 0.29342(4) 0.20858(3) 0.0156(2) Uani 1 1 d . . . . .
H11_10 H 0.4297 0.2810 0.2171 0.019 Uiso 1 1 calc R U . . .
C12_10 C 0.19890(7) 0.32685(4) 0.27490(3) 0.0167(2) Uani 1 1 d . . . . .
C13_10 C 0.21119(8) 0.31870(5) 0.30925(3) 0.0226(3) Uani 1 1 d . . . . .
H13_10 H 0.2290 0.2926 0.3161 0.027 Uiso 1 1 calc R U . . .
C14_10 C 0.19714(8) 0.34865(5) 0.33180(3) 0.0262(3) Uani 1 1 d . . . . .
H14_10 H 0.2055 0.3426 0.3538 0.031 Uiso 1 1 calc R U . . .
C15_10 C 0.16983(8) 0.38912(5) 0.32254(3) 0.0248(3) Uani 1 1 d . . . . .
C16_10 C 0.16041(11) 0.42116(6) 0.34597(4) 0.0370(4) Uani 1 1 d . . . . .
H16_10 H 0.1707 0.4155 0.3680 0.044 Uiso 1 1 calc R U . . .
C17_10 C 0.13641(13) 0.46029(7) 0.33680(5) 0.0474(5) Uani 1 1 d . . . . .
H17_10 H 0.1296 0.4809 0.3525 0.057 Uiso 1 1 calc R U . . .
C18_10 C 0.12205(13) 0.46925(6) 0.30346(5) 0.0464(5) Uani 1 1 d . . . . .
H18_10 H 0.1065 0.4960 0.2972 0.056 Uiso 1 1 calc R U . . .
C19_10 C 0.13084(10) 0.43863(5) 0.28014(4) 0.0328(4) Uani 1 1 d . . . . .
H19_10 H 0.1212 0.4451 0.2582 0.039 Uiso 1 1 calc R U . . .
C20_10 C 0.15420(8) 0.39761(5) 0.28884(3) 0.0201(3) Uani 1 1 d . . . . .
C21_10 C 0.16694(7) 0.36529(4) 0.26524(3) 0.0160(2) Uani 1 1 d . . . . .
C22_10 C 0.14046(7) 0.36992(4) 0.23190(3) 0.0165(2) Uani 1 1 d . . . . .
H22_10 H 0.1066 0.3910 0.2275 0.020 Uiso 1 1 calc R U . . .
C23_10 C 0.32685(7) 0.23968(4) 0.23805(3) 0.0158(2) Uani 1 1 d . . . . .
H23_10 H 0.2806 0.2389 0.2487 0.019 Uiso 1 1 calc R U . . .
C24_10 C 0.38500(9) 0.23856(5) 0.26569(4) 0.0259(3) Uani 1 1 d . . . . .
H24A_10 H 0.4317 0.2371 0.2566 0.039 Uiso 1 1 calc R U . . .
H24B_10 H 0.3779 0.2143 0.2791 0.039 Uiso 1 1 calc R U . . .
H24C_10 H 0.3819 0.2636 0.2787 0.039 Uiso 1 1 calc R U . . .
C25_10 C 0.32661(8) 0.20124(4) 0.21458(4) 0.0210(3) Uani 1 1 d . . . . .
C26_10 C 0.32126(10) 0.16106(5) 0.23531(4) 0.0313(4) Uani 1 1 d . . . . .
H26A_10 H 0.3098 0.1375 0.2213 0.047 Uiso 1 1 calc R U . . .
H26B_10 H 0.2841 0.1645 0.2507 0.047 Uiso 1 1 calc R U . . .
H26C_10 H 0.3665 0.1561 0.2469 0.047 Uiso 1 1 calc R U . . .
C27_10 C 0.39370(11) 0.19800(5) 0.19452(5) 0.0338(4) Uani 1 1 d . . . . .
H27A_10 H 0.4359 0.1984 0.2089 0.051 Uiso 1 1 calc R U . . .
H27B_10 H 0.3951 0.2214 0.1797 0.051 Uiso 1 1 calc R U . . .
H27C_10 H 0.3923 0.1722 0.1823 0.051 Uiso 1 1 calc R U . . .
C28_10 C 0.25968(12) 0.20357(6) 0.19152(5) 0.0404(4) Uani 1 1 d . . . . .
H28A_10 H 0.2623 0.2282 0.1781 0.061 Uiso 1 1 calc R U . . .
H28B_10 H 0.2174 0.2050 0.2041 0.061 Uiso 1 1 calc R U . . .
H28C_10 H 0.2574 0.1789 0.1779 0.061 Uiso 1 1 calc R U . . .
C29_10 C 0.11849(7) 0.35118(5) 0.17597(3) 0.0183(2) Uani 1 1 d . . . . .
H29_10 H 0.1501 0.3408 0.1592 0.022 Uiso 1 1 calc R U . . .
C30_10 C 0.10177(9) 0.39713(5) 0.16716(4) 0.0285(3) Uani 1 1 d . . . . .
H30A_10 H 0.0631 0.4071 0.1799 0.043 Uiso 1 1 calc R U . . .
H30B_10 H 0.0879 0.3991 0.1444 0.043 Uiso 1 1 calc R U . . .
H30C_10 H 0.1438 0.4141 0.1717 0.043 Uiso 1 1 calc R U . . .
C31_10 C 0.05149(8) 0.32158(5) 0.17472(3) 0.0207(3) Uani 1 1 d . . . . .
C32_10 C 0.07685(10) 0.27597(5) 0.17936(6) 0.0402(4) Uani 1 1 d . . . . .
H32A_10 H 0.0975 0.2725 0.2011 0.060 Uiso 1 1 calc R U . . .
H32B_10 H 0.1124 0.2696 0.1638 0.060 Uiso 1 1 calc R U . . .
H32C_10 H 0.0366 0.2573 0.1761 0.060 Uiso 1 1 calc R U . . .
C33_10 C 0.01219(10) 0.32563(7) 0.14116(4) 0.0371(4) Uani 1 1 d . . . . .
H33A_10 H 0.0454 0.3203 0.1243 0.056 Uiso 1 1 calc R U . . .
H33B_10 H -0.0070 0.3536 0.1387 0.056 Uiso 1 1 calc R U . . .
H33C_10 H -0.0264 0.3055 0.1395 0.056 Uiso 1 1 calc R U . . .
C34_10 C -0.00173(8) 0.33289(6) 0.20063(4) 0.0305(3) Uani 1 1 d . . . . .
H34A_10 H -0.0445 0.3162 0.1974 0.046 Uiso 1 1 calc R U . . .
H34B_10 H -0.0139 0.3622 0.1988 0.046 Uiso 1 1 calc R U . . .
H34C_10 H 0.0198 0.3274 0.2219 0.046 Uiso 1 1 calc R U . . .
Ni11_11 Ni 0.24927(2) 0.56027(2) 0.21374(2) 0.01389(3) Uani 1 1 d . . . . .
O21_11 O 0.27397(6) 0.57470(4) 0.17185(2) 0.01980(19) Uani 1 1 d . . . . .
O22_11 O 0.22411(6) 0.54669(3) 0.25579(2) 0.01961(19) Uani 1 1 d . . . . .
N21_11 N 0.33624(6) 0.53031(4) 0.22107(3) 0.0153(2) Uani 1 1 d . . . . .
N22_11 N 0.16665(6) 0.59558(4) 0.20905(3) 0.0156(2) Uani 1 1 d . . . . .
C1_11 C 0.33956(8) 0.58516(4) 0.16455(3) 0.0176(2) Uani 1 1 d . . . . .
C2_11 C 0.34826(9) 0.60763(5) 0.13477(3) 0.0238(3) Uani 1 1 d . . . . .
H2_11 H 0.3080 0.6133 0.1212 0.029 Uiso 1 1 calc R U . . .
C3_11 C 0.41433(9) 0.62099(5) 0.12584(4) 0.0246(3) Uani 1 1 d . . . . .
H3_11 H 0.4183 0.6352 0.1061 0.029 Uiso 1 1 calc R U . . .
C4_11 C 0.47763(8) 0.61359(4) 0.14616(4) 0.0210(3) Uani 1 1 d . . . . .
C5_11 C 0.54546(9) 0.62949(5) 0.13754(4) 0.0273(3) Uani 1 1 d . . . . .
H5_11 H 0.5492 0.6444 0.1181 0.033 Uiso 1 1 calc R U . . .
C6_11 C 0.60591(9) 0.62307(5) 0.15759(5) 0.0302(3) Uani 1 1 d . . . . .
H6_11 H 0.6505 0.6331 0.1516 0.036 Uiso 1 1 calc R U . . .
C7_11 C 0.59958(9) 0.60127(5) 0.18724(4) 0.0271(3) Uani 1 1 d . . . . .
H7_11 H 0.6402 0.5973 0.2010 0.033 Uiso 1 1 calc R U . . .
C8_11 C 0.53377(8) 0.58575(4) 0.19618(4) 0.0211(3) Uani 1 1 d . . . . .
H8_11 H 0.5306 0.5718 0.2160 0.025 Uiso 1 1 calc R U . . .
C9_11 C 0.47104(8) 0.59080(4) 0.17563(3) 0.0175(2) Uani 1 1 d . . . . .
C10_11 C 0.40133(7) 0.57486(4) 0.18410(3) 0.0157(2) Uani 1 1 d . . . . .
C11_11 C 0.39584(7) 0.54384(4) 0.20932(3) 0.0158(2) Uani 1 1 d . . . . .
H11_11 H 0.4386 0.5324 0.2180 0.019 Uiso 1 1 calc R U . . .
C12_11 C 0.20979(7) 0.57701(4) 0.27599(3) 0.0158(2) Uani 1 1 d . . . . .
C13_11 C 0.22469(8) 0.56981(5) 0.31024(3) 0.0210(3) Uani 1 1 d . . . . .
H13_11 H 0.2405 0.5434 0.3173 0.025 Uiso 1 1 calc R U . . .
C14_11 C 0.21607(8) 0.60106(5) 0.33243(3) 0.0230(3) Uani 1 1 d . . . . .
H14_11 H 0.2264 0.5956 0.3544 0.028 Uiso 1 1 calc R U . . .
C15_11 C 0.19151(8) 0.64215(5) 0.32273(3) 0.0201(3) Uani 1 1 d . . . . .
C16_11 C 0.18888(9) 0.67545(5) 0.34543(4) 0.0283(3) Uani 1 1 d . . . . .
H16_11 H 0.2021 0.6706 0.3673 0.034 Uiso 1 1 calc R U . . .
C17_11 C 0.16711(10) 0.71497(6) 0.33574(4) 0.0303(3) Uani 1 1 d . . . . .
H17_11 H 0.1656 0.7367 0.3509 0.036 Uiso 1 1 calc R U . . .
C18_11 C 0.14706(9) 0.72252(5) 0.30266(4) 0.0268(3) Uani 1 1 d . . . . .
H18_11 H 0.1324 0.7494 0.2961 0.032 Uiso 1 1 calc R U . . .
C19_11 C 0.14893(8) 0.69049(5) 0.28002(3) 0.0212(3) Uani 1 1 d . . . . .
H19_11 H 0.1351 0.6960 0.2583 0.025 Uiso 1 1 calc R U . . .
C20_11 C 0.17145(7) 0.64934(4) 0.28915(3) 0.0161(2) Uani 1 1 d . . . . .
C21_11 C 0.17902(7) 0.61573(4) 0.26610(3) 0.0145(2) Uani 1 1 d . . . . .
C22_11 C 0.14933(7) 0.61933(4) 0.23315(3) 0.0159(2) Uani 1 1 d . . . . .
H22_11 H 0.1152 0.6403 0.2289 0.019 Uiso 1 1 calc R U . . .
C23_11 C 0.33882(7) 0.49159(4) 0.24156(3) 0.0163(2) Uani 1 1 d . . . . .
H23_11 H 0.2922 0.4901 0.2518 0.020 Uiso 1 1 calc R U . . .
C24_11 C 0.39558(9) 0.49485(5) 0.26966(4) 0.0242(3) Uani 1 1 d . . . . .
H24A_11 H 0.4428 0.4938 0.2611 0.036 Uiso 1 1 calc R U . . .
H24B_11 H 0.3899 0.4718 0.2845 0.036 Uiso 1 1 calc R U . . .
H24C_11 H 0.3896 0.5210 0.2810 0.036 Uiso 1 1 calc R U . . .
C25_11 C 0.34353(8) 0.45123(4) 0.22044(4) 0.0194(2) Uani 1 1 d . . . . .
C26_11 C 0.33857(10) 0.41282(5) 0.24304(4) 0.0296(3) Uani 1 1 d . . . . .
H26A_11 H 0.3325 0.3877 0.2301 0.044 Uiso 1 1 calc R U . . .
H26B_11 H 0.2981 0.4161 0.2566 0.044 Uiso 1 1 calc R U . . .
H26C_11 H 0.3820 0.4106 0.2565 0.044 Uiso 1 1 calc R U . . .
C27_11 C 0.41283(9) 0.44764(5) 0.20182(4) 0.0276(3) Uani 1 1 d . . . . .
H27A_11 H 0.4139 0.4209 0.1909 0.041 Uiso 1 1 calc R U . . .
H27B_11 H 0.4537 0.4499 0.2169 0.041 Uiso 1 1 calc R U . . .
H27C_11 H 0.4144 0.4699 0.1860 0.041 Uiso 1 1 calc R U . . .
C28_11 C 0.27853(10) 0.45043(6) 0.19600(5) 0.0343(4) Uani 1 1 d . . . . .
H28A_11 H 0.2811 0.4740 0.1814 0.051 Uiso 1 1 calc R U . . .
H28B_11 H 0.2349 0.4521 0.2076 0.051 Uiso 1 1 calc R U . . .
H28C_11 H 0.2789 0.4247 0.1837 0.051 Uiso 1 1 calc R U . . .
C29_11 C 0.12254(8) 0.59740(5) 0.17808(3) 0.0211(3) Uani 1 1 d . . . . .
H29_11 H 0.1538 0.5878 0.1609 0.025 Uiso 1 1 calc R U . . .
C30_11 C 0.10009(11) 0.64261(6) 0.16894(4) 0.0381(4) Uani 1 1 d . . . . .
H30A_11 H 0.0608 0.6511 0.1819 0.057 Uiso 1 1 calc R U . . .
H30B_11 H 0.0853 0.6437 0.1462 0.057 Uiso 1 1 calc R U . . .
H30C_11 H 0.1402 0.6613 0.1730 0.057 Uiso 1 1 calc R U . . .
C31_11 C 0.05924(8) 0.56547(6) 0.17853(4) 0.0292(3) Uani 1 1 d . . . . .
C32_11 C 0.09014(13) 0.52100(7) 0.18330(7) 0.0563(6) Uani 1 1 d . . . . .
H32A_11 H 0.1115 0.5184 0.2050 0.084 Uiso 1 1 calc R U . . .
H32B_11 H 0.1261 0.5160 0.1676 0.084 Uiso 1 1 calc R U . . .
H32C_11 H 0.0522 0.5006 0.1803 0.084 Uiso 1 1 calc R U . . .
C33_11 C 0.01762(11) 0.56613(9) 0.14557(4) 0.0524(6) Uani 1 1 d . . . . .
H33A_11 H -0.0178 0.5441 0.1450 0.079 Uiso 1 1 calc R U . . .
H33B_11 H 0.0504 0.5618 0.1284 0.079 Uiso 1 1 calc R U . . .
H33C_11 H -0.0059 0.5929 0.1426 0.079 Uiso 1 1 calc R U . . .
C34_11 C 0.00774(11) 0.57560(9) 0.20504(5) 0.0648(9) Uani 1 1 d . . . . .
H34A_11 H -0.0328 0.5568 0.2033 0.097 Uiso 1 1 calc R U . . .
H34B_11 H -0.0087 0.6042 0.2026 0.097 Uiso 1 1 calc R U . . .
H34C_11 H 0.0320 0.5722 0.2261 0.097 Uiso 1 1 calc R U . . .
Ni12_12 Ni 0.24870(2) 0.80552(2) 0.21311(2) 0.01406(4) Uani 1 1 d . . . . .
O23_12 O 0.26926(6) 0.81529(4) 0.16984(2) 0.0210(2) Uani 1 1 d . . . . .
O24_12 O 0.23152(6) 0.79845(3) 0.25692(2) 0.0205(2) Uani 1 1 d . . . . .
N23_12 N 0.33728(6) 0.77748(4) 0.22044(3) 0.0157(2) Uani 1 1 d . . . . .
N24_12 N 0.16305(6) 0.83684(4) 0.20673(3) 0.0164(2) Uani 1 1 d . . . . .
C1_12 C 0.33299(8) 0.82886(5) 0.16222(3) 0.0192(2) Uani 1 1 d . . . . .
C2_12 C 0.33789(9) 0.85109(5) 0.13193(4) 0.0256(3) Uani 1 1 d . . . . .
H2_12 H 0.2969 0.8542 0.1183 0.031 Uiso 1 1 calc R U . . .
C3_12 C 0.40175(9) 0.86772(5) 0.12272(4) 0.0263(3) Uani 1 1 d . . . . .
H3_12 H 0.4035 0.8819 0.1029 0.032 Uiso 1 1 calc R U . . .
C4_12 C 0.46579(9) 0.86375(5) 0.14296(4) 0.0227(3) Uani 1 1 d . . . . .
C5_12 C 0.53109(9) 0.88286(5) 0.13399(4) 0.0287(3) Uani 1 1 d . . . . .
H5_12 H 0.5324 0.8976 0.1144 0.034 Uiso 1 1 calc R U . . .
C6_12 C 0.59247(10) 0.87991(5) 0.15392(5) 0.0333(4) Uani 1 1 d . . . . .
H6_12 H 0.6352 0.8922 0.1477 0.040 Uiso 1 1 calc R U . . .
C7_12 C 0.58986(9) 0.85808(5) 0.18387(4) 0.0285(3) Uani 1 1 d . . . . .
H7_12 H 0.6311 0.8562 0.1975 0.034 Uiso 1 1 calc R U . . .
C8_12 C 0.52673(8) 0.83959(5) 0.19309(4) 0.0223(3) Uani 1 1 d . . . . .
H8_12 H 0.5259 0.8258 0.2131 0.027 Uiso 1 1 calc R U . . .
C9_12 C 0.46321(8) 0.84120(4) 0.17277(3) 0.0187(2) Uani 1 1 d . . . . .
C10_12 C 0.39624(8) 0.82232(4) 0.18170(3) 0.0171(2) Uani 1 1 d . . . . .
C11_12 C 0.39517(8) 0.79184(4) 0.20760(3) 0.0170(2) Uani 1 1 d . . . . .
H11_12 H 0.4392 0.7816 0.2158 0.020 Uiso 1 1 calc R U . . .
C12_12 C 0.20991(7) 0.82975(4) 0.27446(3) 0.0171(2) Uani 1 1 d . . . . .
C13_12 C 0.22630(8) 0.82829(6) 0.30906(3) 0.0253(3) Uani 1 1 d . . . . .
H13_12 H 0.2483 0.8045 0.3182 0.030 Uiso 1 1 calc R U . . .
C14_12 C 0.20997(9) 0.86147(6) 0.32863(4) 0.0304(3) Uani 1 1 d . . . . .
H14_12 H 0.2219 0.8599 0.3509 0.037 Uiso 1 1 calc R U . . .
C15_12 C 0.17503(9) 0.89859(5) 0.31594(4) 0.0272(3) Uani 1 1 d . . . . .
C16_12 C 0.16153(10) 0.93428(6) 0.33554(4) 0.0372(4) Uani 1 1 d . . . . .
H16_12 H 0.1755 0.9337 0.3576 0.045 Uiso 1 1 calc R U . . .
C17_12 C 0.12853(12) 0.96968(6) 0.32289(5) 0.0447(5) Uani 1 1 d . . . . .
H17_12 H 0.1198 0.9926 0.3363 0.054 Uiso 1 1 calc R U . . .
C18_12 C 0.10817(13) 0.97109(6) 0.28988(5) 0.0436(5) Uani 1 1 d . . . . .
H18_12 H 0.0862 0.9952 0.2812 0.052 Uiso 1 1 calc R U . . .
C19_12 C 0.12030(10) 0.93700(5) 0.26988(4) 0.0318(3) Uani 1 1 d . . . . .
H19_12 H 0.1060 0.9384 0.2479 0.038 Uiso 1 1 calc R U . . .
C20_12 C 0.15426(8) 0.89978(5) 0.28226(4) 0.0223(3) Uani 1 1 d . . . . .
C21_12 C 0.17099(7) 0.86457(4) 0.26183(3) 0.0167(2) Uani 1 1 d . . . . .
C22_12 C 0.14187(7) 0.86265(4) 0.22886(3) 0.0173(2) Uani 1 1 d . . . . .
H22_12 H 0.1050 0.8813 0.2229 0.021 Uiso 1 1 calc R U . . .
C23_12 C 0.34213(7) 0.73952(4) 0.24157(3) 0.0161(2) Uani 1 1 d . . . . .
H23_12 H 0.2960 0.7378 0.2522 0.019 Uiso 1 1 calc R U . . .
C24_12 C 0.39968(9) 0.74436(5) 0.26914(4) 0.0241(3) Uani 1 1 d . . . . .
H24A_12 H 0.4466 0.7437 0.2602 0.036 Uiso 1 1 calc R U . . .
H24B_12 H 0.3955 0.7217 0.2845 0.036 Uiso 1 1 calc R U . . .
H24C_12 H 0.3931 0.7708 0.2801 0.036 Uiso 1 1 calc R U . . .
C25_12 C 0.34754(8) 0.69861(4) 0.22096(4) 0.0191(2) Uani 1 1 d . . . . .
C26_12 C 0.34814(9) 0.66070(5) 0.24428(4) 0.0266(3) Uani 1 1 d . . . . .
H26A_12 H 0.3101 0.6637 0.2592 0.040 Uiso 1 1 calc R U . . .
H26B_12 H 0.3936 0.6595 0.2563 0.040 Uiso 1 1 calc R U . . .
H26C_12 H 0.3411 0.6352 0.2319 0.040 Uiso 1 1 calc R U . . .
C27_12 C 0.41478(9) 0.69635(5) 0.20078(4) 0.0273(3) Uani 1 1 d . . . . .
H27A_12 H 0.4569 0.7005 0.2148 0.041 Uiso 1 1 calc R U . . .
H27B_12 H 0.4125 0.7180 0.1844 0.041 Uiso 1 1 calc R U . . .
H27C_12 H 0.4171 0.6692 0.1905 0.041 Uiso 1 1 calc R U . . .
C28_12 C 0.28007(9) 0.69568(5) 0.19787(4) 0.0296(3) Uani 1 1 d . . . . .
H28A_12 H 0.2808 0.6695 0.1861 0.044 Uiso 1 1 calc R U . . .
H28B_12 H 0.2797 0.7188 0.1827 0.044 Uiso 1 1 calc R U . . .
H28C_12 H 0.2377 0.6969 0.2104 0.044 Uiso 1 1 calc R U . . .
C29_12 C 0.12017(8) 0.83219(5) 0.17558(3) 0.0215(3) Uani 1 1 d . . . . .
H29_12 H 0.1501 0.8154 0.1614 0.026 Uiso 1 1 calc R U . . .
C30_12 C 0.10901(10) 0.87412(6) 0.15829(4) 0.0334(4) Uani 1 1 d . . . . .
H30A_12 H 0.0818 0.8926 0.1716 0.050 Uiso 1 1 calc R U . . .
H30B_12 H 0.0833 0.8697 0.1378 0.050 Uiso 1 1 calc R U . . .
H30C_12 H 0.1549 0.8867 0.1545 0.050 Uiso 1 1 calc R U . . .
C31_12 C 0.05082(9) 0.80556(6) 0.18008(4) 0.0265(3) Uani 1 1 d . . . . .
C32_12 C 0.02497(11) 0.78870(8) 0.14654(4) 0.0473(5) Uani 1 1 d . . . . .
H32A_12 H -0.0169 0.7714 0.1489 0.071 Uiso 1 1 calc R U . . .
H32B_12 H 0.0625 0.7722 0.1375 0.071 Uiso 1 1 calc R U . . .
H32C_12 H 0.0131 0.8119 0.1323 0.071 Uiso 1 1 calc R U . . .
C33_12 C -0.01064(9) 0.83157(7) 0.19360(4) 0.0350(4) Uani 1 1 d . . . . .
H33A_12 H -0.0217 0.8548 0.1792 0.052 Uiso 1 1 calc R U . . .
H33B_12 H 0.0038 0.8422 0.2148 0.052 Uiso 1 1 calc R U . . .
H33C_12 H -0.0525 0.8141 0.1952 0.052 Uiso 1 1 calc R U . . .
C34_12 C 0.06799(10) 0.76761(6) 0.20217(5) 0.0350(4) Uani 1 1 d . . . . .
H34A_12 H 0.0262 0.7499 0.2031 0.052 Uiso 1 1 calc R U . . .
H34B_12 H 0.0816 0.7773 0.2238 0.052 Uiso 1 1 calc R U . . .
H34C_12 H 0.1069 0.7518 0.1935 0.052 Uiso 1 1 calc R U . . .
Ni13_13 Ni 0.24692(2) 0.18066(2) 0.46747(2) 0.01408(4) Uani 1 1 d . . . . .
O25_13 O 0.26683(6) 0.19487(4) 0.42489(2) 0.0200(2) Uani 1 1 d . . . . .
O26_13 O 0.22878(6) 0.16843(3) 0.51062(2) 0.01890(19) Uani 1 1 d . . . . .
N25_13 N 0.33440(6) 0.15084(4) 0.47279(3) 0.0149(2) Uani 1 1 d . . . . .
N26_13 N 0.16167(6) 0.21352(4) 0.46390(3) 0.0168(2) Uani 1 1 d . . . . .
C1_13 C 0.33123(8) 0.20581(4) 0.41643(3) 0.0184(2) Uani 1 1 d . . . . .
C2_13 C 0.33695(9) 0.22842(5) 0.38633(3) 0.0246(3) Uani 1 1 d . . . . .
H2_13 H 0.2955 0.2336 0.3734 0.030 Uiso 1 1 calc R U . . .
C3_13 C 0.40178(9) 0.24248(5) 0.37627(4) 0.0264(3) Uani 1 1 d . . . . .
H3_13 H 0.4037 0.2568 0.3565 0.032 Uiso 1 1 calc R U . . .
C4_13 C 0.46677(9) 0.23555(4) 0.39550(4) 0.0227(3) Uani 1 1 d . . . . .
C5_13 C 0.53358(10) 0.25187(5) 0.38567(4) 0.0297(3) Uani 1 1 d . . . . .
H5_13 H 0.5354 0.2669 0.3662 0.036 Uiso 1 1 calc R U . . .
C6_13 C 0.59578(10) 0.24571(5) 0.40460(5) 0.0319(4) Uani 1 1 d . . . . .
H6_13 H 0.6395 0.2561 0.3978 0.038 Uiso 1 1 calc R U . . .
C7_13 C 0.59254(9) 0.22362(5) 0.43422(4) 0.0273(3) Uani 1 1 d . . . . .
H7_13 H 0.6344 0.2197 0.4472 0.033 Uiso 1 1 calc R U . . .
C8_13 C 0.52798(8) 0.20771(5) 0.44436(4) 0.0221(3) Uani 1 1 d . . . . .
H8_13 H 0.5270 0.1935 0.4642 0.027 Uiso 1 1 calc R U . . .
C9_13 C 0.46342(8) 0.21261(4) 0.42514(3) 0.0185(2) Uani 1 1 d . . . . .
C10_13 C 0.39516(7) 0.19621(4) 0.43489(3) 0.0164(2) Uani 1 1 d . . . . .
C11_13 C 0.39252(7) 0.16487(4) 0.46002(3) 0.0160(2) Uani 1 1 d . . . . .
H11_13 H 0.4362 0.1536 0.4679 0.019 Uiso 1 1 calc R U . . .
C12_13 C 0.21043(7) 0.19828(4) 0.53038(3) 0.0161(2) Uani 1 1 d . . . . .
C13_13 C 0.22417(8) 0.19149(5) 0.56491(3) 0.0208(3) Uani 1 1 d . . . . .
H13_13 H 0.2428 0.1658 0.5722 0.025 Uiso 1 1 calc R U . . .
C14_13 C 0.21017(8) 0.22221(5) 0.58696(3) 0.0227(3) Uani 1 1 d . . . . .
H14_13 H 0.2194 0.2170 0.6091 0.027 Uiso 1 1 calc R U . . .
C15_13 C 0.18161(8) 0.26235(5) 0.57700(3) 0.0197(3) Uani 1 1 d . . . . .
C16_13 C 0.17142(9) 0.29493(5) 0.59972(4) 0.0256(3) Uani 1 1 d . . . . .
H16_13 H 0.1831 0.2903 0.6217 0.031 Uiso 1 1 calc R U . . .
C17_13 C 0.14462(9) 0.33331(5) 0.58982(4) 0.0279(3) Uani 1 1 d . . . . .
H17_13 H 0.1377 0.3545 0.6051 0.034 Uiso 1 1 calc R U . . .
C18_13 C 0.12751(9) 0.34063(5) 0.55646(4) 0.0249(3) Uani 1 1 d . . . . .
H18_13 H 0.1093 0.3667 0.5497 0.030 Uiso 1 1 calc R U . . .
C19_13 C 0.13758(8) 0.30931(5) 0.53366(4) 0.0208(3) Uani 1 1 d . . . . .
H19_13 H 0.1267 0.3147 0.5117 0.025 Uiso 1 1 calc R U . . .
C20_13 C 0.16416(7) 0.26914(4) 0.54314(3) 0.0165(2) Uani 1 1 d . . . . .
C21_13 C 0.17623(7) 0.23594(4) 0.52031(3) 0.0151(2) Uani 1 1 d . . . . .
C22_13 C 0.14422(7) 0.23764(4) 0.48766(3) 0.0167(2) Uani 1 1 d . . . . .
H22_13 H 0.1083 0.2576 0.4834 0.020 Uiso 1 1 calc R U . . .
C23_13 C 0.33889(7) 0.11153(4) 0.49263(3) 0.0164(2) Uani 1 1 d . . . . .
H23_13 H 0.2928 0.1093 0.5033 0.020 Uiso 1 1 calc R U . . .
C24_13 C 0.39674(9) 0.11462(5) 0.52024(4) 0.0235(3) Uani 1 1 d . . . . .
H24A_13 H 0.4435 0.1149 0.5112 0.035 Uiso 1 1 calc R U . . .
H24B_13 H 0.3930 0.0908 0.5345 0.035 Uiso 1 1 calc R U . . .
H24C_13 H 0.3900 0.1401 0.5323 0.035 Uiso 1 1 calc R U . . .
C25_13 C 0.34410(8) 0.07185(4) 0.47079(4) 0.0215(3) Uani 1 1 d . . . . .
C26_13 C 0.41091(10) 0.07054(5) 0.45025(4) 0.0312(4) Uani 1 1 d . . . . .
H26A_13 H 0.4134 0.0437 0.4395 0.047 Uiso 1 1 calc R U . . .
H26B_13 H 0.4533 0.0745 0.4642 0.047 Uiso 1 1 calc R U . . .
H26C_13 H 0.4079 0.0926 0.4342 0.047 Uiso 1 1 calc R U . . .
C27_13 C 0.34508(10) 0.03277(5) 0.49303(4) 0.0288(3) Uani 1 1 d . . . . .
H27A_13 H 0.3369 0.0079 0.4800 0.043 Uiso 1 1 calc R U . . .
H27B_13 H 0.3079 0.0353 0.5085 0.043 Uiso 1 1 calc R U . . .
H27C_13 H 0.3911 0.0307 0.5045 0.043 Uiso 1 1 calc R U . . .
C28_13 C 0.27630(11) 0.06967(6) 0.44789(5) 0.0359(4) Uani 1 1 d . . . . .
H28A_13 H 0.2738 0.0944 0.4343 0.054 Uiso 1 1 calc R U . . .
H28B_13 H 0.2343 0.0683 0.4607 0.054 Uiso 1 1 calc R U . . .
H28C_13 H 0.2785 0.0450 0.4344 0.054 Uiso 1 1 calc R U . . .
C29_13 C 0.11359(8) 0.21201(5) 0.43407(3) 0.0238(3) Uani 1 1 d . . . . .
H29_13 H 0.1440 0.2046 0.4160 0.029 Uiso 1 1 calc R U . . .
C30_13 C 0.07949(11) 0.25470(6) 0.42552(4) 0.0400(4) Uani 1 1 d . . . . .
H30A_13 H 0.0415 0.2604 0.4400 0.060 Uiso 1 1 calc R U . . .
H30B_13 H 0.0601 0.2541 0.4034 0.060 Uiso 1 1 calc R U . . .
H30C_13 H 0.1154 0.2764 0.4277 0.060 Uiso 1 1 calc R U . . .
C31_13 C 0.05814(9) 0.17537(7) 0.43697(4) 0.0360(4) Uani 1 1 d . . . . .
C32_13 C 0.09815(12) 0.13309(7) 0.43954(5) 0.0447(5) Uani 1 1 d . . . . .
H32A_13 H 0.0638 0.1105 0.4399 0.067 Uiso 1 1 calc R U . . .
H32B_13 H 0.1279 0.1325 0.4593 0.067 Uiso 1 1 calc R U . . .
H32C_13 H 0.1278 0.1298 0.4211 0.067 Uiso 1 1 calc R U . . .
C33_13 C 0.00842(12) 0.17415(9) 0.40624(5) 0.0555(6) Uani 1 1 d . . . . .
H33A_13 H -0.0200 0.1489 0.4062 0.083 Uiso 1 1 calc R U . . .
H33B_13 H 0.0369 0.1745 0.3872 0.083 Uiso 1 1 calc R U . . .
H33C_13 H -0.0228 0.1983 0.4059 0.083 Uiso 1 1 calc R U . . .
C34_13 C 0.01228(11) 0.18021(9) 0.46689(5) 0.0531(6) Uani 1 1 d . . . . .
H34A_13 H -0.0145 0.2061 0.4652 0.080 Uiso 1 1 calc R U . . .
H34B_13 H 0.0431 0.1807 0.4863 0.080 Uiso 1 1 calc R U . . .
H34C_13 H -0.0205 0.1569 0.4679 0.080 Uiso 1 1 calc R U . . .
Ni14_14 Ni 0.22970(2) 0.42910(2) 0.46249(2) 0.01579(4) Uani 1 1 d . . . . .
O27_14 O 0.24829(6) 0.44432(4) 0.42010(2) 0.0230(2) Uani 1 1 d . . . . .
O28_14 O 0.20954(6) 0.41442(3) 0.50504(2) 0.01973(19) Uani 1 1 d . . . . .
N27_14 N 0.31858(6) 0.40080(4) 0.46762(3) 0.0168(2) Uani 1 1 d . . . . .
N28_14 N 0.14571(6) 0.46342(4) 0.46040(3) 0.0185(2) Uani 1 1 d . . . . .
C1_14 C 0.20026(7) 0.44510(4) 0.52570(3) 0.0166(2) Uani 1 1 d . . . . .
C2_14 C 0.22171(8) 0.43809(5) 0.55937(3) 0.0199(2) Uani 1 1 d . . . . .
H2_14 H 0.2377 0.4115 0.5661 0.024 Uiso 1 1 calc R U . . .
C3_14 C 0.21893(8) 0.46992(5) 0.58157(3) 0.0211(3) Uani 1 1 d . . . . .
H3_14 H 0.2335 0.4648 0.6032 0.025 Uiso 1 1 calc R U . . .
C4_14 C 0.19423(7) 0.51097(5) 0.57238(3) 0.0189(2) Uani 1 1 d . . . . .
C5_14 C 0.19863(8) 0.54509(5) 0.59448(3) 0.0240(3) Uani 1 1 d . . . . .
H5_14 H 0.2171 0.5407 0.6157 0.029 Uiso 1 1 calc R U . . .
C6_14 C 0.17602(9) 0.58459(5) 0.58515(4) 0.0265(3) Uani 1 1 d . . . . .
H6_14 H 0.1796 0.6069 0.5999 0.032 Uiso 1 1 calc R U . . .
C7_14 C 0.14744(8) 0.59147(5) 0.55321(4) 0.0250(3) Uani 1 1 d . . . . .
H7_14 H 0.1314 0.6182 0.5470 0.030 Uiso 1 1 calc R U . . .
C8_14 C 0.14301(8) 0.55888(5) 0.53106(3) 0.0213(2) Uani 1 1 d . . . . .
H8_14 H 0.1241 0.5639 0.5100 0.026 Uiso 1 1 calc R U . . .
C9_14 C 0.16685(7) 0.51776(4) 0.53975(3) 0.0167(2) Uani 1 1 d . . . . .
C10_14 C 0.16873(7) 0.48387(4) 0.51676(3) 0.0160(2) Uani 1 1 d . . . . .
C11_14 C 0.13232(7) 0.48708(5) 0.48506(3) 0.0182(2) Uani 1 1 d . . . . .
H11_14 H 0.0968 0.5076 0.4822 0.022 Uiso 1 1 calc R U . . .
C12_14 C 0.31193(8) 0.45609(4) 0.41132(3) 0.0211(3) Uani 1 1 d . . . . .
C13_14 C 0.31590(10) 0.47844(5) 0.38097(4) 0.0287(3) Uani 1 1 d . . . . .
H13_14 H 0.2741 0.4829 0.3681 0.034 Uiso 1 1 calc R U . . .
C14_14 C 0.38009(10) 0.49326(5) 0.37065(4) 0.0309(3) Uani 1 1 d . . . . .
H14_14 H 0.3814 0.5072 0.3507 0.037 Uiso 1 1 calc R U . . .
C15_14 C 0.44533(10) 0.48777(5) 0.38998(4) 0.0277(3) Uani 1 1 d . . . . .
C16_14 C 0.51088(11) 0.50532(5) 0.37992(5) 0.0359(4) Uani 1 1 d . . . . .
H16_14 H 0.5117 0.5197 0.3601 0.043 Uiso 1 1 calc R U . . .
C17_14 C 0.57300(11) 0.50146(6) 0.39891(5) 0.0411(5) Uani 1 1 d . . . . .
H17_14 H 0.6159 0.5129 0.3920 0.049 Uiso 1 1 calc R U . . .
C18_14 C 0.57149(10) 0.48001(5) 0.42901(5) 0.0349(4) Uani 1 1 d . . . . .
H18_14 H 0.6135 0.4775 0.4421 0.042 Uiso 1 1 calc R U . . .
C19_14 C 0.50814(9) 0.46267(5) 0.43927(4) 0.0271(3) Uani 1 1 d . . . . .
H19_14 H 0.5079 0.4490 0.4593 0.033 Uiso 1 1 calc R U . . .
C20_14 C 0.44358(8) 0.46540(4) 0.41974(4) 0.0219(3) Uani 1 1 d . . . . .
C21_14 C 0.37630(8) 0.44747(4) 0.42959(3) 0.0199(3) Uani 1 1 d . . . . .
C22_14 C 0.37559(8) 0.41625(4) 0.45474(3) 0.0184(2) Uani 1 1 d . . . . .
H22_14 H 0.4200 0.4061 0.4626 0.022 Uiso 1 1 calc R U . . .
C23_14 C 0.09572(9) 0.46373(6) 0.43143(3) 0.0279(3) Uani 1 1 d . . . . .
H23_14 H 0.1248 0.4579 0.4126 0.033 Uiso 1 1 calc R U . . .
C24_14 C 0.06026(13) 0.50631(8) 0.42515(5) 0.0521(6) Uani 1 1 d . . . . .
H24A_14 H 0.0257 0.5115 0.4414 0.078 Uiso 1 1 calc R U . . .
H24B_14 H 0.0364 0.5063 0.4039 0.078 Uiso 1 1 calc R U . . .
H24C_14 H 0.0963 0.5280 0.4262 0.078 Uiso 1 1 calc R U . . .
C25_14 C 0.04136(9) 0.42636(8) 0.43368(4) 0.0427(5) Uani 1 1 d . . . . .
C26_14 C -0.00079(11) 0.42921(10) 0.46491(5) 0.0663(9) Uani 1 1 d . . . . .
H26A_14 H -0.0339 0.4060 0.4657 0.099 Uiso 1 1 calc R U . . .
H26B_14 H -0.0270 0.4553 0.4650 0.099 Uiso 1 1 calc R U . . .
H26C_14 H 0.0321 0.4281 0.4836 0.099 Uiso 1 1 calc R U . . .
C27_14 C 0.08147(14) 0.38455(7) 0.43356(6) 0.0542(6) Uani 1 1 d . . . . .
H27A_14 H 0.0474 0.3618 0.4324 0.081 Uiso 1 1 calc R U . . .
H27B_14 H 0.1113 0.3821 0.4532 0.081 Uiso 1 1 calc R U . . .
H27C_14 H 0.1111 0.3834 0.4150 0.081 Uiso 1 1 calc R U . . .
C28_14 C -0.01168(12) 0.42773(11) 0.40408(5) 0.0682(9) Uani 1 1 d . . . . .
H28A_14 H 0.0145 0.4281 0.3844 0.102 Uiso 1 1 calc R U . . .
H28B_14 H -0.0408 0.4527 0.4051 0.102 Uiso 1 1 calc R U . . .
H28C_14 H -0.0421 0.4032 0.4041 0.102 Uiso 1 1 calc R U . . .
C29_14 C 0.32612(8) 0.36255(4) 0.48838(3) 0.0168(2) Uani 1 1 d . . . . .
H29_14 H 0.2804 0.3597 0.4992 0.020 Uiso 1 1 calc R U . . .
C30_14 C 0.38388(9) 0.36824(5) 0.51580(4) 0.0241(3) Uani 1 1 d . . . . .
H30A_14 H 0.4305 0.3692 0.5066 0.036 Uiso 1 1 calc R U . . .
H30B_14 H 0.3820 0.3450 0.5307 0.036 Uiso 1 1 calc R U . . .
H30C_14 H 0.3754 0.3941 0.5272 0.036 Uiso 1 1 calc R U . . .
C31_14 C 0.33349(8) 0.32205(4) 0.46731(4) 0.0204(3) Uani 1 1 d . . . . .
C32_14 C 0.33647(10) 0.28400(5) 0.49061(4) 0.0274(3) Uani 1 1 d . . . . .
H32A_14 H 0.3307 0.2585 0.4782 0.041 Uiso 1 1 calc R U . . .
H32B_14 H 0.2985 0.2862 0.5057 0.041 Uiso 1 1 calc R U . . .
H32C_14 H 0.3821 0.2836 0.5025 0.041 Uiso 1 1 calc R U . . .
C33_14 C 0.40058(10) 0.32104(5) 0.44694(4) 0.0281(3) Uani 1 1 d . . . . .
H33A_14 H 0.4043 0.2940 0.4366 0.042 Uiso 1 1 calc R U . . .
H33B_14 H 0.4426 0.3259 0.4609 0.042 Uiso 1 1 calc R U . . .
H33C_14 H 0.3969 0.3426 0.4305 0.042 Uiso 1 1 calc R U . . .
C34_14 C 0.26609(10) 0.31821(5) 0.44457(4) 0.0312(3) Uani 1 1 d . . . . .
H34A_14 H 0.2647 0.3412 0.4293 0.047 Uiso 1 1 calc R U . . .
H34B_14 H 0.2239 0.3190 0.4573 0.047 Uiso 1 1 calc R U . . .
H34C_14 H 0.2675 0.2920 0.4329 0.047 Uiso 1 1 calc R U . . .
Ni15_15 Ni 0.24153(2) 0.68885(2) 0.46196(2) 0.01376(4) Uani 1 1 d . . . . .
O29_15 O 0.26653(6) 0.70357(4) 0.42019(2) 0.01983(19) Uani 1 1 d . . . . .
O30_15 O 0.21712(6) 0.67449(3) 0.50390(2) 0.01890(19) Uani 1 1 d . . . . .
N29_15 N 0.32567(6) 0.65574(4) 0.46775(3) 0.0154(2) Uani 1 1 d . . . . .
N30_15 N 0.16304(6) 0.72716(4) 0.45844(3) 0.01517(19) Uani 1 1 d . . . . .
C1_15 C 0.20369(7) 0.70395(4) 0.52496(3) 0.0155(2) Uani 1 1 d . . . . .
C2_15 C 0.21758(8) 0.69455(5) 0.55894(3) 0.0195(3) Uani 1 1 d . . . . .
H2_15 H 0.2326 0.6676 0.5651 0.023 Uiso 1 1 calc R U . . .
C3_15 C 0.20908(8) 0.72455(5) 0.58227(3) 0.0213(3) Uani 1 1 d . . . . .
H3_15 H 0.2180 0.7176 0.6041 0.026 Uiso 1 1 calc R U . . .
C4_15 C 0.18677(8) 0.76644(5) 0.57401(3) 0.0197(2) Uani 1 1 d . . . . .
C5_15 C 0.18544(9) 0.79835(5) 0.59802(4) 0.0268(3) Uani 1 1 d . . . . .
H5_15 H 0.1968 0.7917 0.6197 0.032 Uiso 1 1 calc R U . . .
C6_15 C 0.16758(9) 0.83893(5) 0.58971(4) 0.0290(3) Uani 1 1 d . . . . .
H6_15 H 0.1663 0.8597 0.6057 0.035 Uiso 1 1 calc R U . . .
C7_15 C 0.15113(9) 0.84914(5) 0.55672(4) 0.0254(3) Uani 1 1 d . . . . .
H7_15 H 0.1400 0.8768 0.5510 0.031 Uiso 1 1 calc R U . . .
C8_15 C 0.15138(8) 0.81843(5) 0.53293(3) 0.0211(3) Uani 1 1 d . . . . .
H8_15 H 0.1396 0.8257 0.5114 0.025 Uiso 1 1 calc R U . . .
C9_15 C 0.16922(7) 0.77607(4) 0.54059(3) 0.0165(2) Uani 1 1 d . . . . .
C10_15 C 0.17527(7) 0.74371(4) 0.51635(3) 0.0151(2) Uani 1 1 d . . . . .
C11_15 C 0.14728(7) 0.75007(4) 0.48331(3) 0.0165(2) Uani 1 1 d . . . . .
H11_15 H 0.1154 0.7724 0.4796 0.020 Uiso 1 1 calc R U . . .
C12_15 C 0.33262(8) 0.71369(4) 0.41356(3) 0.0175(2) Uani 1 1 d . . . . .
C13_15 C 0.34295(9) 0.73742(5) 0.38431(4) 0.0241(3) Uani 1 1 d . . . . .
H13_15 H 0.3033 0.7441 0.3707 0.029 Uiso 1 1 calc R U . . .
C14_15 C 0.40982(9) 0.75028(5) 0.37618(4) 0.0257(3) Uani 1 1 d . . . . .
H14_15 H 0.4151 0.7651 0.3568 0.031 Uiso 1 1 calc R U . . .
C15_15 C 0.47200(9) 0.74149(5) 0.39684(4) 0.0225(3) Uani 1 1 d . . . . .
C16_15 C 0.54071(10) 0.75705(5) 0.38920(4) 0.0293(3) Uani 1 1 d . . . . .
H16_15 H 0.5457 0.7725 0.3702 0.035 Uiso 1 1 calc R U . . .
C17_15 C 0.60027(9) 0.74954(5) 0.40962(5) 0.0323(4) Uani 1 1 d . . . . .
H17_15 H 0.6453 0.7595 0.4043 0.039 Uiso 1 1 calc R U . . .
C18_15 C 0.59214(9) 0.72667(5) 0.43866(4) 0.0276(3) Uani 1 1 d . . . . .
H18_15 H 0.6320 0.7218 0.4527 0.033 Uiso 1 1 calc R U . . .
C19_15 C 0.52544(8) 0.71136(5) 0.44661(4) 0.0216(3) Uani 1 1 d . . . . .
H19_15 H 0.5210 0.6967 0.4661 0.026 Uiso 1 1 calc R U . . .
C20_15 C 0.46382(8) 0.71762(4) 0.42561(3) 0.0181(2) Uani 1 1 d . . . . .
C21_15 C 0.39343(7) 0.70187(4) 0.43307(3) 0.0160(2) Uani 1 1 d . . . . .
C22_15 C 0.38598(8) 0.66898(4) 0.45677(3) 0.0163(2) Uani 1 1 d . . . . .
H22_15 H 0.4280 0.6561 0.4649 0.020 Uiso 1 1 calc R U . . .
C23_15 C 0.12039(7) 0.73262(5) 0.42729(3) 0.0188(2) Uani 1 1 d . . . . .
H23_15 H 0.1505 0.7219 0.4101 0.023 Uiso 1 1 calc R U . . .
C24_15 C 0.10549(10) 0.77879(5) 0.41910(4) 0.0299(3) Uani 1 1 d . . . . .
H24A_15 H 0.0678 0.7891 0.4323 0.045 Uiso 1 1 calc R U . . .
H24B_15 H 0.0909 0.7813 0.3964 0.045 Uiso 1 1 calc R U . . .
H24C_15 H 0.1484 0.7951 0.4235 0.045 Uiso 1 1 calc R U . . .
C25_15 C 0.05212(8) 0.70416(5) 0.42670(4) 0.0242(3) Uani 1 1 d . . . . .
C26_15 C 0.00028(9) 0.71682(8) 0.45244(5) 0.0434(5) Uani 1 1 d . . . . .
H26A_15 H -0.0427 0.7000 0.4501 0.065 Uiso 1 1 calc R U . . .
H26B_15 H -0.0119 0.7461 0.4498 0.065 Uiso 1 1 calc R U . . .
H26C_15 H 0.0225 0.7124 0.4738 0.065 Uiso 1 1 calc R U . . .
C27_15 C 0.07528(12) 0.65819(6) 0.43164(7) 0.0564(7) Uani 1 1 d . . . . .
H27A_15 H 0.0972 0.6548 0.4531 0.085 Uiso 1 1 calc R U . . .
H27B_15 H 0.1093 0.6508 0.4156 0.085 Uiso 1 1 calc R U . . .
H27C_15 H 0.0338 0.6402 0.4293 0.085 Uiso 1 1 calc R U . . .
C28_15 C 0.01218(10) 0.70804(7) 0.39336(4) 0.0418(5) Uani 1 1 d . . . . .
H28A_15 H -0.0286 0.6894 0.3925 0.063 Uiso 1 1 calc R U . . .
H28B_15 H 0.0441 0.7006 0.3765 0.063 Uiso 1 1 calc R U . . .
H28C_15 H -0.0040 0.7366 0.3902 0.063 Uiso 1 1 calc R U . . .
C29_15 C 0.32459(7) 0.61527(4) 0.48610(3) 0.0165(2) Uani 1 1 d . . . . .
H29_15 H 0.2785 0.6146 0.4968 0.020 Uiso 1 1 calc R U . . .
C30_15 C 0.38295(9) 0.61364(5) 0.51358(4) 0.0286(3) Uani 1 1 d . . . . .
H30A_15 H 0.4294 0.6114 0.5043 0.043 Uiso 1 1 calc R U . . .
H30B_15 H 0.3751 0.5896 0.5272 0.043 Uiso 1 1 calc R U . . .
H30C_15 H 0.3810 0.6389 0.5264 0.043 Uiso 1 1 calc R U . . .
C31_15 C 0.32340(9) 0.57706(4) 0.46234(4) 0.0238(3) Uani 1 1 d . . . . .
C32_15 C 0.31919(10) 0.53648(5) 0.48269(4) 0.0317(4) Uani 1 1 d . . . . .
H32A_15 H 0.3076 0.5131 0.4685 0.047 Uiso 1 1 calc R U . . .
H32B_15 H 0.2825 0.5395 0.4983 0.047 Uiso 1 1 calc R U . . .
H32C_15 H 0.3648 0.5315 0.4939 0.047 Uiso 1 1 calc R U . . .
C33_15 C 0.38936(12) 0.57436(5) 0.44146(5) 0.0393(5) Uani 1 1 d . . . . .
H33A_15 H 0.4323 0.5742 0.4554 0.059 Uiso 1 1 calc R U . . .
H33B_15 H 0.3902 0.5983 0.4271 0.059 Uiso 1 1 calc R U . . .
H33C_15 H 0.3871 0.5489 0.4288 0.059 Uiso 1 1 calc R U . . .
C34_15 C 0.25503(12) 0.57971(6) 0.44007(5) 0.0428(5) Uani 1 1 d . . . . .
H34A_15 H 0.2559 0.6052 0.4275 0.064 Uiso 1 1 calc R U . . .
H34B_15 H 0.2134 0.5797 0.4532 0.064 Uiso 1 1 calc R U . . .
H34C_15 H 0.2530 0.5559 0.4256 0.064 Uiso 1 1 calc R U . . .
Ni16_16 Ni 0.25437(2) 0.93223(2) 0.46728(2) 0.01295(4) Uani 1 1 d . . . . .
O31_16 O 0.27522(5) 0.94150(4) 0.42395(2) 0.01952(19) Uani 1 1 d . . . . .
O32_16 O 0.23740(5) 0.92552(3) 0.51108(2) 0.01837(19) Uani 1 1 d . . . . .
N31_16 N 0.34258(6) 0.90397(3) 0.47465(3) 0.01451(19) Uani 1 1 d . . . . .
N32_16 N 0.16850(6) 0.96333(4) 0.46083(3) 0.0157(2) Uani 1 1 d . . . . .
C1_16 C 0.21474(7) 0.95664(4) 0.52865(3) 0.0154(2) Uani 1 1 d . . . . .
C2_16 C 0.23075(8) 0.95469(5) 0.56328(3) 0.0218(3) Uani 1 1 d . . . . .
H2_16 H 0.2536 0.9310 0.5722 0.026 Uiso 1 1 calc R U . . .
C3_16 C 0.21282(9) 0.98713(6) 0.58317(3) 0.0266(3) Uani 1 1 d . . . . .
H3_16 H 0.2241 0.9852 0.6055 0.032 Uiso 1 1 calc R U . . .
C4_16 C 0.17715(9) 1.02399(5) 0.57062(4) 0.0251(3) Uani 1 1 d . . . . .
C5_16 C 0.16269(10) 1.05849(6) 0.59096(4) 0.0370(4) Uani 1 1 d . . . . .
H5_16 H 0.1760 1.0571 0.6131 0.044 Uiso 1 1 calc R U . . .
C6_16 C 0.12928(13) 1.09418(6) 0.57871(5) 0.0455(5) Uani 1 1 d . . . . .
H6_16 H 0.1195 1.1166 0.5925 0.055 Uiso 1 1 calc R U . . .
C7_16 C 0.11009(12) 1.09646(6) 0.54520(5) 0.0416(5) Uani 1 1 d . . . . .
H7_16 H 0.0881 1.1207 0.5367 0.050 Uiso 1 1 calc R U . . .
C8_16 C 0.12350(10) 1.06313(5) 0.52476(4) 0.0303(3) Uani 1 1 d . . . . .
H8_16 H 0.1101 1.0652 0.5027 0.036 Uiso 1 1 calc R U . . .
C9_16 C 0.15721(8) 1.02579(4) 0.53668(3) 0.0205(3) Uani 1 1 d . . . . .
C10_16 C 0.17496(7) 0.99112(4) 0.51600(3) 0.0155(2) Uani 1 1 d . . . . .
C11_16 C 0.14666(7) 0.98901(4) 0.48285(3) 0.0168(2) Uani 1 1 d . . . . .
H11_16 H 0.1097 1.0076 0.4767 0.020 Uiso 1 1 calc R U . . .
C12_16 C 0.33896(7) 0.95447(4) 0.41611(3) 0.0170(2) Uani 1 1 d . . . . .
C13_16 C 0.34435(8) 0.97585(5) 0.38553(3) 0.0229(3) Uani 1 1 d . . . . .
H13_16 H 0.3034 0.9788 0.3718 0.028 Uiso 1 1 calc R U . . .
C14_16 C 0.40834(9) 0.99196(5) 0.37610(4) 0.0236(3) Uani 1 1 d . . . . .
H14_16 H 0.4103 1.0055 0.3560 0.028 Uiso 1 1 calc R U . . .
C15_16 C 0.47232(8) 0.98841(4) 0.39650(4) 0.0201(3) Uani 1 1 d . . . . .
C16_16 C 0.53770(9) 1.00745(5) 0.38753(4) 0.0264(3) Uani 1 1 d . . . . .
H16_16 H 0.5394 1.0217 0.3677 0.032 Uiso 1 1 calc R U . . .
C17_16 C 0.59867(9) 1.00505(5) 0.40788(5) 0.0307(3) Uani 1 1 d . . . . .
H17_16 H 0.6415 1.0173 0.4017 0.037 Uiso 1 1 calc R U . . .
C18_16 C 0.59567(8) 0.98403(5) 0.43800(4) 0.0266(3) Uani 1 1 d . . . . .
H18_16 H 0.6366 0.9826 0.4518 0.032 Uiso 1 1 calc R U . . .
C19_16 C 0.53252(8) 0.96544(4) 0.44727(4) 0.0206(3) Uani 1 1 d . . . . .
H19_16 H 0.5315 0.9519 0.4674 0.025 Uiso 1 1 calc R U . . .
C20_16 C 0.46926(7) 0.96661(4) 0.42661(3) 0.0172(2) Uani 1 1 d . . . . .
C21_16 C 0.40222(7) 0.94807(4) 0.43571(3) 0.0152(2) Uani 1 1 d . . . . .
C22_16 C 0.40074(7) 0.91793(4) 0.46189(3) 0.0155(2) Uani 1 1 d . . . . .
H22_16 H 0.4446 0.9077 0.4703 0.019 Uiso 1 1 calc R U . . .
C23_16 C 0.12600(7) 0.95873(5) 0.42956(3) 0.0200(2) Uani 1 1 d . . . . .
H23_16 H 0.1561 0.9421 0.4153 0.024 Uiso 1 1 calc R U . . .
C24_16 C 0.11486(10) 1.00097(6) 0.41266(4) 0.0346(4) Uani 1 1 d . . . . .
H24A_16 H 0.0865 1.0189 0.4259 0.052 Uiso 1 1 calc R U . . .
H24B_16 H 0.0903 0.9968 0.3918 0.052 Uiso 1 1 calc R U . . .
H24C_16 H 0.1608 1.0139 0.4096 0.052 Uiso 1 1 calc R U . . .
C25_16 C 0.05638(8) 0.93215(6) 0.43366(4) 0.0236(3) Uani 1 1 d . . . . .
C26_16 C -0.00480(8) 0.95707(6) 0.44804(4) 0.0310(3) Uani 1 1 d . . . . .
H26A_16 H -0.0172 0.9805 0.4340 0.046 Uiso 1 1 calc R U . . .
H26B_16 H 0.0103 0.9673 0.4693 0.046 Uiso 1 1 calc R U . . .
H26C_16 H -0.0460 0.9391 0.4498 0.046 Uiso 1 1 calc R U . . .
C27_16 C 0.07441(9) 0.89350(5) 0.45518(4) 0.0312(3) Uani 1 1 d . . . . .
H27A_16 H 0.0880 0.9026 0.4769 0.047 Uiso 1 1 calc R U . . .
H27B_16 H 0.1136 0.8782 0.4462 0.047 Uiso 1 1 calc R U . . .
H27C_16 H 0.0329 0.8755 0.4558 0.047 Uiso 1 1 calc R U . . .
C28_16 C 0.03042(10) 0.91634(8) 0.39976(4) 0.0459(5) Uani 1 1 d . . . . .
H28A_16 H -0.0107 0.8984 0.4018 0.069 Uiso 1 1 calc R U . . .
H28B_16 H 0.0684 0.9008 0.3901 0.069 Uiso 1 1 calc R U . . .
H28C_16 H 0.0173 0.9400 0.3861 0.069 Uiso 1 1 calc R U . . .
C29_16 C 0.34643(7) 0.86573(4) 0.49555(3) 0.0157(2) Uani 1 1 d . . . . .
H29_16 H 0.3001 0.8642 0.5060 0.019 Uiso 1 1 calc R U . . .
C30_16 C 0.40363(8) 0.86984(5) 0.52333(3) 0.0233(3) Uani 1 1 d . . . . .
H30A_16 H 0.4507 0.8690 0.5145 0.035 Uiso 1 1 calc R U . . .
H30B_16 H 0.3988 0.8469 0.5384 0.035 Uiso 1 1 calc R U . . .
H30C_16 H 0.3973 0.8961 0.5345 0.035 Uiso 1 1 calc R U . . .
C31_16 C 0.35122(8) 0.82509(4) 0.47454(3) 0.0193(2) Uani 1 1 d . . . . .
C32_16 C 0.28454(10) 0.82346(5) 0.45088(4) 0.0304(3) Uani 1 1 d . . . . .
H32A_16 H 0.2847 0.7976 0.4388 0.046 Uiso 1 1 calc R U . . .
H32B_16 H 0.2857 0.8469 0.4361 0.046 Uiso 1 1 calc R U . . .
H32C_16 H 0.2417 0.8249 0.4631 0.046 Uiso 1 1 calc R U . . .
C33_16 C 0.34945(9) 0.78690(5) 0.49743(4) 0.0275(3) Uani 1 1 d . . . . .
H33A_16 H 0.3430 0.7616 0.4847 0.041 Uiso 1 1 calc R U . . .
H33B_16 H 0.3103 0.7899 0.5118 0.041 Uiso 1 1 calc R U . . .
H33C_16 H 0.3940 0.7853 0.5101 0.041 Uiso 1 1 calc R U . . .
C34_16 C 0.41918(9) 0.82240(5) 0.45489(4) 0.0278(3) Uani 1 1 d . . . . .
H34A_16 H 0.4205 0.7957 0.4439 0.042 Uiso 1 1 calc R U . . .
H34B_16 H 0.4610 0.8252 0.4694 0.042 Uiso 1 1 calc R U . . .
H34C_16 H 0.4188 0.8447 0.4390 0.042 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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_1 O1_1 1.8522(10) . ?
Ni1_1 O2_1 1.8575(10) . ?
Ni1_1 N2_1 1.8841(12) . ?
Ni1_1 N1_1 1.8861(12) . ?
O1_1 C1_1 1.3002(16) . ?
O2_1 C12_1 1.3103(16) . ?
N1_1 C11_1 1.2932(16) . ?
N1_1 C23_1 1.4834(17) . ?
N2_1 C22_1 1.2974(16) . ?
N2_1 C29_1 1.4844(17) . ?
C1_1 C10_1 1.4104(19) . ?
C1_1 C2_1 1.4340(18) . ?
C2_1 C3_1 1.363(2) . ?
C2_1 H2_1 0.9300 . ?
C3_1 C4_1 1.431(2) . ?
C3_1 H3_1 0.9300 . ?
C4_1 C5_1 1.410(2) . ?
C4_1 C9_1 1.4212(19) . ?
C5_1 C6_1 1.369(3) . ?
C5_1 H5_1 0.9300 . ?
C6_1 C7_1 1.402(2) . ?
C6_1 H6_1 0.9300 . ?
C7_1 C8_1 1.378(2) . ?
C7_1 H7_1 0.9300 . ?
C8_1 C9_1 1.420(2) . ?
C8_1 H8_1 0.9300 . ?
C9_1 C10_1 1.4342(17) . ?
C10_1 C11_1 1.4348(18) . ?
C11_1 H11_1 0.9300 . ?
C12_1 C21_1 1.410(2) . ?
C12_1 C13_1 1.4298(19) . ?
C13_1 C14_1 1.369(2) . ?
C13_1 H13_1 0.9300 . ?
C14_1 C15_1 1.425(2) . ?
C14_1 H14_1 0.9300 . ?
C15_1 C20_1 1.4173(19) . ?
C15_1 C16_1 1.420(2) . ?
C16_1 C17_1 1.375(3) . ?
C16_1 H16_1 0.9300 . ?
C17_1 C18_1 1.409(2) . ?
C17_1 H17_1 0.9300 . ?
C18_1 C19_1 1.378(2) . ?
C18_1 H18_1 0.9300 . ?
C19_1 C20_1 1.418(2) . ?
C19_1 H19_1 0.9300 . ?
C20_1 C21_1 1.4411(18) . ?
C21_1 C22_1 1.4376(18) . ?
C22_1 H22_1 0.9300 . ?
C23_1 C24_1 1.521(2) . ?
C23_1 C25_1 1.560(2) . ?
C23_1 H23_1 0.9800 . ?
C24_1 H24A_1 0.9600 . ?
C24_1 H24B_1 0.9600 . ?
C24_1 H24C_1 0.9600 . ?
C25_1 C27_1 1.521(2) . ?
C25_1 C28_1 1.535(2) . ?
C25_1 C26_1 1.540(2) . ?
C26_1 H26A_1 0.9600 . ?
C26_1 H26B_1 0.9600 . ?
C26_1 H26C_1 0.9600 . ?
C27_1 H27A_1 0.9600 . ?
C27_1 H27B_1 0.9600 . ?
C27_1 H27C_1 0.9600 . ?
C28_1 H28A_1 0.9600 . ?
C28_1 H28B_1 0.9600 . ?
C28_1 H28C_1 0.9600 . ?
C29_1 C30_1 1.528(2) . ?
C29_1 C31_1 1.5558(18) . ?
C29_1 H29_1 0.9800 . ?
C30_1 H30A_1 0.9600 . ?
C30_1 H30B_1 0.9600 . ?
C30_1 H30C_1 0.9600 . ?
C31_1 C33_1 1.5323(19) . ?
C31_1 C32_1 1.536(2) . ?
C31_1 C34_1 1.539(2) . ?
C32_1 H32A_1 0.9600 . ?
C32_1 H32B_1 0.9600 . ?
C32_1 H32C_1 0.9600 . ?
C33_1 H33A_1 0.9600 . ?
C33_1 H33B_1 0.9600 . ?
C33_1 H33C_1 0.9600 . ?
C34_1 H34A_1 0.9600 . ?
C34_1 H34B_1 0.9600 . ?
C34_1 H34C_1 0.9600 . ?
Ni2_2 O3_2 1.8538(10) . ?
Ni2_2 O4_2 1.8544(10) . ?
Ni2_2 N4_2 1.8875(12) . ?
Ni2_2 N3_2 1.8963(12) . ?
O3_2 C1_2 1.2993(16) . ?
O4_2 C12_2 1.3071(17) . ?
N3_2 C11_2 1.2930(16) . ?
N3_2 C23_2 1.4822(17) . ?
N4_2 C22_2 1.2987(17) . ?
N4_2 C29_2 1.4866(17) . ?
C1_2 C10_2 1.4050(18) . ?
C1_2 C2_2 1.4426(18) . ?
C2_2 C3_2 1.361(2) . ?
C2_2 H2_2 0.9300 . ?
C3_2 C4_2 1.427(2) . ?
C3_2 H3_2 0.9300 . ?
C4_2 C5_2 1.4097(19) . ?
C4_2 C9_2 1.4253(18) . ?
C5_2 C6_2 1.372(2) . ?
C5_2 H5_2 0.9300 . ?
C6_2 C7_2 1.406(2) . ?
C6_2 H6_2 0.9300 . ?
C7_2 C8_2 1.3797(19) . ?
C7_2 H7_2 0.9300 . ?
C8_2 C9_2 1.415(2) . ?
C8_2 H8_2 0.9300 . ?
C9_2 C10_2 1.4331(17) . ?
C10_2 C11_2 1.4399(18) . ?
C11_2 H11_2 0.9300 . ?
C12_2 C21_2 1.410(2) . ?
C12_2 C13_2 1.4353(19) . ?
C13_2 C14_2 1.364(2) . ?
C13_2 H13_2 0.9300 . ?
C14_2 C15_2 1.428(2) . ?
C14_2 H14_2 0.9300 . ?
C15_2 C20_2 1.416(2) . ?
C15_2 C16_2 1.420(2) . ?
C16_2 C17_2 1.380(3) . ?
C16_2 H16_2 0.9300 . ?
C17_2 C18_2 1.403(2) . ?
C17_2 H17_2 0.9300 . ?
C18_2 C19_2 1.381(2) . ?
C18_2 H18_2 0.9300 . ?
C19_2 C20_2 1.419(2) . ?
C19_2 H19_2 0.9300 . ?
C20_2 C21_2 1.4449(19) . ?
C21_2 C22_2 1.4338(18) . ?
C22_2 H22_2 0.9300 . ?
C23_2 C24_2 1.527(2) . ?
C23_2 C25_2 1.561(2) . ?
C23_2 H23_2 0.9800 . ?
C24_2 H24A_2 0.9600 . ?
C24_2 H24B_2 0.9600 . ?
C24_2 H24C_2 0.9600 . ?
C25_2 C26_2 1.528(2) . ?
C25_2 C28_2 1.532(2) . ?
C25_2 C27_2 1.534(3) . ?
C26_2 H26A_2 0.9600 . ?
C26_2 H26B_2 0.9600 . ?
C26_2 H26C_2 0.9600 . ?
C27_2 H27A_2 0.9600 . ?
C27_2 H27B_2 0.9600 . ?
C27_2 H27C_2 0.9600 . ?
C28_2 H28A_2 0.9600 . ?
C28_2 H28B_2 0.9600 . ?
C28_2 H28C_2 0.9600 . ?
C29_2 C30_2 1.529(2) . ?
C29_2 C31_2 1.5507(19) . ?
C29_2 H29_2 0.9800 . ?
C30_2 H30A_2 0.9600 . ?
C30_2 H30B_2 0.9600 . ?
C30_2 H30C_2 0.9600 . ?
C31_2 C33_2 1.531(2) . ?
C31_2 C34_2 1.532(2) . ?
C31_2 C32_2 1.539(2) . ?
C32_2 H32A_2 0.9600 . ?
C32_2 H32B_2 0.9600 . ?
C32_2 H32C_2 0.9600 . ?
C33_2 H33A_2 0.9600 . ?
C33_2 H33B_2 0.9600 . ?
C33_2 H33C_2 0.9600 . ?
C34_2 H34A_2 0.9600 . ?
C34_2 H34B_2 0.9600 . ?
C34_2 H34C_2 0.9600 . ?
Ni3_3 O6_3 1.8553(10) . ?
Ni3_3 O5_3 1.8593(10) . ?
Ni3_3 N6_3 1.8818(12) . ?
Ni3_3 N5_3 1.8971(12) . ?
O5_3 C1_3 1.3031(16) . ?
O6_3 C12_3 1.3090(17) . ?
N5_3 C11_3 1.2929(16) . ?
N5_3 C23_3 1.4786(17) . ?
N6_3 C22_3 1.2995(16) . ?
N6_3 C29_3 1.4828(17) . ?
C1_3 C10_3 1.4059(18) . ?
C1_3 C2_3 1.4385(18) . ?
C2_3 C3_3 1.3614(19) . ?
C2_3 H2_3 0.9300 . ?
C3_3 C4_3 1.429(2) . ?
C3_3 H3_3 0.9300 . ?
C4_3 C5_3 1.4110(19) . ?
C4_3 C9_3 1.4269(18) . ?
C5_3 C6_3 1.374(2) . ?
C5_3 H5_3 0.9300 . ?
C6_3 C7_3 1.408(2) . ?
C6_3 H6_3 0.9300 . ?
C7_3 C8_3 1.3755(19) . ?
C7_3 H7_3 0.9300 . ?
C8_3 C9_3 1.417(2) . ?
C8_3 H8_3 0.9300 . ?
C9_3 C10_3 1.4303(17) . ?
C10_3 C11_3 1.4391(18) . ?
C11_3 H11_3 0.9300 . ?
C12_3 C21_3 1.411(2) . ?
C12_3 C13_3 1.4350(19) . ?
C13_3 C14_3 1.366(2) . ?
C13_3 H13_3 0.9300 . ?
C14_3 C15_3 1.427(2) . ?
C14_3 H14_3 0.9300 . ?
C15_3 C20_3 1.413(2) . ?
C15_3 C16_3 1.420(2) . ?
C16_3 C17_3 1.376(3) . ?
C16_3 H16_3 0.9300 . ?
C17_3 C18_3 1.404(3) . ?
C17_3 H17_3 0.9300 . ?
C18_3 C19_3 1.384(2) . ?
C18_3 H18_3 0.9300 . ?
C19_3 C20_3 1.415(2) . ?
C19_3 H19_3 0.9300 . ?
C20_3 C21_3 1.4460(19) . ?
C21_3 C22_3 1.4321(18) . ?
C22_3 H22_3 0.9300 . ?
C23_3 C24_3 1.525(2) . ?
C23_3 C25_3 1.560(2) . ?
C23_3 H23_3 0.9800 . ?
C24_3 H24A_3 0.9600 . ?
C24_3 H24B_3 0.9600 . ?
C24_3 H24C_3 0.9600 . ?
C25_3 C27_3 1.528(3) . ?
C25_3 C26_3 1.531(2) . ?
C25_3 C28_3 1.533(2) . ?
C26_3 H26A_3 0.9600 . ?
C26_3 H26B_3 0.9600 . ?
C26_3 H26C_3 0.9600 . ?
C27_3 H27A_3 0.9600 . ?
C27_3 H27B_3 0.9600 . ?
C27_3 H27C_3 0.9600 . ?
C28_3 H28A_3 0.9600 . ?
C28_3 H28B_3 0.9600 . ?
C28_3 H28C_3 0.9600 . ?
C29_3 C30_3 1.530(2) . ?
C29_3 C31_3 1.5527(19) . ?
C29_3 H29_3 0.9800 . ?
C30_3 H30A_3 0.9600 . ?
C30_3 H30B_3 0.9600 . ?
C30_3 H30C_3 0.9600 . ?
C31_3 C33_3 1.529(2) . ?
C31_3 C32_3 1.536(2) . ?
C31_3 C34_3 1.537(2) . ?
C32_3 H32A_3 0.9600 . ?
C32_3 H32B_3 0.9600 . ?
C32_3 H32C_3 0.9600 . ?
C33_3 H33A_3 0.9600 . ?
C33_3 H33B_3 0.9600 . ?
C33_3 H33C_3 0.9600 . ?
C34_3 H34A_3 0.9600 . ?
C34_3 H34B_3 0.9600 . ?
C34_3 H34C_3 0.9600 . ?
Ni4_4 O8_4 1.8507(10) . ?
Ni4_4 O7_4 1.8565(10) . ?
Ni4_4 N8_4 1.8901(12) . ?
Ni4_4 N7_4 1.9038(12) . ?
O7_4 C1_4 1.3031(16) . ?
O8_4 C12_4 1.3071(16) . ?
N7_4 C11_4 1.2958(16) . ?
N7_4 C23_4 1.4839(16) . ?
N8_4 C22_4 1.2976(17) . ?
N8_4 C29_4 1.4886(17) . ?
C1_4 C10_4 1.4052(18) . ?
C1_4 C2_4 1.4383(18) . ?
C2_4 C3_4 1.3602(19) . ?
C2_4 H2_4 0.9300 . ?
C3_4 C4_4 1.432(2) . ?
C3_4 H3_4 0.9300 . ?
C4_4 C5_4 1.4083(19) . ?
C4_4 C9_4 1.4278(18) . ?
C5_4 C6_4 1.371(2) . ?
C5_4 H5_4 0.9300 . ?
C6_4 C7_4 1.409(2) . ?
C6_4 H6_4 0.9300 . ?
C7_4 C8_4 1.3752(18) . ?
C7_4 H7_4 0.9300 . ?
C8_4 C9_4 1.4170(18) . ?
C8_4 H8_4 0.9300 . ?
C9_4 C10_4 1.4356(17) . ?
C10_4 C11_4 1.4458(17) . ?
C11_4 H11_4 0.9300 . ?
C12_4 C21_4 1.4073(19) . ?
C12_4 C13_4 1.4325(18) . ?
C13_4 C14_4 1.366(2) . ?
C13_4 H13_4 0.9300 . ?
C14_4 C15_4 1.429(2) . ?
C14_4 H14_4 0.9300 . ?
C15_4 C16_4 1.4165(19) . ?
C15_4 C20_4 1.4168(18) . ?
C16_4 C17_4 1.376(2) . ?
C16_4 H16_4 0.9300 . ?
C17_4 C18_4 1.405(2) . ?
C17_4 H17_4 0.9300 . ?
C18_4 C19_4 1.3789(19) . ?
C18_4 H18_4 0.9300 . ?
C19_4 C20_4 1.415(2) . ?
C19_4 H19_4 0.9300 . ?
C20_4 C21_4 1.4461(18) . ?
C21_4 C22_4 1.4346(17) . ?
C22_4 H22_4 0.9300 . ?
C23_4 C24_4 1.532(2) . ?
C23_4 C25_4 1.5564(19) . ?
C23_4 H23_4 0.9800 . ?
C24_4 H24A_4 0.9600 . ?
C24_4 H24B_4 0.9600 . ?
C24_4 H24C_4 0.9600 . ?
C25_4 C26_4 1.518(2) . ?
C25_4 C27_4 1.532(2) . ?
C25_4 C28_4 1.535(2) . ?
C26_4 H26A_4 0.9600 . ?
C26_4 H26B_4 0.9600 . ?
C26_4 H26C_4 0.9600 . ?
C27_4 H27A_4 0.9600 . ?
C27_4 H27B_4 0.9600 . ?
C27_4 H27C_4 0.9600 . ?
C28_4 H28A_4 0.9600 . ?
C28_4 H28B_4 0.9600 . ?
C28_4 H28C_4 0.9600 . ?
C29_4 C30_4 1.536(2) . ?
C29_4 C31_4 1.5505(19) . ?
C29_4 H29_4 0.9800 . ?
C30_4 H30A_4 0.9600 . ?
C30_4 H30B_4 0.9600 . ?
C30_4 H30C_4 0.9600 . ?
C31_4 C33_4 1.529(2) . ?
C31_4 C34_4 1.536(2) . ?
C31_4 C32_4 1.537(2) . ?
C32_4 H32A_4 0.9600 . ?
C32_4 H32B_4 0.9600 . ?
C32_4 H32C_4 0.9600 . ?
C33_4 H33A_4 0.9600 . ?
C33_4 H33B_4 0.9600 . ?
C33_4 H33C_4 0.9600 . ?
C34_4 H34A_4 0.9600 . ?
C34_4 H34B_4 0.9600 . ?
C34_4 H34C_4 0.9600 . ?
Ni5_5 O9_5 1.8557(10) . ?
Ni5_5 O10_5 1.8560(10) . ?
Ni5_5 N10_5 1.8842(12) . ?
Ni5_5 N9_5 1.8931(12) . ?
O9_5 C1_5 1.3003(16) . ?
O10_5 C12_5 1.3089(16) . ?
N9_5 C11_5 1.2946(16) . ?
N9_5 C23_5 1.4871(17) . ?
N10_5 C22_5 1.2991(16) . ?
N10_5 C29_5 1.4857(17) . ?
C1_5 C10_5 1.4066(19) . ?
C1_5 C2_5 1.4375(18) . ?
C2_5 C3_5 1.358(2) . ?
C2_5 H2_5 0.9300 . ?
C3_5 C4_5 1.429(2) . ?
C3_5 H3_5 0.9300 . ?
C4_5 C5_5 1.414(2) . ?
C4_5 C9_5 1.421(2) . ?
C5_5 C6_5 1.370(3) . ?
C5_5 H5_5 0.9300 . ?
C6_5 C7_5 1.395(3) . ?
C6_5 H6_5 0.9300 . ?
C7_5 C8_5 1.375(2) . ?
C7_5 H7_5 0.9300 . ?
C8_5 C9_5 1.421(2) . ?
C8_5 H8_5 0.9300 . ?
C9_5 C10_5 1.4328(17) . ?
C10_5 C11_5 1.4372(18) . ?
C11_5 H11_5 0.9300 . ?
C12_5 C21_5 1.4082(19) . ?
C12_5 C13_5 1.4286(18) . ?
C13_5 C14_5 1.366(2) . ?
C13_5 H13_5 0.9300 . ?
C14_5 C15_5 1.429(2) . ?
C14_5 H14_5 0.9300 . ?
C15_5 C20_5 1.4147(18) . ?
C15_5 C16_5 1.4155(19) . ?
C16_5 C17_5 1.378(2) . ?
C16_5 H16_5 0.9300 . ?
C17_5 C18_5 1.409(2) . ?
C17_5 H17_5 0.9300 . ?
C18_5 C19_5 1.3801(19) . ?
C18_5 H18_5 0.9300 . ?
C19_5 C20_5 1.419(2) . ?
C19_5 H19_5 0.9300 . ?
C20_5 C21_5 1.4441(17) . ?
C21_5 C22_5 1.4357(18) . ?
C22_5 H22_5 0.9300 . ?
C23_5 C24_5 1.523(2) . ?
C23_5 C25_5 1.555(2) . ?
C23_5 H23_5 0.9800 . ?
C24_5 H24A_5 0.9600 . ?
C24_5 H24B_5 0.9600 . ?
C24_5 H24C_5 0.9600 . ?
C25_5 C26_5 1.518(2) . ?
C25_5 C28_5 1.529(2) . ?
C25_5 C27_5 1.537(3) . ?
C26_5 H26A_5 0.9600 . ?
C26_5 H26B_5 0.9600 . ?
C26_5 H26C_5 0.9600 . ?
C27_5 H27A_5 0.9600 . ?
C27_5 H27B_5 0.9600 . ?
C27_5 H27C_5 0.9600 . ?
C28_5 H28A_5 0.9600 . ?
C28_5 H28B_5 0.9600 . ?
C28_5 H28C_5 0.9600 . ?
C29_5 C30_5 1.531(2) . ?
C29_5 C31_5 1.5586(19) . ?
C29_5 H29_5 0.9800 . ?
C30_5 H30A_5 0.9600 . ?
C30_5 H30B_5 0.9600 . ?
C30_5 H30C_5 0.9600 . ?
C31_5 C34_5 1.527(2) . ?
C31_5 C32_5 1.536(2) . ?
C31_5 C33_5 1.536(2) . ?
C32_5 H32A_5 0.9600 . ?
C32_5 H32B_5 0.9600 . ?
C32_5 H32C_5 0.9600 . ?
C33_5 H33A_5 0.9600 . ?
C33_5 H33B_5 0.9600 . ?
C33_5 H33C_5 0.9600 . ?
C34_5 H34A_5 0.9600 . ?
C34_5 H34B_5 0.9600 . ?
C34_5 H34C_5 0.9600 . ?
Ni6_6 O11_6 1.8530(10) . ?
Ni6_6 O12_6 1.8552(10) . ?
Ni6_6 N12_6 1.8854(12) . ?
Ni6_6 N11_6 1.9025(12) . ?
O11_6 C1_6 1.2994(16) . ?
O12_6 C12_6 1.3090(17) . ?
N11_6 C11_6 1.2954(16) . ?
N11_6 C23_6 1.4838(17) . ?
N12_6 C22_6 1.2990(17) . ?
N12_6 C29_6 1.4892(17) . ?
C1_6 C10_6 1.4053(19) . ?
C1_6 C2_6 1.4434(19) . ?
C2_6 C3_6 1.359(2) . ?
C2_6 H2_6 0.9300 . ?
C3_6 C4_6 1.427(2) . ?
C3_6 H3_6 0.9300 . ?
C4_6 C5_6 1.409(2) . ?
C4_6 C9_6 1.428(2) . ?
C5_6 C6_6 1.371(3) . ?
C5_6 H5_6 0.9300 . ?
C6_6 C7_6 1.409(3) . ?
C6_6 H6_6 0.9300 . ?
C7_6 C8_6 1.378(2) . ?
C7_6 H7_6 0.9300 . ?
C8_6 C9_6 1.414(2) . ?
C8_6 H8_6 0.9300 . ?
C9_6 C10_6 1.4316(18) . ?
C10_6 C11_6 1.4383(18) . ?
C11_6 H11_6 0.9300 . ?
C12_6 C21_6 1.411(2) . ?
C12_6 C13_6 1.4314(19) . ?
C13_6 C14_6 1.365(2) . ?
C13_6 H13_6 0.9300 . ?
C14_6 C15_6 1.426(2) . ?
C14_6 H14_6 0.9300 . ?
C15_6 C16_6 1.416(2) . ?
C15_6 C20_6 1.4157(19) . ?
C16_6 C17_6 1.378(3) . ?
C16_6 H16_6 0.9300 . ?
C17_6 C18_6 1.407(2) . ?
C17_6 H17_6 0.9300 . ?
C18_6 C19_6 1.381(2) . ?
C18_6 H18_6 0.9300 . ?
C19_6 C20_6 1.418(2) . ?
C19_6 H19_6 0.9300 . ?
C20_6 C21_6 1.4459(19) . ?
C21_6 C22_6 1.4365(18) . ?
C22_6 H22_6 0.9300 . ?
C23_6 C24_6 1.530(2) . ?
C23_6 C25_6 1.556(2) . ?
C23_6 H23_6 0.9800 . ?
C24_6 H24A_6 0.9600 . ?
C24_6 H24B_6 0.9600 . ?
C24_6 H24C_6 0.9600 . ?
C25_6 C27_6 1.527(3) . ?
C25_6 C26_6 1.532(2) . ?
C25_6 C28_6 1.537(2) . ?
C26_6 H26A_6 0.9600 . ?
C26_6 H26B_6 0.9600 . ?
C26_6 H26C_6 0.9600 . ?
C27_6 H27A_6 0.9600 . ?
C27_6 H27B_6 0.9600 . ?
C27_6 H27C_6 0.9600 . ?
C28_6 H28A_6 0.9600 . ?
C28_6 H28B_6 0.9600 . ?
C28_6 H28C_6 0.9600 . ?
C29_6 C30_6 1.533(2) . ?
C29_6 C31_6 1.5530(19) . ?
C29_6 H29_6 0.9800 . ?
C30_6 H30A_6 0.9600 . ?
C30_6 H30B_6 0.9600 . ?
C30_6 H30C_6 0.9600 . ?
C31_6 C33_6 1.531(2) . ?
C31_6 C32_6 1.535(2) . ?
C31_6 C34_6 1.535(2) . ?
C32_6 H32A_6 0.9600 . ?
C32_6 H32B_6 0.9600 . ?
C32_6 H32C_6 0.9600 . ?
C33_6 H33A_6 0.9600 . ?
C33_6 H33B_6 0.9600 . ?
C33_6 H33C_6 0.9600 . ?
C34_6 H34A_6 0.9600 . ?
C34_6 H34B_6 0.9600 . ?
C34_6 H34C_6 0.9600 . ?
Ni7_7 O14_7 1.8514(11) . ?
Ni7_7 O13_7 1.8517(11) . ?
Ni7_7 N14_7 1.8903(13) . ?
Ni7_7 N13_7 1.8988(13) . ?
O13_7 C1_7 1.3020(16) . ?
O14_7 C12_7 1.3073(18) . ?
N13_7 C11_7 1.2980(17) . ?
N13_7 C23_7 1.484(2) . ?
N14_7 C22_7 1.2943(17) . ?
N14_7 C29_7 1.4864(17) . ?
C1_7 C10_7 1.4059(19) . ?
C1_7 C2_7 1.439(2) . ?
C2_7 C3_7 1.362(2) . ?
C2_7 H2_7 0.9300 . ?
C3_7 C4_7 1.429(2) . ?
C3_7 H3_7 0.9300 . ?
C4_7 C5_7 1.411(2) . ?
C4_7 C9_7 1.423(2) . ?
C5_7 C6_7 1.373(3) . ?
C5_7 H5_7 0.9300 . ?
C6_7 C7_7 1.405(2) . ?
C6_7 H6_7 0.9300 . ?
C7_7 C8_7 1.382(2) . ?
C7_7 H7_7 0.9300 . ?
C8_7 C9_7 1.415(2) . ?
C8_7 H8_7 0.9300 . ?
C9_7 C10_7 1.4353(18) . ?
C10_7 C11_7 1.4390(19) . ?
C11_7 H11_7 0.9300 . ?
C12_7 C21_7 1.410(2) . ?
C12_7 C13_7 1.437(2) . ?
C13_7 C14_7 1.363(2) . ?
C13_7 H13_7 0.9300 . ?
C14_7 C15_7 1.427(3) . ?
C14_7 H14_7 0.9300 . ?
C15_7 C20_7 1.418(2) . ?
C15_7 C16_7 1.421(2) . ?
C16_7 C17_7 1.370(3) . ?
C16_7 H16_7 0.9300 . ?
C17_7 C18_7 1.405(3) . ?
C17_7 H17_7 0.9300 . ?
C18_7 C19_7 1.380(2) . ?
C18_7 H18_7 0.9300 . ?
C19_7 C20_7 1.417(2) . ?
C19_7 H19_7 0.9300 . ?
C20_7 C21_7 1.4408(19) . ?
C21_7 C22_7 1.4334(18) . ?
C22_7 H22_7 0.9300 . ?
C23_7 C24_7 1.542(3) . ?
C23_7 C25_7 1.548(3) . ?
C23_7 H23_7 0.9800 . ?
C24_7 H24A_7 0.9600 . ?
C24_7 H24B_7 0.9600 . ?
C24_7 H24C_7 0.9600 . ?
C25_7 C26_7 1.517(3) . ?
C25_7 C28_7 1.528(4) . ?
C25_7 C27_7 1.529(3) . ?
C26_7 H26A_7 0.9600 . ?
C26_7 H26B_7 0.9600 . ?
C26_7 H26C_7 0.9600 . ?
C27_7 H27A_7 0.9600 . ?
C27_7 H27B_7 0.9600 . ?
C27_7 H27C_7 0.9600 . ?
C28_7 H28A_7 0.9600 . ?
C28_7 H28B_7 0.9600 . ?
C28_7 H28C_7 0.9600 . ?
C29_7 C30_7 1.529(2) . ?
C29_7 C31_7 1.5544(19) . ?
C29_7 H29_7 0.9800 . ?
C30_7 H30A_7 0.9600 . ?
C30_7 H30B_7 0.9600 . ?
C30_7 H30C_7 0.9600 . ?
C31_7 C34_7 1.531(2) . ?
C31_7 C32_7 1.533(3) . ?
C31_7 C33_7 1.536(2) . ?
C32_7 H32A_7 0.9600 . ?
C32_7 H32B_7 0.9600 . ?
C32_7 H32C_7 0.9600 . ?
C33_7 H33A_7 0.9600 . ?
C33_7 H33B_7 0.9600 . ?
C33_7 H33C_7 0.9600 . ?
C34_7 H34A_7 0.9600 . ?
C34_7 H34B_7 0.9600 . ?
C34_7 H34C_7 0.9600 . ?
Ni8_8 O16_8 1.8549(10) . ?
Ni8_8 O15_8 1.8578(10) . ?
Ni8_8 N16_8 1.8835(12) . ?
Ni8_8 N15_8 1.8979(12) . ?
O15_8 C1_8 1.3061(16) . ?
O16_8 C12_8 1.3083(17) . ?
N15_8 C11_8 1.2923(16) . ?
N15_8 C23_8 1.4806(17) . ?
N16_8 C22_8 1.2986(17) . ?
N16_8 C29_8 1.4846(17) . ?
C1_8 C10_8 1.4040(18) . ?
C1_8 C2_8 1.4385(18) . ?
C2_8 C3_8 1.3634(19) . ?
C2_8 H2_8 0.9300 . ?
C3_8 C4_8 1.429(2) . ?
C3_8 H3_8 0.9300 . ?
C4_8 C5_8 1.4118(18) . ?
C4_8 C9_8 1.4280(18) . ?
C5_8 C6_8 1.375(2) . ?
C5_8 H5_8 0.9300 . ?
C6_8 C7_8 1.410(2) . ?
C6_8 H6_8 0.9300 . ?
C7_8 C8_8 1.3748(19) . ?
C7_8 H7_8 0.9300 . ?
C8_8 C9_8 1.416(2) . ?
C8_8 H8_8 0.9300 . ?
C9_8 C10_8 1.4310(17) . ?
C10_8 C11_8 1.4429(17) . ?
C11_8 H11_8 0.9300 . ?
C12_8 C21_8 1.409(2) . ?
C12_8 C13_8 1.4354(19) . ?
C13_8 C14_8 1.365(2) . ?
C13_8 H13_8 0.9300 . ?
C14_8 C15_8 1.429(2) . ?
C14_8 H14_8 0.9300 . ?
C15_8 C20_8 1.414(2) . ?
C15_8 C16_8 1.419(2) . ?
C16_8 C17_8 1.375(3) . ?
C16_8 H16_8 0.9300 . ?
C17_8 C18_8 1.404(2) . ?
C17_8 H17_8 0.9300 . ?
C18_8 C19_8 1.384(2) . ?
C18_8 H18_8 0.9300 . ?
C19_8 C20_8 1.417(2) . ?
C19_8 H19_8 0.9300 . ?
C20_8 C21_8 1.4445(19) . ?
C21_8 C22_8 1.4321(18) . ?
C22_8 H22_8 0.9300 . ?
C23_8 C24_8 1.529(2) . ?
C23_8 C25_8 1.556(2) . ?
C23_8 H23_8 0.9800 . ?
C24_8 H24A_8 0.9600 . ?
C24_8 H24B_8 0.9600 . ?
C24_8 H24C_8 0.9600 . ?
C25_8 C28_8 1.528(2) . ?
C25_8 C26_8 1.530(2) . ?
C25_8 C27_8 1.538(2) . ?
C26_8 H26A_8 0.9600 . ?
C26_8 H26B_8 0.9600 . ?
C26_8 H26C_8 0.9600 . ?
C27_8 H27A_8 0.9600 . ?
C27_8 H27B_8 0.9600 . ?
C27_8 H27C_8 0.9600 . ?
C28_8 H28A_8 0.9600 . ?
C28_8 H28B_8 0.9600 . ?
C28_8 H28C_8 0.9600 . ?
C29_8 C30_8 1.531(2) . ?
C29_8 C31_8 1.5540(19) . ?
C29_8 H29_8 0.9800 . ?
C30_8 H30A_8 0.9600 . ?
C30_8 H30B_8 0.9600 . ?
C30_8 H30C_8 0.9600 . ?
C31_8 C33_8 1.532(2) . ?
C31_8 C34_8 1.534(2) . ?
C31_8 C32_8 1.536(2) . ?
C32_8 H32A_8 0.9600 . ?
C32_8 H32B_8 0.9600 . ?
C32_8 H32C_8 0.9600 . ?
C33_8 H33A_8 0.9600 . ?
C33_8 H33B_8 0.9600 . ?
C33_8 H33C_8 0.9600 . ?
C34_8 H34A_8 0.9600 . ?
C34_8 H34B_8 0.9600 . ?
C34_8 H34C_8 0.9600 . ?
Ni9_9 O18_9 1.8541(10) . ?
Ni9_9 O17_9 1.8569(10) . ?
Ni9_9 N17_9 1.8856(12) . ?
Ni9_9 N18_9 1.8963(12) . ?
O17_9 C1_9 1.3067(17) . ?
O18_9 C12_9 1.3003(16) . ?
N17_9 C11_9 1.2976(16) . ?
N17_9 C23_9 1.4851(17) . ?
N18_9 C22_9 1.2929(16) . ?
N18_9 C29_9 1.4831(17) . ?
C1_9 C10_9 1.410(2) . ?
C1_9 C2_9 1.4363(19) . ?
C2_9 C3_9 1.368(2) . ?
C2_9 H2_9 0.9300 . ?
C3_9 C4_9 1.424(2) . ?
C3_9 H3_9 0.9300 . ?
C4_9 C9_9 1.416(2) . ?
C4_9 C5_9 1.419(2) . ?
C5_9 C6_9 1.375(3) . ?
C5_9 H5_9 0.9300 . ?
C6_9 C7_9 1.404(2) . ?
C6_9 H6_9 0.9300 . ?
C7_9 C8_9 1.385(2) . ?
C7_9 H7_9 0.9300 . ?
C8_9 C9_9 1.416(2) . ?
C8_9 H8_9 0.9300 . ?
C9_9 C10_9 1.4454(18) . ?
C10_9 C11_9 1.4357(18) . ?
C11_9 H11_9 0.9300 . ?
C12_9 C21_9 1.4061(18) . ?
C12_9 C13_9 1.4399(17) . ?
C13_9 C14_9 1.3598(19) . ?
C13_9 H13_9 0.9300 . ?
C14_9 C15_9 1.428(2) . ?
C14_9 H14_9 0.9300 . ?
C15_9 C16_9 1.407(2) . ?
C15_9 C20_9 1.4274(18) . ?
C16_9 C17_9 1.373(2) . ?
C16_9 H16_9 0.9300 . ?
C17_9 C18_9 1.409(2) . ?
C17_9 H17_9 0.9300 . ?
C18_9 C19_9 1.375(2) . ?
C18_9 H18_9 0.9300 . ?
C19_9 C20_9 1.418(2) . ?
C19_9 H19_9 0.9300 . ?
C20_9 C21_9 1.4279(17) . ?
C21_9 C22_9 1.4414(18) . ?
C22_9 H22_9 0.9300 . ?
C23_9 C24_9 1.530(2) . ?
C23_9 C25_9 1.5526(19) . ?
C23_9 H23_9 0.9800 . ?
C24_9 H24A_9 0.9600 . ?
C24_9 H24B_9 0.9600 . ?
C24_9 H24C_9 0.9600 . ?
C25_9 C26_9 1.532(2) . ?
C25_9 C28_9 1.537(2) . ?
C25_9 C27_9 1.538(2) . ?
C26_9 H26A_9 0.9600 . ?
C26_9 H26B_9 0.9600 . ?
C26_9 H26C_9 0.9600 . ?
C27_9 H27A_9 0.9600 . ?
C27_9 H27B_9 0.9600 . ?
C27_9 H27C_9 0.9600 . ?
C28_9 H28A_9 0.9600 . ?
C28_9 H28B_9 0.9600 . ?
C28_9 H28C_9 0.9600 . ?
C29_9 C30_9 1.530(2) . ?
C29_9 C31_9 1.558(2) . ?
C29_9 H29_9 0.9800 . ?
C30_9 H30A_9 0.9600 . ?
C30_9 H30B_9 0.9600 . ?
C30_9 H30C_9 0.9600 . ?
C31_9 C34_9 1.531(2) . ?
C31_9 C33_9 1.533(2) . ?
C31_9 C32_9 1.534(2) . ?
C32_9 H32A_9 0.9600 . ?
C32_9 H32B_9 0.9600 . ?
C32_9 H32C_9 0.9600 . ?
C33_9 H33A_9 0.9600 . ?
C33_9 H33B_9 0.9600 . ?
C33_9 H33C_9 0.9600 . ?
C34_9 H34A_9 0.9600 . ?
C34_9 H34B_9 0.9600 . ?
C34_9 H34C_9 0.9600 . ?
Ni10_10 O19_10 1.8532(10) . ?
Ni10_10 O20_10 1.8533(10) . ?
Ni10_10 N19_10 1.8889(12) . ?
Ni10_10 N20_10 1.8967(12) . ?
O19_10 C1_10 1.3080(16) . ?
O20_10 C12_10 1.3029(16) . ?
N19_10 C11_10 1.2965(17) . ?
N19_10 C23_10 1.4878(17) . ?
N20_10 C22_10 1.2953(16) . ?
N20_10 C29_10 1.4836(17) . ?
C1_10 C10_10 1.4105(19) . ?
C1_10 C2_10 1.4295(18) . ?
C2_10 C3_10 1.366(2) . ?
C2_10 H2_10 0.9300 . ?
C3_10 C4_10 1.429(2) . ?
C3_10 H3_10 0.9300 . ?
C4_10 C5_10 1.415(2) . ?
C4_10 C9_10 1.4167(19) . ?
C5_10 C6_10 1.374(3) . ?
C5_10 H5_10 0.9300 . ?
C6_10 C7_10 1.404(2) . ?
C6_10 H6_10 0.9300 . ?
C7_10 C8_10 1.382(2) . ?
C7_10 H7_10 0.9300 . ?
C8_10 C9_10 1.415(2) . ?
C8_10 H8_10 0.9300 . ?
C9_10 C10_10 1.4426(18) . ?
C10_10 C11_10 1.4337(18) . ?
C11_10 H11_10 0.9300 . ?
C12_10 C21_10 1.4051(19) . ?
C12_10 C13_10 1.4393(19) . ?
C13_10 C14_10 1.358(2) . ?
C13_10 H13_10 0.9300 . ?
C14_10 C15_10 1.425(2) . ?
C14_10 H14_10 0.9300 . ?
C15_10 C16_10 1.414(2) . ?
C15_10 C20_10 1.424(2) . ?
C16_10 C17_10 1.366(3) . ?
C16_10 H16_10 0.9300 . ?
C17_10 C18_10 1.409(3) . ?
C17_10 H17_10 0.9300 . ?
C18_10 C19_10 1.377(2) . ?
C18_10 H18_10 0.9300 . ?
C19_10 C20_10 1.412(2) . ?
C19_10 H19_10 0.9300 . ?
C20_10 C21_10 1.4355(18) . ?
C21_10 C22_10 1.4390(18) . ?
C22_10 H22_10 0.9300 . ?
C23_10 C24_10 1.531(2) . ?
C23_10 C25_10 1.5523(19) . ?
C23_10 H23_10 0.9800 . ?
C24_10 H24A_10 0.9600 . ?
C24_10 H24B_10 0.9600 . ?
C24_10 H24C_10 0.9600 . ?
C25_10 C27_10 1.526(2) . ?
C25_10 C28_10 1.530(2) . ?
C25_10 C26_10 1.537(2) . ?
C26_10 H26A_10 0.9600 . ?
C26_10 H26B_10 0.9600 . ?
C26_10 H26C_10 0.9600 . ?
C27_10 H27A_10 0.9600 . ?
C27_10 H27B_10 0.9600 . ?
C27_10 H27C_10 0.9600 . ?
C28_10 H28A_10 0.9600 . ?
C28_10 H28B_10 0.9600 . ?
C28_10 H28C_10 0.9600 . ?
C29_10 C30_10 1.530(2) . ?
C29_10 C31_10 1.5582(19) . ?
C29_10 H29_10 0.9800 . ?
C30_10 H30A_10 0.9600 . ?
C30_10 H30B_10 0.9600 . ?
C30_10 H30C_10 0.9600 . ?
C31_10 C34_10 1.525(2) . ?
C31_10 C32_10 1.530(2) . ?
C31_10 C33_10 1.534(2) . ?
C32_10 H32A_10 0.9600 . ?
C32_10 H32B_10 0.9600 . ?
C32_10 H32C_10 0.9600 . ?
C33_10 H33A_10 0.9600 . ?
C33_10 H33B_10 0.9600 . ?
C33_10 H33C_10 0.9600 . ?
C34_10 H34A_10 0.9600 . ?
C34_10 H34B_10 0.9600 . ?
C34_10 H34C_10 0.9600 . ?
Ni11_11 O21_11 1.8532(10) . ?
Ni11_11 O22_11 1.8553(10) . ?
Ni11_11 N21_11 1.8873(12) . ?
Ni11_11 N22_11 1.9028(12) . ?
O21_11 C1_11 1.3100(17) . ?
O22_11 C12_11 1.3037(16) . ?
N21_11 C11_11 1.2995(17) . ?
N21_11 C23_11 1.4867(17) . ?
N22_11 C22_11 1.2934(16) . ?
N22_11 C29_11 1.4812(17) . ?
C1_11 C10_11 1.409(2) . ?
C1_11 C2_11 1.4281(19) . ?
C2_11 C3_11 1.364(2) . ?
C2_11 H2_11 0.9300 . ?
C3_11 C4_11 1.430(2) . ?
C3_11 H3_11 0.9300 . ?
C4_11 C5_11 1.416(2) . ?
C4_11 C9_11 1.4169(19) . ?
C5_11 C6_11 1.377(3) . ?
C5_11 H5_11 0.9300 . ?
C6_11 C7_11 1.407(2) . ?
C6_11 H6_11 0.9300 . ?
C7_11 C8_11 1.382(2) . ?
C7_11 H7_11 0.9300 . ?
C8_11 C9_11 1.417(2) . ?
C8_11 H8_11 0.9300 . ?
C9_11 C10_11 1.4465(18) . ?
C10_11 C11_11 1.4336(18) . ?
C11_11 H11_11 0.9300 . ?
C12_11 C21_11 1.4066(18) . ?
C12_11 C13_11 1.4363(18) . ?
C13_11 C14_11 1.359(2) . ?
C13_11 H13_11 0.9300 . ?
C14_11 C15_11 1.431(2) . ?
C14_11 H14_11 0.9300 . ?
C15_11 C16_11 1.409(2) . ?
C15_11 C20_11 1.4280(18) . ?
C16_11 C17_11 1.370(2) . ?
C16_11 H16_11 0.9300 . ?
C17_11 C18_11 1.410(2) . ?
C17_11 H17_11 0.9300 . ?
C18_11 C19_11 1.3772(19) . ?
C18_11 H18_11 0.9300 . ?
C19_11 C20_11 1.415(2) . ?
C19_11 H19_11 0.9300 . ?
C20_11 C21_11 1.4349(17) . ?
C21_11 C22_11 1.4403(18) . ?
C22_11 H22_11 0.9300 . ?
C23_11 C24_11 1.530(2) . ?
C23_11 C25_11 1.5497(19) . ?
C23_11 H23_11 0.9800 . ?
C24_11 H24A_11 0.9600 . ?
C24_11 H24B_11 0.9600 . ?
C24_11 H24C_11 0.9600 . ?
C25_11 C27_11 1.529(2) . ?
C25_11 C28_11 1.535(2) . ?
C25_11 C26_11 1.535(2) . ?
C26_11 H26A_11 0.9600 . ?
C26_11 H26B_11 0.9600 . ?
C26_11 H26C_11 0.9600 . ?
C27_11 H27A_11 0.9600 . ?
C27_11 H27B_11 0.9600 . ?
C27_11 H27C_11 0.9600 . ?
C28_11 H28A_11 0.9600 . ?
C28_11 H28B_11 0.9600 . ?
C28_11 H28C_11 0.9600 . ?
C29_11 C30_11 1.535(2) . ?
C29_11 C31_11 1.552(2) . ?
C29_11 H29_11 0.9800 . ?
C30_11 H30A_11 0.9600 . ?
C30_11 H30B_11 0.9600 . ?
C30_11 H30C_11 0.9600 . ?
C31_11 C34_11 1.513(2) . ?
C31_11 C33_11 1.526(2) . ?
C31_11 C32_11 1.532(3) . ?
C32_11 H32A_11 0.9600 . ?
C32_11 H32B_11 0.9600 . ?
C32_11 H32C_11 0.9600 . ?
C33_11 H33A_11 0.9600 . ?
C33_11 H33B_11 0.9600 . ?
C33_11 H33C_11 0.9600 . ?
C34_11 H34A_11 0.9600 . ?
C34_11 H34B_11 0.9600 . ?
C34_11 H34C_11 0.9600 . ?
Ni12_12 O24_12 1.8504(10) . ?
Ni12_12 O23_12 1.8559(11) . ?
Ni12_12 N23_12 1.8831(12) . ?
Ni12_12 N24_12 1.8842(12) . ?
O23_12 C1_12 1.3101(17) . ?
O24_12 C12_12 1.2991(17) . ?
N23_12 C11_12 1.3001(17) . ?
N23_12 C23_12 1.4831(17) . ?
N24_12 C22_12 1.2954(16) . ?
N24_12 C29_12 1.4820(18) . ?
C1_12 C10_12 1.407(2) . ?
C1_12 C2_12 1.4336(19) . ?
C2_12 C3_12 1.367(2) . ?
C2_12 H2_12 0.9300 . ?
C3_12 C4_12 1.426(2) . ?
C3_12 H3_12 0.9300 . ?
C4_12 C9_12 1.418(2) . ?
C4_12 C5_12 1.419(2) . ?
C5_12 C6_12 1.376(3) . ?
C5_12 H5_12 0.9300 . ?
C6_12 C7_12 1.411(2) . ?
C6_12 H6_12 0.9300 . ?
C7_12 C8_12 1.379(2) . ?
C7_12 H7_12 0.9300 . ?
C8_12 C9_12 1.415(2) . ?
C8_12 H8_12 0.9300 . ?
C9_12 C10_12 1.4424(19) . ?
C10_12 C11_12 1.4359(19) . ?
C11_12 H11_12 0.9300 . ?
C12_12 C21_12 1.406(2) . ?
C12_12 C13_12 1.4375(19) . ?
C13_12 C14_12 1.365(2) . ?
C13_12 H13_12 0.9300 . ?
C14_12 C15_12 1.431(3) . ?
C14_12 H14_12 0.9300 . ?
C15_12 C16_12 1.416(2) . ?
C15_12 C20_12 1.417(2) . ?
C16_12 C17_12 1.370(3) . ?
C16_12 H16_12 0.9300 . ?
C17_12 C18_12 1.389(3) . ?
C17_12 H17_12 0.9300 . ?
C18_12 C19_12 1.381(2) . ?
C18_12 H18_12 0.9300 . ?
C19_12 C20_12 1.421(2) . ?
C19_12 H19_12 0.9300 . ?
C20_12 C21_12 1.4377(18) . ?
C21_12 C22_12 1.4342(19) . ?
C22_12 H22_12 0.9300 . ?
C23_12 C24_12 1.528(2) . ?
C23_12 C25_12 1.5537(19) . ?
C23_12 H23_12 0.9800 . ?
C24_12 H24A_12 0.9600 . ?
C24_12 H24B_12 0.9600 . ?
C24_12 H24C_12 0.9600 . ?
C25_12 C27_12 1.530(2) . ?
C25_12 C26_12 1.535(2) . ?
C25_12 C28_12 1.540(2) . ?
C26_12 H26A_12 0.9600 . ?
C26_12 H26B_12 0.9600 . ?
C26_12 H26C_12 0.9600 . ?
C27_12 H27A_12 0.9600 . ?
C27_12 H27B_12 0.9600 . ?
C27_12 H27C_12 0.9600 . ?
C28_12 H28A_12 0.9600 . ?
C28_12 H28B_12 0.9600 . ?
C28_12 H28C_12 0.9600 . ?
C29_12 C30_12 1.516(2) . ?
C29_12 C31_12 1.558(2) . ?
C29_12 H29_12 0.9800 . ?
C30_12 H30A_12 0.9600 . ?
C30_12 H30B_12 0.9600 . ?
C30_12 H30C_12 0.9600 . ?
C31_12 C34_12 1.531(3) . ?
C31_12 C33_12 1.532(2) . ?
C31_12 C32_12 1.532(2) . ?
C32_12 H32A_12 0.9600 . ?
C32_12 H32B_12 0.9600 . ?
C32_12 H32C_12 0.9600 . ?
C33_12 H33A_12 0.9600 . ?
C33_12 H33B_12 0.9600 . ?
C33_12 H33C_12 0.9600 . ?
C34_12 H34A_12 0.9600 . ?
C34_12 H34B_12 0.9600 . ?
C34_12 H34C_12 0.9600 . ?
Ni13_13 O25_13 1.8544(11) . ?
Ni13_13 O26_13 1.8553(10) . ?
Ni13_13 N25_13 1.8847(12) . ?
Ni13_13 N26_13 1.8960(12) . ?
O25_13 C1_13 1.3069(17) . ?
O26_13 C12_13 1.3004(16) . ?
N25_13 C11_13 1.2989(17) . ?
N25_13 C23_13 1.4885(17) . ?
N26_13 C22_13 1.2904(16) . ?
N26_13 C29_13 1.4827(17) . ?
C1_13 C10_13 1.413(2) . ?
C1_13 C2_13 1.4344(19) . ?
C2_13 C3_13 1.365(2) . ?
C2_13 H2_13 0.9300 . ?
C3_13 C4_13 1.430(2) . ?
C3_13 H3_13 0.9300 . ?
C4_13 C9_13 1.4193(19) . ?
C4_13 C5_13 1.419(2) . ?
C5_13 C6_13 1.377(3) . ?
C5_13 H5_13 0.9300 . ?
C6_13 C7_13 1.405(2) . ?
C6_13 H6_13 0.9300 . ?
C7_13 C8_13 1.382(2) . ?
C7_13 H7_13 0.9300 . ?
C8_13 C9_13 1.414(2) . ?
C8_13 H8_13 0.9300 . ?
C9_13 C10_13 1.4430(19) . ?
C10_13 C11_13 1.4335(18) . ?
C11_13 H11_13 0.9300 . ?
C12_13 C21_13 1.4061(18) . ?
C12_13 C13_13 1.4426(18) . ?
C13_13 C14_13 1.361(2) . ?
C13_13 H13_13 0.9300 . ?
C14_13 C15_13 1.431(2) . ?
C14_13 H14_13 0.9300 . ?
C15_13 C16_13 1.409(2) . ?
C15_13 C20_13 1.4268(19) . ?
C16_13 C17_13 1.370(2) . ?
C16_13 H16_13 0.9300 . ?
C17_13 C18_13 1.409(2) . ?
C17_13 H17_13 0.9300 . ?
C18_13 C19_13 1.3817(19) . ?
C18_13 H18_13 0.9300 . ?
C19_13 C20_13 1.414(2) . ?
C19_13 H19_13 0.9300 . ?
C20_13 C21_13 1.4324(18) . ?
C21_13 C22_13 1.4410(18) . ?
C22_13 H22_13 0.9300 . ?
C23_13 C24_13 1.529(2) . ?
C23_13 C25_13 1.5496(19) . ?
C23_13 H23_13 0.9800 . ?
C24_13 H24A_13 0.9600 . ?
C24_13 H24B_13 0.9600 . ?
C24_13 H24C_13 0.9600 . ?
C25_13 C26_13 1.530(2) . ?
C25_13 C27_13 1.538(2) . ?
C25_13 C28_13 1.539(2) . ?
C26_13 H26A_13 0.9600 . ?
C26_13 H26B_13 0.9600 . ?
C26_13 H26C_13 0.9600 . ?
C27_13 H27A_13 0.9600 . ?
C27_13 H27B_13 0.9600 . ?
C27_13 H27C_13 0.9600 . ?
C28_13 H28A_13 0.9600 . ?
C28_13 H28B_13 0.9600 . ?
C28_13 H28C_13 0.9600 . ?
C29_13 C30_13 1.529(2) . ?
C29_13 C31_13 1.561(2) . ?
C29_13 H29_13 0.9800 . ?
C30_13 H30A_13 0.9600 . ?
C30_13 H30B_13 0.9600 . ?
C30_13 H30C_13 0.9600 . ?
C31_13 C33_13 1.529(2) . ?
C31_13 C34_13 1.531(3) . ?
C31_13 C32_13 1.534(3) . ?
C32_13 H32A_13 0.9600 . ?
C32_13 H32B_13 0.9600 . ?
C32_13 H32C_13 0.9600 . ?
C33_13 H33A_13 0.9600 . ?
C33_13 H33B_13 0.9600 . ?
C33_13 H33C_13 0.9600 . ?
C34_13 H34A_13 0.9600 . ?
C34_13 H34B_13 0.9600 . ?
C34_13 H34C_13 0.9600 . ?
Ni14_14 O27_14 1.8495(11) . ?
Ni14_14 O28_14 1.8582(10) . ?
Ni14_14 N27_14 1.8830(13) . ?
Ni14_14 N28_14 1.9013(13) . ?
O27_14 C12_14 1.3053(17) . ?
O28_14 C1_14 1.3056(16) . ?
N27_14 C22_14 1.2998(17) . ?
N27_14 C29_14 1.4846(18) . ?
N28_14 C11_14 1.2913(16) . ?
N28_14 C23_14 1.4748(19) . ?
C1_14 C10_14 1.4037(19) . ?
C1_14 C2_14 1.4363(19) . ?
C2_14 C3_14 1.3611(19) . ?
C2_14 H2_14 0.9300 . ?
C3_14 C4_14 1.425(2) . ?
C3_14 H3_14 0.9300 . ?
C4_14 C5_14 1.4109(19) . ?
C4_14 C9_14 1.4254(19) . ?
C5_14 C6_14 1.370(2) . ?
C5_14 H5_14 0.9300 . ?
C6_14 C7_14 1.407(2) . ?
C6_14 H6_14 0.9300 . ?
C7_14 C8_14 1.3754(19) . ?
C7_14 H7_14 0.9300 . ?
C8_14 C9_14 1.418(2) . ?
C8_14 H8_14 0.9300 . ?
C9_14 C10_14 1.4304(17) . ?
C10_14 C11_14 1.4413(18) . ?
C11_14 H11_14 0.9300 . ?
C12_14 C21_14 1.410(2) . ?
C12_14 C13_14 1.436(2) . ?
C13_14 C14_14 1.366(2) . ?
C13_14 H13_14 0.9300 . ?
C14_14 C15_14 1.429(3) . ?
C14_14 H14_14 0.9300 . ?
C15_14 C20_14 1.412(2) . ?
C15_14 C16_14 1.416(2) . ?
C16_14 C17_14 1.369(3) . ?
C16_14 H16_14 0.9300 . ?
C17_14 C18_14 1.410(3) . ?
C17_14 H17_14 0.9300 . ?
C18_14 C19_14 1.381(2) . ?
C18_14 H18_14 0.9300 . ?
C19_14 C20_14 1.415(2) . ?
C19_14 H19_14 0.9300 . ?
C20_14 C21_14 1.4467(19) . ?
C21_14 C22_14 1.4291(19) . ?
C22_14 H22_14 0.9300 . ?
C23_14 C24_14 1.519(3) . ?
C23_14 C25_14 1.562(3) . ?
C23_14 H23_14 0.9800 . ?
C24_14 H24A_14 0.9600 . ?
C24_14 H24B_14 0.9600 . ?
C24_14 H24C_14 0.9600 . ?
C25_14 C27_14 1.521(3) . ?
C25_14 C28_14 1.529(3) . ?
C25_14 C26_14 1.532(2) . ?
C26_14 H26A_14 0.9600 . ?
C26_14 H26B_14 0.9600 . ?
C26_14 H26C_14 0.9600 . ?
C27_14 H27A_14 0.9600 . ?
C27_14 H27B_14 0.9600 . ?
C27_14 H27C_14 0.9600 . ?
C28_14 H28A_14 0.9600 . ?
C28_14 H28B_14 0.9600 . ?
C28_14 H28C_14 0.9600 . ?
C29_14 C30_14 1.530(2) . ?
C29_14 C31_14 1.5565(19) . ?
C29_14 H29_14 0.9800 . ?
C30_14 H30A_14 0.9600 . ?
C30_14 H30B_14 0.9600 . ?
C30_14 H30C_14 0.9600 . ?
C31_14 C33_14 1.531(2) . ?
C31_14 C34_14 1.533(2) . ?
C31_14 C32_14 1.538(2) . ?
C32_14 H32A_14 0.9600 . ?
C32_14 H32B_14 0.9600 . ?
C32_14 H32C_14 0.9600 . ?
C33_14 H33A_14 0.9600 . ?
C33_14 H33B_14 0.9600 . ?
C33_14 H33C_14 0.9600 . ?
C34_14 H34A_14 0.9600 . ?
C34_14 H34B_14 0.9600 . ?
C34_14 H34C_14 0.9600 . ?
Ni15_15 O29_15 1.8523(10) . ?
Ni15_15 O30_15 1.8530(10) . ?
Ni15_15 N29_15 1.8895(12) . ?
Ni15_15 N30_15 1.8986(12) . ?
O29_15 C12_15 1.3090(17) . ?
O30_15 C1_15 1.3028(16) . ?
N29_15 C22_15 1.2956(17) . ?
N29_15 C29_15 1.4877(17) . ?
N30_15 C11_15 1.2953(16) . ?
N30_15 C23_15 1.4827(17) . ?
C1_15 C10_15 1.4060(18) . ?
C1_15 C2_15 1.4359(18) . ?
C2_15 C3_15 1.3626(19) . ?
C2_15 H2_15 0.9300 . ?
C3_15 C4_15 1.428(2) . ?
C3_15 H3_15 0.9300 . ?
C4_15 C5_15 1.412(2) . ?
C4_15 C9_15 1.4265(18) . ?
C5_15 C6_15 1.368(2) . ?
C5_15 H5_15 0.9300 . ?
C6_15 C7_15 1.410(2) . ?
C6_15 H6_15 0.9300 . ?
C7_15 C8_15 1.3777(19) . ?
C7_15 H7_15 0.9300 . ?
C8_15 C9_15 1.4154(19) . ?
C8_15 H8_15 0.9300 . ?
C9_15 C10_15 1.4360(17) . ?
C10_15 C11_15 1.4425(18) . ?
C11_15 H11_15 0.9300 . ?
C12_15 C21_15 1.406(2) . ?
C12_15 C13_15 1.4348(19) . ?
C13_15 C14_15 1.363(2) . ?
C13_15 H13_15 0.9300 . ?
C14_15 C15_15 1.430(2) . ?
C14_15 H14_15 0.9300 . ?
C15_15 C20_15 1.4142(19) . ?
C15_15 C16_15 1.416(2) . ?
C16_15 C17_15 1.378(3) . ?
C16_15 H16_15 0.9300 . ?
C17_15 C18_15 1.407(2) . ?
C17_15 H17_15 0.9300 . ?
C18_15 C19_15 1.383(2) . ?
C18_15 H18_15 0.9300 . ?
C19_15 C20_15 1.416(2) . ?
C19_15 H19_15 0.9300 . ?
C20_15 C21_15 1.4449(19) . ?
C21_15 C22_15 1.4356(18) . ?
C22_15 H22_15 0.9300 . ?
C23_15 C24_15 1.524(2) . ?
C23_15 C25_15 1.556(2) . ?
C23_15 H23_15 0.9800 . ?
C24_15 H24A_15 0.9600 . ?
C24_15 H24B_15 0.9600 . ?
C24_15 H24C_15 0.9600 . ?
C25_15 C26_15 1.513(2) . ?
C25_15 C28_15 1.530(2) . ?
C25_15 C27_15 1.531(3) . ?
C26_15 H26A_15 0.9600 . ?
C26_15 H26B_15 0.9600 . ?
C26_15 H26C_15 0.9600 . ?
C27_15 H27A_15 0.9600 . ?
C27_15 H27B_15 0.9600 . ?
C27_15 H27C_15 0.9600 . ?
C28_15 H28A_15 0.9600 . ?
C28_15 H28B_15 0.9600 . ?
C28_15 H28C_15 0.9600 . ?
C29_15 C30_15 1.529(2) . ?
C29_15 C31_15 1.5538(19) . ?
C29_15 H29_15 0.9800 . ?
C30_15 H30A_15 0.9600 . ?
C30_15 H30B_15 0.9600 . ?
C30_15 H30C_15 0.9600 . ?
C31_15 C33_15 1.527(2) . ?
C31_15 C34_15 1.533(3) . ?
C31_15 C32_15 1.537(2) . ?
C32_15 H32A_15 0.9600 . ?
C32_15 H32B_15 0.9600 . ?
C32_15 H32C_15 0.9600 . ?
C33_15 H33A_15 0.9600 . ?
C33_15 H33B_15 0.9600 . ?
C33_15 H33C_15 0.9600 . ?
C34_15 H34A_15 0.9600 . ?
C34_15 H34B_15 0.9600 . ?
C34_15 H34C_15 0.9600 . ?
Ni16_16 O32_16 1.8478(10) . ?
Ni16_16 O31_16 1.8571(10) . ?
Ni16_16 N31_16 1.8806(12) . ?
Ni16_16 N32_16 1.8845(12) . ?
O31_16 C12_16 1.3068(16) . ?
O32_16 C1_16 1.3021(16) . ?
N31_16 C22_16 1.2987(16) . ?
N31_16 C29_16 1.4841(17) . ?
N32_16 C11_16 1.2936(16) . ?
N32_16 C23_16 1.4823(17) . ?
C1_16 C10_16 1.4061(19) . ?
C1_16 C2_16 1.4380(18) . ?
C2_16 C3_16 1.363(2) . ?
C2_16 H2_16 0.9300 . ?
C3_16 C4_16 1.428(2) . ?
C3_16 H3_16 0.9300 . ?
C4_16 C5_16 1.408(2) . ?
C4_16 C9_16 1.424(2) . ?
C5_16 C6_16 1.375(3) . ?
C5_16 H5_16 0.9300 . ?
C6_16 C7_16 1.405(3) . ?
C6_16 H6_16 0.9300 . ?
C7_16 C8_16 1.378(2) . ?
C7_16 H7_16 0.9300 . ?
C8_16 C9_16 1.416(2) . ?
C8_16 H8_16 0.9300 . ?
C9_16 C10_16 1.4352(18) . ?
C10_16 C11_16 1.4364(18) . ?
C11_16 H11_16 0.9300 . ?
C12_16 C21_16 1.4090(19) . ?
C12_16 C13_16 1.4315(18) . ?
C13_16 C14_16 1.365(2) . ?
C13_16 H13_16 0.9300 . ?
C14_16 C15_16 1.427(2) . ?
C14_16 H14_16 0.9300 . ?
C15_16 C20_16 1.4173(19) . ?
C15_16 C16_16 1.419(2) . ?
C16_16 C17_16 1.379(3) . ?
C16_16 H16_16 0.9300 . ?
C17_16 C18_16 1.406(2) . ?
C17_16 H17_16 0.9300 . ?
C18_16 C19_16 1.3809(19) . ?
C18_16 H18_16 0.9300 . ?
C19_16 C20_16 1.418(2) . ?
C19_16 H19_16 0.9300 . ?
C20_16 C21_16 1.4412(18) . ?
C21_16 C22_16 1.4375(18) . ?
C22_16 H22_16 0.9300 . ?
C23_16 C24_16 1.518(2) . ?
C23_16 C25_16 1.559(2) . ?
C23_16 H23_16 0.9800 . ?
C24_16 H24A_16 0.9600 . ?
C24_16 H24B_16 0.9600 . ?
C24_16 H24C_16 0.9600 . ?
C25_16 C26_16 1.524(2) . ?
C25_16 C28_16 1.534(2) . ?
C25_16 C27_16 1.538(2) . ?
C26_16 H26A_16 0.9600 . ?
C26_16 H26B_16 0.9600 . ?
C26_16 H26C_16 0.9600 . ?
C27_16 H27A_16 0.9600 . ?
C27_16 H27B_16 0.9600 . ?
C27_16 H27C_16 0.9600 . ?
C28_16 H28A_16 0.9600 . ?
C28_16 H28B_16 0.9600 . ?
C28_16 H28C_16 0.9600 . ?
C29_16 C30_16 1.528(2) . ?
C29_16 C31_16 1.5546(19) . ?
C29_16 H29_16 0.9800 . ?
C30_16 H30A_16 0.9600 . ?
C30_16 H30B_16 0.9600 . ?
C30_16 H30C_16 0.9600 . ?
C31_16 C34_16 1.529(2) . ?
C31_16 C33_16 1.533(2) . ?
C31_16 C32_16 1.540(2) . ?
C32_16 H32A_16 0.9600 . ?
C32_16 H32B_16 0.9600 . ?
C32_16 H32C_16 0.9600 . ?
C33_16 H33A_16 0.9600 . ?
C33_16 H33B_16 0.9600 . ?
C33_16 H33C_16 0.9600 . ?
C34_16 H34A_16 0.9600 . ?
C34_16 H34B_16 0.9600 . ?
C34_16 H34C_16 0.9600 . ?

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_1 Ni1_1 O2_1 175.36(5) . . ?
O1_1 Ni1_1 N2_1 88.37(5) . . ?
O2_1 Ni1_1 N2_1 90.76(5) . . ?
O1_1 Ni1_1 N1_1 91.16(5) . . ?
O2_1 Ni1_1 N1_1 89.56(5) . . ?
N2_1 Ni1_1 N1_1 177.96(5) . . ?
C1_1 O1_1 Ni1_1 121.25(9) . . ?
C12_1 O2_1 Ni1_1 120.69(9) . . ?
C11_1 N1_1 C23_1 119.14(12) . . ?
C11_1 N1_1 Ni1_1 121.53(10) . . ?
C23_1 N1_1 Ni1_1 119.33(9) . . ?
C22_1 N2_1 C29_1 119.56(12) . . ?
C22_1 N2_1 Ni1_1 120.46(10) . . ?
C29_1 N2_1 Ni1_1 119.97(8) . . ?
O1_1 C1_1 C10_1 124.18(12) . . ?
O1_1 C1_1 C2_1 117.71(12) . . ?
C10_1 C1_1 C2_1 118.10(12) . . ?
C3_1 C2_1 C1_1 120.98(14) . . ?
C3_1 C2_1 H2_1 119.5 . . ?
C1_1 C2_1 H2_1 119.5 . . ?
C2_1 C3_1 C4_1 121.86(13) . . ?
C2_1 C3_1 H3_1 119.1 . . ?
C4_1 C3_1 H3_1 119.1 . . ?
C5_1 C4_1 C9_1 119.26(15) . . ?
C5_1 C4_1 C3_1 122.27(14) . . ?
C9_1 C4_1 C3_1 118.47(12) . . ?
C6_1 C5_1 C4_1 121.76(15) . . ?
C6_1 C5_1 H5_1 119.1 . . ?
C4_1 C5_1 H5_1 119.1 . . ?
C5_1 C6_1 C7_1 119.52(14) . . ?
C5_1 C6_1 H6_1 120.2 . . ?
C7_1 C6_1 H6_1 120.2 . . ?
C8_1 C7_1 C6_1 120.23(16) . . ?
C8_1 C7_1 H7_1 119.9 . . ?
C6_1 C7_1 H7_1 119.9 . . ?
C7_1 C8_1 C9_1 121.55(15) . . ?
C7_1 C8_1 H8_1 119.2 . . ?
C9_1 C8_1 H8_1 119.2 . . ?
C8_1 C9_1 C4_1 117.68(12) . . ?
C8_1 C9_1 C10_1 123.05(13) . . ?
C4_1 C9_1 C10_1 119.19(13) . . ?
C1_1 C10_1 C9_1 121.10(12) . . ?
C1_1 C10_1 C11_1 118.71(12) . . ?
C9_1 C10_1 C11_1 119.98(12) . . ?
N1_1 C11_1 C10_1 125.14(13) . . ?
N1_1 C11_1 H11_1 117.4 . . ?
C10_1 C11_1 H11_1 117.4 . . ?
O2_1 C12_1 C21_1 123.89(12) . . ?
O2_1 C12_1 C13_1 117.43(13) . . ?
C21_1 C12_1 C13_1 118.67(13) . . ?
C14_1 C13_1 C12_1 121.16(15) . . ?
C14_1 C13_1 H13_1 119.4 . . ?
C12_1 C13_1 H13_1 119.4 . . ?
C13_1 C14_1 C15_1 121.25(14) . . ?
C13_1 C14_1 H14_1 119.4 . . ?
C15_1 C14_1 H14_1 119.4 . . ?
C20_1 C15_1 C16_1 119.90(15) . . ?
C20_1 C15_1 C14_1 119.07(13) . . ?
C16_1 C15_1 C14_1 121.00(14) . . ?
C17_1 C16_1 C15_1 120.88(15) . . ?
C17_1 C16_1 H16_1 119.6 . . ?
C15_1 C16_1 H16_1 119.6 . . ?
C16_1 C17_1 C18_1 119.39(14) . . ?
C16_1 C17_1 H17_1 120.3 . . ?
C18_1 C17_1 H17_1 120.3 . . ?
C19_1 C18_1 C17_1 120.77(16) . . ?
C19_1 C18_1 H18_1 119.6 . . ?
C17_1 C18_1 H18_1 119.6 . . ?
C18_1 C19_1 C20_1 121.13(14) . . ?
C18_1 C19_1 H19_1 119.4 . . ?
C20_1 C19_1 H19_1 119.4 . . ?
C15_1 C20_1 C19_1 117.90(13) . . ?
C15_1 C20_1 C21_1 119.38(14) . . ?
C19_1 C20_1 C21_1 122.68(13) . . ?
C12_1 C21_1 C22_1 118.53(12) . . ?
C12_1 C21_1 C20_1 120.22(12) . . ?
C22_1 C21_1 C20_1 120.64(13) . . ?
N2_1 C22_1 C21_1 124.97(13) . . ?
N2_1 C22_1 H22_1 117.5 . . ?
C21_1 C22_1 H22_1 117.5 . . ?
N1_1 C23_1 C24_1 111.68(12) . . ?
N1_1 C23_1 C25_1 111.88(11) . . ?
C24_1 C23_1 C25_1 114.71(13) . . ?
N1_1 C23_1 H23_1 105.9 . . ?
C24_1 C23_1 H23_1 105.9 . . ?
C25_1 C23_1 H23_1 105.9 . . ?
C23_1 C24_1 H24A_1 109.5 . . ?
C23_1 C24_1 H24B_1 109.5 . . ?
H24A_1 C24_1 H24B_1 109.5 . . ?
C23_1 C24_1 H24C_1 109.5 . . ?
H24A_1 C24_1 H24C_1 109.5 . . ?
H24B_1 C24_1 H24C_1 109.5 . . ?
C27_1 C25_1 C28_1 108.47(13) . . ?
C27_1 C25_1 C26_1 109.96(13) . . ?
C28_1 C25_1 C26_1 107.66(14) . . ?
C27_1 C25_1 C23_1 113.26(13) . . ?
C28_1 C25_1 C23_1 107.81(12) . . ?
C26_1 C25_1 C23_1 109.51(12) . . ?
C25_1 C26_1 H26A_1 109.5 . . ?
C25_1 C26_1 H26B_1 109.5 . . ?
H26A_1 C26_1 H26B_1 109.5 . . ?
C25_1 C26_1 H26C_1 109.5 . . ?
H26A_1 C26_1 H26C_1 109.5 . . ?
H26B_1 C26_1 H26C_1 109.5 . . ?
C25_1 C27_1 H27A_1 109.5 . . ?
C25_1 C27_1 H27B_1 109.5 . . ?
H27A_1 C27_1 H27B_1 109.5 . . ?
C25_1 C27_1 H27C_1 109.5 . . ?
H27A_1 C27_1 H27C_1 109.5 . . ?
H27B_1 C27_1 H27C_1 109.5 . . ?
C25_1 C28_1 H28A_1 109.5 . . ?
C25_1 C28_1 H28B_1 109.5 . . ?
H28A_1 C28_1 H28B_1 109.5 . . ?
C25_1 C28_1 H28C_1 109.5 . . ?
H28A_1 C28_1 H28C_1 109.5 . . ?
H28B_1 C28_1 H28C_1 109.5 . . ?
N2_1 C29_1 C30_1 112.06(11) . . ?
N2_1 C29_1 C31_1 110.98(10) . . ?
C30_1 C29_1 C31_1 115.10(12) . . ?
N2_1 C29_1 H29_1 106.0 . . ?
C30_1 C29_1 H29_1 106.0 . . ?
C31_1 C29_1 H29_1 106.0 . . ?
C29_1 C30_1 H30A_1 109.5 . . ?
C29_1 C30_1 H30B_1 109.5 . . ?
H30A_1 C30_1 H30B_1 109.5 . . ?
C29_1 C30_1 H30C_1 109.5 . . ?
H30A_1 C30_1 H30C_1 109.5 . . ?
H30B_1 C30_1 H30C_1 109.5 . . ?
C33_1 C31_1 C32_1 108.38(12) . . ?
C33_1 C31_1 C34_1 109.12(12) . . ?
C32_1 C31_1 C34_1 108.67(12) . . ?
C33_1 C31_1 C29_1 114.05(11) . . ?
C32_1 C31_1 C29_1 108.22(11) . . ?
C34_1 C31_1 C29_1 108.29(11) . . ?
C31_1 C32_1 H32A_1 109.5 . . ?
C31_1 C32_1 H32B_1 109.5 . . ?
H32A_1 C32_1 H32B_1 109.5 . . ?
C31_1 C32_1 H32C_1 109.5 . . ?
H32A_1 C32_1 H32C_1 109.5 . . ?
H32B_1 C32_1 H32C_1 109.5 . . ?
C31_1 C33_1 H33A_1 109.5 . . ?
C31_1 C33_1 H33B_1 109.5 . . ?
H33A_1 C33_1 H33B_1 109.5 . . ?
C31_1 C33_1 H33C_1 109.5 . . ?
H33A_1 C33_1 H33C_1 109.5 . . ?
H33B_1 C33_1 H33C_1 109.5 . . ?
C31_1 C34_1 H34A_1 109.5 . . ?
C31_1 C34_1 H34B_1 109.5 . . ?
H34A_1 C34_1 H34B_1 109.5 . . ?
C31_1 C34_1 H34C_1 109.5 . . ?
H34A_1 C34_1 H34C_1 109.5 . . ?
H34B_1 C34_1 H34C_1 109.5 . . ?
O3_2 Ni2_2 O4_2 178.72(5) . . ?
O3_2 Ni2_2 N4_2 88.59(5) . . ?
O4_2 Ni2_2 N4_2 91.17(5) . . ?
O3_2 Ni2_2 N3_2 90.49(5) . . ?
O4_2 Ni2_2 N3_2 89.64(5) . . ?
N4_2 Ni2_2 N3_2 174.98(5) . . ?
C1_2 O3_2 Ni2_2 121.11(9) . . ?
C12_2 O4_2 Ni2_2 121.91(9) . . ?
C11_2 N3_2 C23_2 118.37(11) . . ?
C11_2 N3_2 Ni2_2 120.08(10) . . ?
C23_2 N3_2 Ni2_2 121.55(9) . . ?
C22_2 N4_2 C29_2 118.86(12) . . ?
C22_2 N4_2 Ni2_2 120.09(10) . . ?
C29_2 N4_2 Ni2_2 121.01(9) . . ?
O3_2 C1_2 C10_2 124.07(12) . . ?
O3_2 C1_2 C2_2 117.54(12) . . ?
C10_2 C1_2 C2_2 118.37(12) . . ?
C3_2 C2_2 C1_2 120.74(13) . . ?
C3_2 C2_2 H2_2 119.6 . . ?
C1_2 C2_2 H2_2 119.6 . . ?
C2_2 C3_2 C4_2 121.88(13) . . ?
C2_2 C3_2 H3_2 119.1 . . ?
C4_2 C3_2 H3_2 119.1 . . ?
C5_2 C4_2 C9_2 120.08(14) . . ?
C5_2 C4_2 C3_2 121.44(13) . . ?
C9_2 C4_2 C3_2 118.47(12) . . ?
C6_2 C5_2 C4_2 120.81(14) . . ?
C6_2 C5_2 H5_2 119.6 . . ?
C4_2 C5_2 H5_2 119.6 . . ?
C5_2 C6_2 C7_2 119.76(14) . . ?
C5_2 C6_2 H6_2 120.1 . . ?
C7_2 C6_2 H6_2 120.1 . . ?
C8_2 C7_2 C6_2 120.52(15) . . ?
C8_2 C7_2 H7_2 119.7 . . ?
C6_2 C7_2 H7_2 119.7 . . ?
C7_2 C8_2 C9_2 121.21(13) . . ?
C7_2 C8_2 H8_2 119.4 . . ?
C9_2 C8_2 H8_2 119.4 . . ?
C8_2 C9_2 C4_2 117.61(12) . . ?
C8_2 C9_2 C10_2 122.95(12) . . ?
C4_2 C9_2 C10_2 119.39(12) . . ?
C1_2 C10_2 C9_2 120.67(12) . . ?
C1_2 C10_2 C11_2 118.16(11) . . ?
C9_2 C10_2 C11_2 120.58(12) . . ?
N3_2 C11_2 C10_2 125.15(12) . . ?
N3_2 C11_2 H11_2 117.4 . . ?
C10_2 C11_2 H11_2 117.4 . . ?
O4_2 C12_2 C21_2 123.85(12) . . ?
O4_2 C12_2 C13_2 117.68(13) . . ?
C21_2 C12_2 C13_2 118.47(13) . . ?
C14_2 C13_2 C12_2 121.37(15) . . ?
C14_2 C13_2 H13_2 119.3 . . ?
C12_2 C13_2 H13_2 119.3 . . ?
C13_2 C14_2 C15_2 121.25(14) . . ?
C13_2 C14_2 H14_2 119.4 . . ?
C15_2 C14_2 H14_2 119.4 . . ?
C20_2 C15_2 C16_2 120.03(16) . . ?
C20_2 C15_2 C14_2 119.01(14) . . ?
C16_2 C15_2 C14_2 120.94(14) . . ?
C17_2 C16_2 C15_2 120.71(15) . . ?
C17_2 C16_2 H16_2 119.6 . . ?
C15_2 C16_2 H16_2 119.6 . . ?
C16_2 C17_2 C18_2 119.37(15) . . ?
C16_2 C17_2 H17_2 120.3 . . ?
C18_2 C17_2 H17_2 120.3 . . ?
C19_2 C18_2 C17_2 120.97(17) . . ?
C19_2 C18_2 H18_2 119.5 . . ?
C17_2 C18_2 H18_2 119.5 . . ?
C18_2 C19_2 C20_2 121.01(15) . . ?
C18_2 C19_2 H19_2 119.5 . . ?
C20_2 C19_2 H19_2 119.5 . . ?
C15_2 C20_2 C19_2 117.88(13) . . ?
C15_2 C20_2 C21_2 119.46(14) . . ?
C19_2 C20_2 C21_2 122.63(13) . . ?
C12_2 C21_2 C22_2 118.64(12) . . ?
C12_2 C21_2 C20_2 120.13(12) . . ?
C22_2 C21_2 C20_2 120.51(13) . . ?
N4_2 C22_2 C21_2 125.54(13) . . ?
N4_2 C22_2 H22_2 117.2 . . ?
C21_2 C22_2 H22_2 117.2 . . ?
N3_2 C23_2 C24_2 112.87(12) . . ?
N3_2 C23_2 C25_2 109.68(11) . . ?
C24_2 C23_2 C25_2 113.99(13) . . ?
N3_2 C23_2 H23_2 106.6 . . ?
C24_2 C23_2 H23_2 106.6 . . ?
C25_2 C23_2 H23_2 106.6 . . ?
C23_2 C24_2 H24A_2 109.5 . . ?
C23_2 C24_2 H24B_2 109.5 . . ?
H24A_2 C24_2 H24B_2 109.5 . . ?
C23_2 C24_2 H24C_2 109.5 . . ?
H24A_2 C24_2 H24C_2 109.5 . . ?
H24B_2 C24_2 H24C_2 109.5 . . ?
C26_2 C25_2 C28_2 108.81(14) . . ?
C26_2 C25_2 C27_2 108.44(15) . . ?
C28_2 C25_2 C27_2 108.52(14) . . ?
C26_2 C25_2 C23_2 112.07(13) . . ?
C28_2 C25_2 C23_2 109.33(14) . . ?
C27_2 C25_2 C23_2 109.60(13) . . ?
C25_2 C26_2 H26A_2 109.5 . . ?
C25_2 C26_2 H26B_2 109.5 . . ?
H26A_2 C26_2 H26B_2 109.5 . . ?
C25_2 C26_2 H26C_2 109.5 . . ?
H26A_2 C26_2 H26C_2 109.5 . . ?
H26B_2 C26_2 H26C_2 109.5 . . ?
C25_2 C27_2 H27A_2 109.5 . . ?
C25_2 C27_2 H27B_2 109.5 . . ?
H27A_2 C27_2 H27B_2 109.5 . . ?
C25_2 C27_2 H27C_2 109.5 . . ?
H27A_2 C27_2 H27C_2 109.5 . . ?
H27B_2 C27_2 H27C_2 109.5 . . ?
C25_2 C28_2 H28A_2 109.5 . . ?
C25_2 C28_2 H28B_2 109.5 . . ?
H28A_2 C28_2 H28B_2 109.5 . . ?
C25_2 C28_2 H28C_2 109.5 . . ?
H28A_2 C28_2 H28C_2 109.5 . . ?
H28B_2 C28_2 H28C_2 109.5 . . ?
N4_2 C29_2 C30_2 112.08(11) . . ?
N4_2 C29_2 C31_2 111.17(11) . . ?
C30_2 C29_2 C31_2 114.93(12) . . ?
N4_2 C29_2 H29_2 106.0 . . ?
C30_2 C29_2 H29_2 106.0 . . ?
C31_2 C29_2 H29_2 106.0 . . ?
C29_2 C30_2 H30A_2 109.5 . . ?
C29_2 C30_2 H30B_2 109.5 . . ?
H30A_2 C30_2 H30B_2 109.5 . . ?
C29_2 C30_2 H30C_2 109.5 . . ?
H30A_2 C30_2 H30C_2 109.5 . . ?
H30B_2 C30_2 H30C_2 109.5 . . ?
C33_2 C31_2 C34_2 109.21(15) . . ?
C33_2 C31_2 C32_2 108.44(13) . . ?
C34_2 C31_2 C32_2 108.36(13) . . ?
C33_2 C31_2 C29_2 113.93(12) . . ?
C34_2 C31_2 C29_2 108.77(13) . . ?
C32_2 C31_2 C29_2 107.99(12) . . ?
C31_2 C32_2 H32A_2 109.5 . . ?
C31_2 C32_2 H32B_2 109.5 . . ?
H32A_2 C32_2 H32B_2 109.5 . . ?
C31_2 C32_2 H32C_2 109.5 . . ?
H32A_2 C32_2 H32C_2 109.5 . . ?
H32B_2 C32_2 H32C_2 109.5 . . ?
C31_2 C33_2 H33A_2 109.5 . . ?
C31_2 C33_2 H33B_2 109.5 . . ?
H33A_2 C33_2 H33B_2 109.5 . . ?
C31_2 C33_2 H33C_2 109.5 . . ?
H33A_2 C33_2 H33C_2 109.5 . . ?
H33B_2 C33_2 H33C_2 109.5 . . ?
C31_2 C34_2 H34A_2 109.5 . . ?
C31_2 C34_2 H34B_2 109.5 . . ?
H34A_2 C34_2 H34B_2 109.5 . . ?
C31_2 C34_2 H34C_2 109.5 . . ?
H34A_2 C34_2 H34C_2 109.5 . . ?
H34B_2 C34_2 H34C_2 109.5 . . ?
O6_3 Ni3_3 O5_3 179.00(5) . . ?
O6_3 Ni3_3 N6_3 91.54(5) . . ?
O5_3 Ni3_3 N6_3 88.92(5) . . ?
O6_3 Ni3_3 N5_3 89.80(5) . . ?
O5_3 Ni3_3 N5_3 89.65(5) . . ?
N6_3 Ni3_3 N5_3 174.12(5) . . ?
C1_3 O5_3 Ni3_3 118.36(9) . . ?
C12_3 O6_3 Ni3_3 122.25(9) . . ?
C11_3 N5_3 C23_3 118.86(11) . . ?
C11_3 N5_3 Ni3_3 119.46(9) . . ?
C23_3 N5_3 Ni3_3 121.68(9) . . ?
C22_3 N6_3 C29_3 118.95(11) . . ?
C22_3 N6_3 Ni3_3 120.07(10) . . ?
C29_3 N6_3 Ni3_3 120.88(9) . . ?
O5_3 C1_3 C10_3 123.54(12) . . ?
O5_3 C1_3 C2_3 118.07(12) . . ?
C10_3 C1_3 C2_3 118.36(12) . . ?
C3_3 C2_3 C1_3 120.81(13) . . ?
C3_3 C2_3 H2_3 119.6 . . ?
C1_3 C2_3 H2_3 119.6 . . ?
C2_3 C3_3 C4_3 121.71(12) . . ?
C2_3 C3_3 H3_3 119.1 . . ?
C4_3 C3_3 H3_3 119.1 . . ?
C5_3 C4_3 C9_3 119.93(14) . . ?
C5_3 C4_3 C3_3 121.61(13) . . ?
C9_3 C4_3 C3_3 118.43(12) . . ?
C6_3 C5_3 C4_3 120.62(14) . . ?
C6_3 C5_3 H5_3 119.7 . . ?
C4_3 C5_3 H5_3 119.7 . . ?
C5_3 C6_3 C7_3 119.97(13) . . ?
C5_3 C6_3 H6_3 120.0 . . ?
C7_3 C6_3 H6_3 120.0 . . ?
C8_3 C7_3 C6_3 120.49(15) . . ?
C8_3 C7_3 H7_3 119.8 . . ?
C6_3 C7_3 H7_3 119.8 . . ?
C7_3 C8_3 C9_3 121.18(14) . . ?
C7_3 C8_3 H8_3 119.4 . . ?
C9_3 C8_3 H8_3 119.4 . . ?
C8_3 C9_3 C4_3 117.80(12) . . ?
C8_3 C9_3 C10_3 122.77(12) . . ?
C4_3 C9_3 C10_3 119.30(12) . . ?
C1_3 C10_3 C9_3 120.80(12) . . ?
C1_3 C10_3 C11_3 118.07(11) . . ?
C9_3 C10_3 C11_3 120.80(12) . . ?
N5_3 C11_3 C10_3 124.64(12) . . ?
N5_3 C11_3 H11_3 117.7 . . ?
C10_3 C11_3 H11_3 117.7 . . ?
O6_3 C12_3 C21_3 123.84(12) . . ?
O6_3 C12_3 C13_3 117.66(13) . . ?
C21_3 C12_3 C13_3 118.49(13) . . ?
C14_3 C13_3 C12_3 121.18(15) . . ?
C14_3 C13_3 H13_3 119.4 . . ?
C12_3 C13_3 H13_3 119.4 . . ?
C13_3 C14_3 C15_3 121.28(14) . . ?
C13_3 C14_3 H14_3 119.4 . . ?
C15_3 C14_3 H14_3 119.4 . . ?
C20_3 C15_3 C16_3 119.91(16) . . ?
C20_3 C15_3 C14_3 119.18(14) . . ?
C16_3 C15_3 C14_3 120.90(14) . . ?
C17_3 C16_3 C15_3 120.62(15) . . ?
C17_3 C16_3 H16_3 119.7 . . ?
C15_3 C16_3 H16_3 119.7 . . ?
C16_3 C17_3 C18_3 119.78(15) . . ?
C16_3 C17_3 H17_3 120.1 . . ?
C18_3 C17_3 H17_3 120.1 . . ?
C19_3 C18_3 C17_3 120.38(17) . . ?
C19_3 C18_3 H18_3 119.8 . . ?
C17_3 C18_3 H18_3 119.8 . . ?
C18_3 C19_3 C20_3 121.13(15) . . ?
C18_3 C19_3 H19_3 119.4 . . ?
C20_3 C19_3 H19_3 119.4 . . ?
C15_3 C20_3 C19_3 118.11(13) . . ?
C15_3 C20_3 C21_3 119.30(14) . . ?
C19_3 C20_3 C21_3 122.58(13) . . ?
C12_3 C21_3 C22_3 118.80(12) . . ?
C12_3 C21_3 C20_3 120.13(12) . . ?
C22_3 C21_3 C20_3 120.32(13) . . ?
N6_3 C22_3 C21_3 125.63(13) . . ?
N6_3 C22_3 H22_3 117.2 . . ?
C21_3 C22_3 H22_3 117.2 . . ?
N5_3 C23_3 C24_3 112.88(12) . . ?
N5_3 C23_3 C25_3 109.46(12) . . ?
C24_3 C23_3 C25_3 114.04(14) . . ?
N5_3 C23_3 H23_3 106.7 . . ?
C24_3 C23_3 H23_3 106.7 . . ?
C25_3 C23_3 H23_3 106.7 . . ?
C23_3 C24_3 H24A_3 109.5 . . ?
C23_3 C24_3 H24B_3 109.5 . . ?
H24A_3 C24_3 H24B_3 109.5 . . ?
C23_3 C24_3 H24C_3 109.5 . . ?
H24A_3 C24_3 H24C_3 109.5 . . ?
H24B_3 C24_3 H24C_3 109.5 . . ?
C27_3 C25_3 C26_3 108.60(16) . . ?
C27_3 C25_3 C28_3 108.28(14) . . ?
C26_3 C25_3 C28_3 109.28(14) . . ?
C27_3 C25_3 C23_3 109.80(13) . . ?
C26_3 C25_3 C23_3 111.68(13) . . ?
C28_3 C25_3 C23_3 109.14(14) . . ?
C25_3 C26_3 H26A_3 109.5 . . ?
C25_3 C26_3 H26B_3 109.5 . . ?
H26A_3 C26_3 H26B_3 109.5 . . ?
C25_3 C26_3 H26C_3 109.5 . . ?
H26A_3 C26_3 H26C_3 109.5 . . ?
H26B_3 C26_3 H26C_3 109.5 . . ?
C25_3 C27_3 H27A_3 109.5 . . ?
C25_3 C27_3 H27B_3 109.5 . . ?
H27A_3 C27_3 H27B_3 109.5 . . ?
C25_3 C27_3 H27C_3 109.5 . . ?
H27A_3 C27_3 H27C_3 109.5 . . ?
H27B_3 C27_3 H27C_3 109.5 . . ?
C25_3 C28_3 H28A_3 109.5 . . ?
C25_3 C28_3 H28B_3 109.5 . . ?
H28A_3 C28_3 H28B_3 109.5 . . ?
C25_3 C28_3 H28C_3 109.5 . . ?
H28A_3 C28_3 H28C_3 109.5 . . ?
H28B_3 C28_3 H28C_3 109.5 . . ?
N6_3 C29_3 C30_3 111.70(11) . . ?
N6_3 C29_3 C31_3 111.48(11) . . ?
C30_3 C29_3 C31_3 115.42(12) . . ?
N6_3 C29_3 H29_3 105.8 . . ?
C30_3 C29_3 H29_3 105.8 . . ?
C31_3 C29_3 H29_3 105.8 . . ?
C29_3 C30_3 H30A_3 109.5 . . ?
C29_3 C30_3 H30B_3 109.5 . . ?
H30A_3 C30_3 H30B_3 109.5 . . ?
C29_3 C30_3 H30C_3 109.5 . . ?
H30A_3 C30_3 H30C_3 109.5 . . ?
H30B_3 C30_3 H30C_3 109.5 . . ?
C33_3 C31_3 C32_3 108.42(13) . . ?
C33_3 C31_3 C34_3 109.11(14) . . ?
C32_3 C31_3 C34_3 108.39(13) . . ?
C33_3 C31_3 C29_3 114.38(12) . . ?
C32_3 C31_3 C29_3 108.04(12) . . ?
C34_3 C31_3 C29_3 108.34(12) . . ?
C31_3 C32_3 H32A_3 109.5 . . ?
C31_3 C32_3 H32B_3 109.5 . . ?
H32A_3 C32_3 H32B_3 109.5 . . ?
C31_3 C32_3 H32C_3 109.5 . . ?
H32A_3 C32_3 H32C_3 109.5 . . ?
H32B_3 C32_3 H32C_3 109.5 . . ?
C31_3 C33_3 H33A_3 109.5 . . ?
C31_3 C33_3 H33B_3 109.5 . . ?
H33A_3 C33_3 H33B_3 109.5 . . ?
C31_3 C33_3 H33C_3 109.5 . . ?
H33A_3 C33_3 H33C_3 109.5 . . ?
H33B_3 C33_3 H33C_3 109.5 . . ?
C31_3 C34_3 H34A_3 109.5 . . ?
C31_3 C34_3 H34B_3 109.5 . . ?
H34A_3 C34_3 H34B_3 109.5 . . ?
C31_3 C34_3 H34C_3 109.5 . . ?
H34A_3 C34_3 H34C_3 109.5 . . ?
H34B_3 C34_3 H34C_3 109.5 . . ?
O8_4 Ni4_4 O7_4 178.31(5) . . ?
O8_4 Ni4_4 N8_4 91.41(5) . . ?
O7_4 Ni4_4 N8_4 89.22(5) . . ?
O8_4 Ni4_4 N7_4 89.27(5) . . ?
O7_4 Ni4_4 N7_4 89.95(5) . . ?
N8_4 Ni4_4 N7_4 174.38(5) . . ?
C1_4 O7_4 Ni4_4 118.15(9) . . ?
C12_4 O8_4 Ni4_4 123.17(9) . . ?
C11_4 N7_4 C23_4 119.22(11) . . ?
C11_4 N7_4 Ni4_4 119.57(9) . . ?
C23_4 N7_4 Ni4_4 121.17(8) . . ?
C22_4 N8_4 C29_4 118.45(11) . . ?
C22_4 N8_4 Ni4_4 120.71(9) . . ?
C29_4 N8_4 Ni4_4 120.80(9) . . ?
O7_4 C1_4 C10_4 123.89(12) . . ?
O7_4 C1_4 C2_4 117.57(12) . . ?
C10_4 C1_4 C2_4 118.53(12) . . ?
C3_4 C2_4 C1_4 120.88(13) . . ?
C3_4 C2_4 H2_4 119.6 . . ?
C1_4 C2_4 H2_4 119.6 . . ?
C2_4 C3_4 C4_4 121.65(12) . . ?
C2_4 C3_4 H3_4 119.2 . . ?
C4_4 C3_4 H3_4 119.2 . . ?
C5_4 C4_4 C9_4 120.20(13) . . ?
C5_4 C4_4 C3_4 121.16(12) . . ?
C9_4 C4_4 C3_4 118.57(12) . . ?
C6_4 C5_4 C4_4 120.99(13) . . ?
C6_4 C5_4 H5_4 119.5 . . ?
C4_4 C5_4 H5_4 119.5 . . ?
C5_4 C6_4 C7_4 119.44(13) . . ?
C5_4 C6_4 H6_4 120.3 . . ?
C7_4 C6_4 H6_4 120.3 . . ?
C8_4 C7_4 C6_4 120.73(14) . . ?
C8_4 C7_4 H7_4 119.6 . . ?
C6_4 C7_4 H7_4 119.6 . . ?
C7_4 C8_4 C9_4 121.38(13) . . ?
C7_4 C8_4 H8_4 119.3 . . ?
C9_4 C8_4 H8_4 119.3 . . ?
C8_4 C9_4 C4_4 117.26(12) . . ?
C8_4 C9_4 C10_4 123.40(11) . . ?
C4_4 C9_4 C10_4 119.12(12) . . ?
C1_4 C10_4 C9_4 120.72(11) . . ?
C1_4 C10_4 C11_4 118.30(11) . . ?
C9_4 C10_4 C11_4 120.86(11) . . ?
N7_4 C11_4 C10_4 124.48(12) . . ?
N7_4 C11_4 H11_4 117.8 . . ?
C10_4 C11_4 H11_4 117.8 . . ?
O8_4 C12_4 C21_4 123.67(12) . . ?
O8_4 C12_4 C13_4 117.51(12) . . ?
C21_4 C12_4 C13_4 118.82(12) . . ?
C14_4 C13_4 C12_4 121.33(13) . . ?
C14_4 C13_4 H13_4 119.3 . . ?
C12_4 C13_4 H13_4 119.3 . . ?
C13_4 C14_4 C15_4 121.03(13) . . ?
C13_4 C14_4 H14_4 119.5 . . ?
C15_4 C14_4 H14_4 119.5 . . ?
C16_4 C15_4 C20_4 120.15(14) . . ?
C16_4 C15_4 C14_4 120.74(13) . . ?
C20_4 C15_4 C14_4 119.10(12) . . ?
C17_4 C16_4 C15_4 120.75(14) . . ?
C17_4 C16_4 H16_4 119.6 . . ?
C15_4 C16_4 H16_4 119.6 . . ?
C16_4 C17_4 C18_4 119.38(14) . . ?
C16_4 C17_4 H17_4 120.3 . . ?
C18_4 C17_4 H17_4 120.3 . . ?
C19_4 C18_4 C17_4 120.76(15) . . ?
C19_4 C18_4 H18_4 119.6 . . ?
C17_4 C18_4 H18_4 119.6 . . ?
C18_4 C19_4 C20_4 121.26(13) . . ?
C18_4 C19_4 H19_4 119.4 . . ?
C20_4 C19_4 H19_4 119.4 . . ?
C19_4 C20_4 C15_4 117.66(12) . . ?
C19_4 C20_4 C21_4 122.88(12) . . ?
C15_4 C20_4 C21_4 119.44(13) . . ?
C12_4 C21_4 C22_4 118.99(12) . . ?
C12_4 C21_4 C20_4 119.98(12) . . ?
C22_4 C21_4 C20_4 120.33(12) . . ?
N8_4 C22_4 C21_4 125.71(13) . . ?
N8_4 C22_4 H22_4 117.1 . . ?
C21_4 C22_4 H22_4 117.1 . . ?
N7_4 C23_4 C24_4 112.59(10) . . ?
N7_4 C23_4 C25_4 110.89(10) . . ?
C24_4 C23_4 C25_4 114.45(11) . . ?
N7_4 C23_4 H23_4 106.1 . . ?
C24_4 C23_4 H23_4 106.1 . . ?
C25_4 C23_4 H23_4 106.1 . . ?
C23_4 C24_4 H24A_4 109.5 . . ?
C23_4 C24_4 H24B_4 109.5 . . ?
H24A_4 C24_4 H24B_4 109.5 . . ?
C23_4 C24_4 H24C_4 109.5 . . ?
H24A_4 C24_4 H24C_4 109.5 . . ?
H24B_4 C24_4 H24C_4 109.5 . . ?
C26_4 C25_4 C27_4 110.51(15) . . ?
C26_4 C25_4 C28_4 108.09(13) . . ?
C27_4 C25_4 C28_4 108.15(14) . . ?
C26_4 C25_4 C23_4 111.94(12) . . ?
C27_4 C25_4 C23_4 109.03(12) . . ?
C28_4 C25_4 C23_4 109.03(11) . . ?
C25_4 C26_4 H26A_4 109.5 . . ?
C25_4 C26_4 H26B_4 109.5 . . ?
H26A_4 C26_4 H26B_4 109.5 . . ?
C25_4 C26_4 H26C_4 109.5 . . ?
H26A_4 C26_4 H26C_4 109.5 . . ?
H26B_4 C26_4 H26C_4 109.5 . . ?
C25_4 C27_4 H27A_4 109.5 . . ?
C25_4 C27_4 H27B_4 109.5 . . ?
H27A_4 C27_4 H27B_4 109.5 . . ?
C25_4 C27_4 H27C_4 109.5 . . ?
H27A_4 C27_4 H27C_4 109.5 . . ?
H27B_4 C27_4 H27C_4 109.5 . . ?
C25_4 C28_4 H28A_4 109.5 . . ?
C25_4 C28_4 H28B_4 109.5 . . ?
H28A_4 C28_4 H28B_4 109.5 . . ?
C25_4 C28_4 H28C_4 109.5 . . ?
H28A_4 C28_4 H28C_4 109.5 . . ?
H28B_4 C28_4 H28C_4 109.5 . . ?
N8_4 C29_4 C30_4 111.91(11) . . ?
N8_4 C29_4 C31_4 111.23(11) . . ?
C30_4 C29_4 C31_4 115.02(12) . . ?
N8_4 C29_4 H29_4 106.0 . . ?
C30_4 C29_4 H29_4 106.0 . . ?
C31_4 C29_4 H29_4 106.0 . . ?
C29_4 C30_4 H30A_4 109.5 . . ?
C29_4 C30_4 H30B_4 109.5 . . ?
H30A_4 C30_4 H30B_4 109.5 . . ?
C29_4 C30_4 H30C_4 109.5 . . ?
H30A_4 C30_4 H30C_4 109.5 . . ?
H30B_4 C30_4 H30C_4 109.5 . . ?
C33_4 C31_4 C34_4 109.30(15) . . ?
C33_4 C31_4 C32_4 108.34(13) . . ?
C34_4 C31_4 C32_4 108.19(14) . . ?
C33_4 C31_4 C29_4 114.12(12) . . ?
C34_4 C31_4 C29_4 108.57(12) . . ?
C32_4 C31_4 C29_4 108.17(12) . . ?
C31_4 C32_4 H32A_4 109.5 . . ?
C31_4 C32_4 H32B_4 109.5 . . ?
H32A_4 C32_4 H32B_4 109.5 . . ?
C31_4 C32_4 H32C_4 109.5 . . ?
H32A_4 C32_4 H32C_4 109.5 . . ?
H32B_4 C32_4 H32C_4 109.5 . . ?
C31_4 C33_4 H33A_4 109.5 . . ?
C31_4 C33_4 H33B_4 109.5 . . ?
H33A_4 C33_4 H33B_4 109.5 . . ?
C31_4 C33_4 H33C_4 109.5 . . ?
H33A_4 C33_4 H33C_4 109.5 . . ?
H33B_4 C33_4 H33C_4 109.5 . . ?
C31_4 C34_4 H34A_4 109.5 . . ?
C31_4 C34_4 H34B_4 109.5 . . ?
H34A_4 C34_4 H34B_4 109.5 . . ?
C31_4 C34_4 H34C_4 109.5 . . ?
H34A_4 C34_4 H34C_4 109.5 . . ?
H34B_4 C34_4 H34C_4 109.5 . . ?
O9_5 Ni5_5 O10_5 175.50(5) . . ?
O9_5 Ni5_5 N10_5 88.39(5) . . ?
O10_5 Ni5_5 N10_5 90.89(5) . . ?
O9_5 Ni5_5 N9_5 91.06(5) . . ?
O10_5 Ni5_5 N9_5 89.45(5) . . ?
N10_5 Ni5_5 N9_5 177.31(5) . . ?
C1_5 O9_5 Ni5_5 120.19(9) . . ?
C12_5 O10_5 Ni5_5 121.65(9) . . ?
C11_5 N9_5 C23_5 118.10(11) . . ?
C11_5 N9_5 Ni5_5 121.02(10) . . ?
C23_5 N9_5 Ni5_5 120.85(8) . . ?
C22_5 N10_5 C29_5 118.92(11) . . ?
C22_5 N10_5 Ni5_5 120.80(10) . . ?
C29_5 N10_5 Ni5_5 120.28(9) . . ?
O9_5 C1_5 C10_5 124.02(12) . . ?
O9_5 C1_5 C2_5 118.19(13) . . ?
C10_5 C1_5 C2_5 117.79(12) . . ?
C3_5 C2_5 C1_5 121.08(14) . . ?
C3_5 C2_5 H2_5 119.5 . . ?
C1_5 C2_5 H2_5 119.5 . . ?
C2_5 C3_5 C4_5 122.07(13) . . ?
C2_5 C3_5 H3_5 119.0 . . ?
C4_5 C3_5 H3_5 119.0 . . ?
C5_5 C4_5 C9_5 119.12(15) . . ?
C5_5 C4_5 C3_5 122.70(14) . . ?
C9_5 C4_5 C3_5 118.16(13) . . ?
C6_5 C5_5 C4_5 121.81(16) . . ?
C6_5 C5_5 H5_5 119.1 . . ?
C4_5 C5_5 H5_5 119.1 . . ?
C5_5 C6_5 C7_5 119.31(15) . . ?
C5_5 C6_5 H6_5 120.3 . . ?
C7_5 C6_5 H6_5 120.3 . . ?
C8_5 C7_5 C6_5 120.69(17) . . ?
C8_5 C7_5 H7_5 119.7 . . ?
C6_5 C7_5 H7_5 119.7 . . ?
C7_5 C8_5 C9_5 121.45(16) . . ?
C7_5 C8_5 H8_5 119.3 . . ?
C9_5 C8_5 H8_5 119.3 . . ?
C4_5 C9_5 C8_5 117.62(13) . . ?
C4_5 C9_5 C10_5 119.36(13) . . ?
C8_5 C9_5 C10_5 122.92(13) . . ?
C1_5 C10_5 C9_5 121.23(12) . . ?
C1_5 C10_5 C11_5 118.90(11) . . ?
C9_5 C10_5 C11_5 119.77(12) . . ?
N9_5 C11_5 C10_5 124.99(12) . . ?
N9_5 C11_5 H11_5 117.5 . . ?
C10_5 C11_5 H11_5 117.5 . . ?
O10_5 C12_5 C21_5 123.65(12) . . ?
O10_5 C12_5 C13_5 117.62(12) . . ?
C21_5 C12_5 C13_5 118.72(12) . . ?
C14_5 C13_5 C12_5 121.50(14) . . ?
C14_5 C13_5 H13_5 119.3 . . ?
C12_5 C13_5 H13_5 119.3 . . ?
C13_5 C14_5 C15_5 120.98(13) . . ?
C13_5 C14_5 H14_5 119.5 . . ?
C15_5 C14_5 H14_5 119.5 . . ?
C20_5 C15_5 C16_5 120.26(14) . . ?
C20_5 C15_5 C14_5 118.99(12) . . ?
C16_5 C15_5 C14_5 120.73(13) . . ?
C17_5 C16_5 C15_5 120.68(14) . . ?
C17_5 C16_5 H16_5 119.7 . . ?
C15_5 C16_5 H16_5 119.7 . . ?
C16_5 C17_5 C18_5 119.44(14) . . ?
C16_5 C17_5 H17_5 120.3 . . ?
C18_5 C17_5 H17_5 120.3 . . ?
C19_5 C18_5 C17_5 120.74(15) . . ?
C19_5 C18_5 H18_5 119.6 . . ?
C17_5 C18_5 H18_5 119.6 . . ?
C18_5 C19_5 C20_5 121.03(13) . . ?
C18_5 C19_5 H19_5 119.5 . . ?
C20_5 C19_5 H19_5 119.5 . . ?
C15_5 C20_5 C19_5 117.83(12) . . ?
C15_5 C20_5 C21_5 119.60(13) . . ?
C19_5 C20_5 C21_5 122.53(12) . . ?
C12_5 C21_5 C22_5 118.90(12) . . ?
C12_5 C21_5 C20_5 119.97(12) . . ?
C22_5 C21_5 C20_5 120.46(12) . . ?
N10_5 C22_5 C21_5 124.98(13) . . ?
N10_5 C22_5 H22_5 117.5 . . ?
C21_5 C22_5 H22_5 117.5 . . ?
N9_5 C23_5 C24_5 111.69(11) . . ?
N9_5 C23_5 C25_5 111.46(11) . . ?
C24_5 C23_5 C25_5 114.78(12) . . ?
N9_5 C23_5 H23_5 106.1 . . ?
C24_5 C23_5 H23_5 106.1 . . ?
C25_5 C23_5 H23_5 106.1 . . ?
C23_5 C24_5 H24A_5 109.5 . . ?
C23_5 C24_5 H24B_5 109.5 . . ?
H24A_5 C24_5 H24B_5 109.5 . . ?
C23_5 C24_5 H24C_5 109.5 . . ?
H24A_5 C24_5 H24C_5 109.5 . . ?
H24B_5 C24_5 H24C_5 109.5 . . ?
C26_5 C25_5 C28_5 107.73(15) . . ?
C26_5 C25_5 C27_5 108.72(16) . . ?
C28_5 C25_5 C27_5 108.93(19) . . ?
C26_5 C25_5 C23_5 113.57(13) . . ?
C28_5 C25_5 C23_5 108.62(13) . . ?
C27_5 C25_5 C23_5 109.18(13) . . ?
C25_5 C26_5 H26A_5 109.5 . . ?
C25_5 C26_5 H26B_5 109.5 . . ?
H26A_5 C26_5 H26B_5 109.5 . . ?
C25_5 C26_5 H26C_5 109.5 . . ?
H26A_5 C26_5 H26C_5 109.5 . . ?
H26B_5 C26_5 H26C_5 109.5 . . ?
C25_5 C27_5 H27A_5 109.5 . . ?
C25_5 C27_5 H27B_5 109.5 . . ?
H27A_5 C27_5 H27B_5 109.5 . . ?
C25_5 C27_5 H27C_5 109.5 . . ?
H27A_5 C27_5 H27C_5 109.5 . . ?
H27B_5 C27_5 H27C_5 109.5 . . ?
C25_5 C28_5 H28A_5 109.5 . . ?
C25_5 C28_5 H28B_5 109.5 . . ?
H28A_5 C28_5 H28B_5 109.5 . . ?
C25_5 C28_5 H28C_5 109.5 . . ?
H28A_5 C28_5 H28C_5 109.5 . . ?
H28B_5 C28_5 H28C_5 109.5 . . ?
N10_5 C29_5 C30_5 112.21(11) . . ?
N10_5 C29_5 C31_5 110.78(11) . . ?
C30_5 C29_5 C31_5 115.07(12) . . ?
N10_5 C29_5 H29_5 106.0 . . ?
C30_5 C29_5 H29_5 106.0 . . ?
C31_5 C29_5 H29_5 106.0 . . ?
C29_5 C30_5 H30A_5 109.5 . . ?
C29_5 C30_5 H30B_5 109.5 . . ?
H30A_5 C30_5 H30B_5 109.5 . . ?
C29_5 C30_5 H30C_5 109.5 . . ?
H30A_5 C30_5 H30C_5 109.5 . . ?
H30B_5 C30_5 H30C_5 109.5 . . ?
C34_5 C31_5 C32_5 109.12(14) . . ?
C34_5 C31_5 C33_5 108.63(12) . . ?
C32_5 C31_5 C33_5 108.65(13) . . ?
C34_5 C31_5 C29_5 113.77(12) . . ?
C32_5 C31_5 C29_5 108.42(12) . . ?
C33_5 C31_5 C29_5 108.15(12) . . ?
C31_5 C32_5 H32A_5 109.5 . . ?
C31_5 C32_5 H32B_5 109.5 . . ?
H32A_5 C32_5 H32B_5 109.5 . . ?
C31_5 C32_5 H32C_5 109.5 . . ?
H32A_5 C32_5 H32C_5 109.5 . . ?
H32B_5 C32_5 H32C_5 109.5 . . ?
C31_5 C33_5 H33A_5 109.5 . . ?
C31_5 C33_5 H33B_5 109.5 . . ?
H33A_5 C33_5 H33B_5 109.5 . . ?
C31_5 C33_5 H33C_5 109.5 . . ?
H33A_5 C33_5 H33C_5 109.5 . . ?
H33B_5 C33_5 H33C_5 109.5 . . ?
C31_5 C34_5 H34A_5 109.5 . . ?
C31_5 C34_5 H34B_5 109.5 . . ?
H34A_5 C34_5 H34B_5 109.5 . . ?
C31_5 C34_5 H34C_5 109.5 . . ?
H34A_5 C34_5 H34C_5 109.5 . . ?
H34B_5 C34_5 H34C_5 109.5 . . ?
O11_6 Ni6_6 O12_6 177.27(5) . . ?
O11_6 Ni6_6 N12_6 88.18(5) . . ?
O12_6 Ni6_6 N12_6 91.27(5) . . ?
O11_6 Ni6_6 N11_6 90.34(5) . . ?
O12_6 Ni6_6 N11_6 90.05(5) . . ?
N12_6 Ni6_6 N11_6 176.33(5) . . ?
C1_6 O11_6 Ni6_6 120.51(9) . . ?
C12_6 O12_6 Ni6_6 122.22(9) . . ?
C11_6 N11_6 C23_6 118.50(12) . . ?
C11_6 N11_6 Ni6_6 120.11(10) . . ?
C23_6 N11_6 Ni6_6 121.39(9) . . ?
C22_6 N12_6 C29_6 118.69(12) . . ?
C22_6 N12_6 Ni6_6 120.70(10) . . ?
C29_6 N12_6 Ni6_6 120.57(9) . . ?
O11_6 C1_6 C10_6 124.09(12) . . ?
O11_6 C1_6 C2_6 117.44(13) . . ?
C10_6 C1_6 C2_6 118.45(12) . . ?
C3_6 C2_6 C1_6 120.65(14) . . ?
C3_6 C2_6 H2_6 119.7 . . ?
C1_6 C2_6 H2_6 119.7 . . ?
C2_6 C3_6 C4_6 121.94(13) . . ?
C2_6 C3_6 H3_6 119.0 . . ?
C4_6 C3_6 H3_6 119.0 . . ?
C5_6 C4_6 C3_6 121.47(15) . . ?
C5_6 C4_6 C9_6 120.01(16) . . ?
C3_6 C4_6 C9_6 118.51(13) . . ?
C6_6 C5_6 C4_6 120.98(16) . . ?
C6_6 C5_6 H5_6 119.5 . . ?
C4_6 C5_6 H5_6 119.5 . . ?
C5_6 C6_6 C7_6 119.63(15) . . ?
C5_6 C6_6 H6_6 120.2 . . ?
C7_6 C6_6 H6_6 120.2 . . ?
C8_6 C7_6 C6_6 120.50(17) . . ?
C8_6 C7_6 H7_6 119.7 . . ?
C6_6 C7_6 H7_6 119.7 . . ?
C7_6 C8_6 C9_6 121.33(16) . . ?
C7_6 C8_6 H8_6 119.3 . . ?
C9_6 C8_6 H8_6 119.3 . . ?
C8_6 C9_6 C4_6 117.54(13) . . ?
C8_6 C9_6 C10_6 123.14(13) . . ?
C4_6 C9_6 C10_6 119.27(14) . . ?
C1_6 C10_6 C9_6 120.72(12) . . ?
C1_6 C10_6 C11_6 118.13(12) . . ?
C9_6 C10_6 C11_6 120.76(12) . . ?
N11_6 C11_6 C10_6 125.19(13) . . ?
N11_6 C11_6 H11_6 117.4 . . ?
C10_6 C11_6 H11_6 117.4 . . ?
O12_6 C12_6 C21_6 124.02(12) . . ?
O12_6 C12_6 C13_6 117.67(14) . . ?
C21_6 C12_6 C13_6 118.30(13) . . ?
C14_6 C13_6 C12_6 121.40(15) . . ?
C14_6 C13_6 H13_6 119.3 . . ?
C12_6 C13_6 H13_6 119.3 . . ?
C13_6 C14_6 C15_6 121.55(14) . . ?
C13_6 C14_6 H14_6 119.2 . . ?
C15_6 C14_6 H14_6 119.2 . . ?
C16_6 C15_6 C20_6 120.24(16) . . ?
C16_6 C15_6 C14_6 121.09(14) . . ?
C20_6 C15_6 C14_6 118.66(14) . . ?
C17_6 C16_6 C15_6 120.89(15) . . ?
C17_6 C16_6 H16_6 119.6 . . ?
C15_6 C16_6 H16_6 119.6 . . ?
C16_6 C17_6 C18_6 119.22(15) . . ?
C16_6 C17_6 H17_6 120.4 . . ?
C18_6 C17_6 H17_6 120.4 . . ?
C19_6 C18_6 C17_6 120.74(17) . . ?
C19_6 C18_6 H18_6 119.6 . . ?
C17_6 C18_6 H18_6 119.6 . . ?
C18_6 C19_6 C20_6 121.27(15) . . ?
C18_6 C19_6 H19_6 119.4 . . ?
C20_6 C19_6 H19_6 119.4 . . ?
C15_6 C20_6 C19_6 117.59(13) . . ?
C15_6 C20_6 C21_6 119.56(14) . . ?
C19_6 C20_6 C21_6 122.83(13) . . ?
C12_6 C21_6 C22_6 118.72(12) . . ?
C12_6 C21_6 C20_6 120.25(12) . . ?
C22_6 C21_6 C20_6 120.22(13) . . ?
N12_6 C22_6 C21_6 125.23(13) . . ?
N12_6 C22_6 H22_6 117.4 . . ?
C21_6 C22_6 H22_6 117.4 . . ?
N11_6 C23_6 C24_6 112.83(12) . . ?
N11_6 C23_6 C25_6 110.10(12) . . ?
C24_6 C23_6 C25_6 113.88(14) . . ?
N11_6 C23_6 H23_6 106.5 . . ?
C24_6 C23_6 H23_6 106.5 . . ?
C25_6 C23_6 H23_6 106.5 . . ?
C23_6 C24_6 H24A_6 109.5 . . ?
C23_6 C24_6 H24B_6 109.5 . . ?
H24A_6 C24_6 H24B_6 109.5 . . ?
C23_6 C24_6 H24C_6 109.5 . . ?
H24A_6 C24_6 H24C_6 109.5 . . ?
H24B_6 C24_6 H24C_6 109.5 . . ?
C27_6 C25_6 C26_6 108.36(16) . . ?
C27_6 C25_6 C28_6 108.14(15) . . ?
C26_6 C25_6 C28_6 109.23(15) . . ?
C27_6 C25_6 C23_6 109.87(14) . . ?
C26_6 C25_6 C23_6 111.91(13) . . ?
C28_6 C25_6 C23_6 109.25(15) . . ?
C25_6 C26_6 H26A_6 109.5 . . ?
C25_6 C26_6 H26B_6 109.5 . . ?
H26A_6 C26_6 H26B_6 109.5 . . ?
C25_6 C26_6 H26C_6 109.5 . . ?
H26A_6 C26_6 H26C_6 109.5 . . ?
H26B_6 C26_6 H26C_6 109.5 . . ?
C25_6 C27_6 H27A_6 109.5 . . ?
C25_6 C27_6 H27B_6 109.5 . . ?
H27A_6 C27_6 H27B_6 109.5 . . ?
C25_6 C27_6 H27C_6 109.5 . . ?
H27A_6 C27_6 H27C_6 109.5 . . ?
H27B_6 C27_6 H27C_6 109.5 . . ?
C25_6 C28_6 H28A_6 109.5 . . ?
C25_6 C28_6 H28B_6 109.5 . . ?
H28A_6 C28_6 H28B_6 109.5 . . ?
C25_6 C28_6 H28C_6 109.5 . . ?
H28A_6 C28_6 H28C_6 109.5 . . ?
H28B_6 C28_6 H28C_6 109.5 . . ?
N12_6 C29_6 C30_6 111.90(11) . . ?
N12_6 C29_6 C31_6 111.48(11) . . ?
C30_6 C29_6 C31_6 114.85(12) . . ?
N12_6 C29_6 H29_6 106.0 . . ?
C30_6 C29_6 H29_6 106.0 . . ?
C31_6 C29_6 H29_6 106.0 . . ?
C29_6 C30_6 H30A_6 109.5 . . ?
C29_6 C30_6 H30B_6 109.5 . . ?
H30A_6 C30_6 H30B_6 109.5 . . ?
C29_6 C30_6 H30C_6 109.5 . . ?
H30A_6 C30_6 H30C_6 109.5 . . ?
H30B_6 C30_6 H30C_6 109.5 . . ?
C33_6 C31_6 C32_6 108.57(12) . . ?
C33_6 C31_6 C34_6 108.96(13) . . ?
C32_6 C31_6 C34_6 108.58(12) . . ?
C33_6 C31_6 C29_6 114.13(11) . . ?
C32_6 C31_6 C29_6 107.95(11) . . ?
C34_6 C31_6 C29_6 108.53(12) . . ?
C31_6 C32_6 H32A_6 109.5 . . ?
C31_6 C32_6 H32B_6 109.5 . . ?
H32A_6 C32_6 H32B_6 109.5 . . ?
C31_6 C32_6 H32C_6 109.5 . . ?
H32A_6 C32_6 H32C_6 109.5 . . ?
H32B_6 C32_6 H32C_6 109.5 . . ?
C31_6 C33_6 H33A_6 109.5 . . ?
C31_6 C33_6 H33B_6 109.5 . . ?
H33A_6 C33_6 H33B_6 109.5 . . ?
C31_6 C33_6 H33C_6 109.5 . . ?
H33A_6 C33_6 H33C_6 109.5 . . ?
H33B_6 C33_6 H33C_6 109.5 . . ?
C31_6 C34_6 H34A_6 109.5 . . ?
C31_6 C34_6 H34B_6 109.5 . . ?
H34A_6 C34_6 H34B_6 109.5 . . ?
C31_6 C34_6 H34C_6 109.5 . . ?
H34A_6 C34_6 H34C_6 109.5 . . ?
H34B_6 C34_6 H34C_6 109.5 . . ?
O14_7 Ni7_7 O13_7 179.63(6) . . ?
O14_7 Ni7_7 N14_7 91.17(5) . . ?
O13_7 Ni7_7 N14_7 88.79(5) . . ?
O14_7 Ni7_7 N13_7 89.42(5) . . ?
O13_7 Ni7_7 N13_7 90.58(5) . . ?
N14_7 Ni7_7 N13_7 173.34(5) . . ?
C1_7 O13_7 Ni7_7 120.41(9) . . ?
C12_7 O14_7 Ni7_7 121.97(10) . . ?
C11_7 N13_7 C23_7 118.17(13) . . ?
C11_7 N13_7 Ni7_7 119.62(10) . . ?
C23_7 N13_7 Ni7_7 122.16(9) . . ?
C22_7 N14_7 C29_7 118.77(12) . . ?
C22_7 N14_7 Ni7_7 119.87(10) . . ?
C29_7 N14_7 Ni7_7 121.24(9) . . ?
O13_7 C1_7 C10_7 123.82(13) . . ?
O13_7 C1_7 C2_7 117.67(13) . . ?
C10_7 C1_7 C2_7 118.50(12) . . ?
C3_7 C2_7 C1_7 120.87(14) . . ?
C3_7 C2_7 H2_7 119.6 . . ?
C1_7 C2_7 H2_7 119.6 . . ?
C2_7 C3_7 C4_7 121.64(13) . . ?
C2_7 C3_7 H3_7 119.2 . . ?
C4_7 C3_7 H3_7 119.2 . . ?
C5_7 C4_7 C9_7 120.11(15) . . ?
C5_7 C4_7 C3_7 121.21(14) . . ?
C9_7 C4_7 C3_7 118.66(13) . . ?
C6_7 C5_7 C4_7 120.88(15) . . ?
C6_7 C5_7 H5_7 119.6 . . ?
C4_7 C5_7 H5_7 119.6 . . ?
C5_7 C6_7 C7_7 119.56(14) . . ?
C5_7 C6_7 H6_7 120.2 . . ?
C7_7 C6_7 H6_7 120.2 . . ?
C8_7 C7_7 C6_7 120.69(16) . . ?
C8_7 C7_7 H7_7 119.7 . . ?
C6_7 C7_7 H7_7 119.7 . . ?
C7_7 C8_7 C9_7 121.12(15) . . ?
C7_7 C8_7 H8_7 119.4 . . ?
C9_7 C8_7 H8_7 119.4 . . ?
C8_7 C9_7 C4_7 117.62(13) . . ?
C8_7 C9_7 C10_7 122.96(13) . . ?
C4_7 C9_7 C10_7 119.31(13) . . ?
C1_7 C10_7 C9_7 120.62(13) . . ?
C1_7 C10_7 C11_7 118.38(12) . . ?
C9_7 C10_7 C11_7 120.57(13) . . ?
N13_7 C11_7 C10_7 125.24(13) . . ?
N13_7 C11_7 H11_7 117.4 . . ?
C10_7 C11_7 H11_7 117.4 . . ?
O14_7 C12_7 C21_7 123.92(12) . . ?
O14_7 C12_7 C13_7 117.42(14) . . ?
C21_7 C12_7 C13_7 118.64(14) . . ?
C14_7 C13_7 C12_7 121.11(15) . . ?
C14_7 C13_7 H13_7 119.4 . . ?
C12_7 C13_7 H13_7 119.4 . . ?
C13_7 C14_7 C15_7 121.33(14) . . ?
C13_7 C14_7 H14_7 119.3 . . ?
C15_7 C14_7 H14_7 119.3 . . ?
C20_7 C15_7 C16_7 119.90(16) . . ?
C20_7 C15_7 C14_7 119.05(14) . . ?
C16_7 C15_7 C14_7 121.03(15) . . ?
C17_7 C16_7 C15_7 120.87(15) . . ?
C17_7 C16_7 H16_7 119.6 . . ?
C15_7 C16_7 H16_7 119.6 . . ?
C16_7 C17_7 C18_7 119.56(16) . . ?
C16_7 C17_7 H17_7 120.2 . . ?
C18_7 C17_7 H17_7 120.2 . . ?
C19_7 C18_7 C17_7 120.71(18) . . ?
C19_7 C18_7 H18_7 119.6 . . ?
C17_7 C18_7 H18_7 119.6 . . ?
C18_7 C19_7 C20_7 121.18(15) . . ?
C18_7 C19_7 H19_7 119.4 . . ?
C20_7 C19_7 H19_7 119.4 . . ?
C19_7 C20_7 C15_7 117.73(13) . . ?
C19_7 C20_7 C21_7 122.84(13) . . ?
C15_7 C20_7 C21_7 119.42(14) . . ?
C12_7 C21_7 C22_7 118.48(13) . . ?
C12_7 C21_7 C20_7 120.12(12) . . ?
C22_7 C21_7 C20_7 120.73(13) . . ?
N14_7 C22_7 C21_7 125.97(13) . . ?
N14_7 C22_7 H22_7 117.0 . . ?
C21_7 C22_7 H22_7 117.0 . . ?
N13_7 C23_7 C24_7 112.79(14) . . ?
N13_7 C23_7 C25_7 110.36(15) . . ?
C24_7 C23_7 C25_7 113.97(17) . . ?
N13_7 C23_7 H23_7 106.4 . . ?
C24_7 C23_7 H23_7 106.4 . . ?
C25_7 C23_7 H23_7 106.4 . . ?
C23_7 C24_7 H24A_7 109.5 . . ?
C23_7 C24_7 H24B_7 109.5 . . ?
H24A_7 C24_7 H24B_7 109.5 . . ?
C23_7 C24_7 H24C_7 109.5 . . ?
H24A_7 C24_7 H24C_7 109.5 . . ?
H24B_7 C24_7 H24C_7 109.5 . . ?
C26_7 C25_7 C28_7 111.1(2) . . ?
C26_7 C25_7 C27_7 107.96(19) . . ?
C28_7 C25_7 C27_7 107.7(2) . . ?
C26_7 C25_7 C23_7 111.54(15) . . ?
C28_7 C25_7 C23_7 108.77(16) . . ?
C27_7 C25_7 C23_7 109.7(2) . . ?
C25_7 C26_7 H26A_7 109.5 . . ?
C25_7 C26_7 H26B_7 109.5 . . ?
H26A_7 C26_7 H26B_7 109.5 . . ?
C25_7 C26_7 H26C_7 109.5 . . ?
H26A_7 C26_7 H26C_7 109.5 . . ?
H26B_7 C26_7 H26C_7 109.5 . . ?
C25_7 C27_7 H27A_7 109.5 . . ?
C25_7 C27_7 H27B_7 109.5 . . ?
H27A_7 C27_7 H27B_7 109.5 . . ?
C25_7 C27_7 H27C_7 109.5 . . ?
H27A_7 C27_7 H27C_7 109.5 . . ?
H27B_7 C27_7 H27C_7 109.5 . . ?
C25_7 C28_7 H28A_7 109.5 . . ?
C25_7 C28_7 H28B_7 109.5 . . ?
H28A_7 C28_7 H28B_7 109.5 . . ?
C25_7 C28_7 H28C_7 109.5 . . ?
H28A_7 C28_7 H28C_7 109.5 . . ?
H28B_7 C28_7 H28C_7 109.5 . . ?
N14_7 C29_7 C30_7 111.79(11) . . ?
N14_7 C29_7 C31_7 111.52(11) . . ?
C30_7 C29_7 C31_7 115.17(12) . . ?
N14_7 C29_7 H29_7 105.9 . . ?
C30_7 C29_7 H29_7 105.9 . . ?
C31_7 C29_7 H29_7 105.9 . . ?
C29_7 C30_7 H30A_7 109.5 . . ?
C29_7 C30_7 H30B_7 109.5 . . ?
H30A_7 C30_7 H30B_7 109.5 . . ?
C29_7 C30_7 H30C_7 109.5 . . ?
H30A_7 C30_7 H30C_7 109.5 . . ?
H30B_7 C30_7 H30C_7 109.5 . . ?
C34_7 C31_7 C32_7 109.41(15) . . ?
C34_7 C31_7 C33_7 108.34(14) . . ?
C32_7 C31_7 C33_7 108.52(14) . . ?
C34_7 C31_7 C29_7 114.31(12) . . ?
C32_7 C31_7 C29_7 108.38(13) . . ?
C33_7 C31_7 C29_7 107.72(12) . . ?
C31_7 C32_7 H32A_7 109.5 . . ?
C31_7 C32_7 H32B_7 109.5 . . ?
H32A_7 C32_7 H32B_7 109.5 . . ?
C31_7 C32_7 H32C_7 109.5 . . ?
H32A_7 C32_7 H32C_7 109.5 . . ?
H32B_7 C32_7 H32C_7 109.5 . . ?
C31_7 C33_7 H33A_7 109.5 . . ?
C31_7 C33_7 H33B_7 109.5 . . ?
H33A_7 C33_7 H33B_7 109.5 . . ?
C31_7 C33_7 H33C_7 109.5 . . ?
H33A_7 C33_7 H33C_7 109.5 . . ?
H33B_7 C33_7 H33C_7 109.5 . . ?
C31_7 C34_7 H34A_7 109.5 . . ?
C31_7 C34_7 H34B_7 109.5 . . ?
H34A_7 C34_7 H34B_7 109.5 . . ?
C31_7 C34_7 H34C_7 109.5 . . ?
H34A_7 C34_7 H34C_7 109.5 . . ?
H34B_7 C34_7 H34C_7 109.5 . . ?
O16_8 Ni8_8 O15_8 179.00(5) . . ?
O16_8 Ni8_8 N16_8 91.54(5) . . ?
O15_8 Ni8_8 N16_8 89.15(5) . . ?
O16_8 Ni8_8 N15_8 89.53(5) . . ?
O15_8 Ni8_8 N15_8 89.70(5) . . ?
N16_8 Ni8_8 N15_8 173.62(5) . . ?
C1_8 O15_8 Ni8_8 118.34(9) . . ?
C12_8 O16_8 Ni8_8 122.44(9) . . ?
C11_8 N15_8 C23_8 118.81(11) . . ?
C11_8 N15_8 Ni8_8 119.52(9) . . ?
C23_8 N15_8 Ni8_8 121.66(9) . . ?
C22_8 N16_8 C29_8 118.70(11) . . ?
C22_8 N16_8 Ni8_8 120.21(10) . . ?
C29_8 N16_8 Ni8_8 121.00(9) . . ?
O15_8 C1_8 C10_8 123.73(12) . . ?
O15_8 C1_8 C2_8 117.87(12) . . ?
C10_8 C1_8 C2_8 118.37(12) . . ?
C3_8 C2_8 C1_8 120.72(13) . . ?
C3_8 C2_8 H2_8 119.6 . . ?
C1_8 C2_8 H2_8 119.6 . . ?
C2_8 C3_8 C4_8 121.66(12) . . ?
C2_8 C3_8 H3_8 119.2 . . ?
C4_8 C3_8 H3_8 119.2 . . ?
C5_8 C4_8 C9_8 119.83(13) . . ?
C5_8 C4_8 C3_8 121.53(13) . . ?
C9_8 C4_8 C3_8 118.60(12) . . ?
C6_8 C5_8 C4_8 120.77(13) . . ?
C6_8 C5_8 H5_8 119.6 . . ?
C4_8 C5_8 H5_8 119.6 . . ?
C5_8 C6_8 C7_8 119.84(13) . . ?
C5_8 C6_8 H6_8 120.1 . . ?
C7_8 C6_8 H6_8 120.1 . . ?
C8_8 C7_8 C6_8 120.37(14) . . ?
C8_8 C7_8 H7_8 119.8 . . ?
C6_8 C7_8 H7_8 119.8 . . ?
C7_8 C8_8 C9_8 121.43(13) . . ?
C7_8 C8_8 H8_8 119.3 . . ?
C9_8 C8_8 H8_8 119.3 . . ?
C8_8 C9_8 C4_8 117.75(12) . . ?
C8_8 C9_8 C10_8 123.06(12) . . ?
C4_8 C9_8 C10_8 119.04(12) . . ?
C1_8 C10_8 C9_8 120.97(12) . . ?
C1_8 C10_8 C11_8 118.14(11) . . ?
C9_8 C10_8 C11_8 120.63(12) . . ?
N15_8 C11_8 C10_8 124.46(12) . . ?
N15_8 C11_8 H11_8 117.8 . . ?
C10_8 C11_8 H11_8 117.8 . . ?
O16_8 C12_8 C21_8 123.90(12) . . ?
O16_8 C12_8 C13_8 117.45(13) . . ?
C21_8 C12_8 C13_8 118.65(13) . . ?
C14_8 C13_8 C12_8 121.21(15) . . ?
C14_8 C13_8 H13_8 119.4 . . ?
C12_8 C13_8 H13_8 119.4 . . ?
C13_8 C14_8 C15_8 121.19(13) . . ?
C13_8 C14_8 H14_8 119.4 . . ?
C15_8 C14_8 H14_8 119.4 . . ?
C20_8 C15_8 C16_8 120.04(15) . . ?
C20_8 C15_8 C14_8 119.04(13) . . ?
C16_8 C15_8 C14_8 120.91(14) . . ?
C17_8 C16_8 C15_8 120.56(15) . . ?
C17_8 C16_8 H16_8 119.7 . . ?
C15_8 C16_8 H16_8 119.7 . . ?
C16_8 C17_8 C18_8 119.88(15) . . ?
C16_8 C17_8 H17_8 120.1 . . ?
C18_8 C17_8 H17_8 120.1 . . ?
C19_8 C18_8 C17_8 120.40(17) . . ?
C19_8 C18_8 H18_8 119.8 . . ?
C17_8 C18_8 H18_8 119.8 . . ?
C18_8 C19_8 C20_8 121.13(15) . . ?
C18_8 C19_8 H19_8 119.4 . . ?
C20_8 C19_8 H19_8 119.4 . . ?
C15_8 C20_8 C19_8 117.94(13) . . ?
C15_8 C20_8 C21_8 119.53(14) . . ?
C19_8 C20_8 C21_8 122.50(13) . . ?
C12_8 C21_8 C22_8 118.82(12) . . ?
C12_8 C21_8 C20_8 119.99(12) . . ?
C22_8 C21_8 C20_8 120.50(13) . . ?
N16_8 C22_8 C21_8 125.77(13) . . ?
N16_8 C22_8 H22_8 117.1 . . ?
C21_8 C22_8 H22_8 117.1 . . ?
N15_8 C23_8 C24_8 112.72(11) . . ?
N15_8 C23_8 C25_8 109.67(11) . . ?
C24_8 C23_8 C25_8 113.91(13) . . ?
N15_8 C23_8 H23_8 106.7 . . ?
C24_8 C23_8 H23_8 106.7 . . ?
C25_8 C23_8 H23_8 106.7 . . ?
C23_8 C24_8 H24A_8 109.5 . . ?
C23_8 C24_8 H24B_8 109.5 . . ?
H24A_8 C24_8 H24B_8 109.5 . . ?
C23_8 C24_8 H24C_8 109.5 . . ?
H24A_8 C24_8 H24C_8 109.5 . . ?
H24B_8 C24_8 H24C_8 109.5 . . ?
C28_8 C25_8 C26_8 109.10(13) . . ?
C28_8 C25_8 C27_8 108.15(13) . . ?
C26_8 C25_8 C27_8 108.13(15) . . ?
C28_8 C25_8 C23_8 109.39(13) . . ?
C26_8 C25_8 C23_8 112.17(12) . . ?
C27_8 C25_8 C23_8 109.82(12) . . ?
C25_8 C26_8 H26A_8 109.5 . . ?
C25_8 C26_8 H26B_8 109.5 . . ?
H26A_8 C26_8 H26B_8 109.5 . . ?
C25_8 C26_8 H26C_8 109.5 . . ?
H26A_8 C26_8 H26C_8 109.5 . . ?
H26B_8 C26_8 H26C_8 109.5 . . ?
C25_8 C27_8 H27A_8 109.5 . . ?
C25_8 C27_8 H27B_8 109.5 . . ?
H27A_8 C27_8 H27B_8 109.5 . . ?
C25_8 C27_8 H27C_8 109.5 . . ?
H27A_8 C27_8 H27C_8 109.5 . . ?
H27B_8 C27_8 H27C_8 109.5 . . ?
C25_8 C28_8 H28A_8 109.5 . . ?
C25_8 C28_8 H28B_8 109.5 . . ?
H28A_8 C28_8 H28B_8 109.5 . . ?
C25_8 C28_8 H28C_8 109.5 . . ?
H28A_8 C28_8 H28C_8 109.5 . . ?
H28B_8 C28_8 H28C_8 109.5 . . ?
N16_8 C29_8 C30_8 111.79(11) . . ?
N16_8 C29_8 C31_8 111.36(11) . . ?
C30_8 C29_8 C31_8 115.53(12) . . ?
N16_8 C29_8 H29_8 105.8 . . ?
C30_8 C29_8 H29_8 105.8 . . ?
C31_8 C29_8 H29_8 105.8 . . ?
C29_8 C30_8 H30A_8 109.5 . . ?
C29_8 C30_8 H30B_8 109.5 . . ?
H30A_8 C30_8 H30B_8 109.5 . . ?
C29_8 C30_8 H30C_8 109.5 . . ?
H30A_8 C30_8 H30C_8 109.5 . . ?
H30B_8 C30_8 H30C_8 109.5 . . ?
C33_8 C31_8 C34_8 109.43(14) . . ?
C33_8 C31_8 C32_8 108.31(13) . . ?
C34_8 C31_8 C32_8 108.45(14) . . ?
C33_8 C31_8 C29_8 114.24(12) . . ?
C34_8 C31_8 C29_8 108.39(12) . . ?
C32_8 C31_8 C29_8 107.89(12) . . ?
C31_8 C32_8 H32A_8 109.5 . . ?
C31_8 C32_8 H32B_8 109.5 . . ?
H32A_8 C32_8 H32B_8 109.5 . . ?
C31_8 C32_8 H32C_8 109.5 . . ?
H32A_8 C32_8 H32C_8 109.5 . . ?
H32B_8 C32_8 H32C_8 109.5 . . ?
C31_8 C33_8 H33A_8 109.5 . . ?
C31_8 C33_8 H33B_8 109.5 . . ?
H33A_8 C33_8 H33B_8 109.5 . . ?
C31_8 C33_8 H33C_8 109.5 . . ?
H33A_8 C33_8 H33C_8 109.5 . . ?
H33B_8 C33_8 H33C_8 109.5 . . ?
C31_8 C34_8 H34A_8 109.5 . . ?
C31_8 C34_8 H34B_8 109.5 . . ?
H34A_8 C34_8 H34B_8 109.5 . . ?
C31_8 C34_8 H34C_8 109.5 . . ?
H34A_8 C34_8 H34C_8 109.5 . . ?
H34B_8 C34_8 H34C_8 109.5 . . ?
O18_9 Ni9_9 O17_9 178.29(5) . . ?
O18_9 Ni9_9 N17_9 88.35(5) . . ?
O17_9 Ni9_9 N17_9 91.27(5) . . ?
O18_9 Ni9_9 N18_9 90.28(5) . . ?
O17_9 Ni9_9 N18_9 89.97(5) . . ?
N17_9 Ni9_9 N18_9 175.20(5) . . ?
C1_9 O17_9 Ni9_9 122.14(9) . . ?
C12_9 O18_9 Ni9_9 120.48(9) . . ?
C11_9 N17_9 C23_9 118.91(11) . . ?
C11_9 N17_9 Ni9_9 120.14(10) . . ?
C23_9 N17_9 Ni9_9 120.89(9) . . ?
C22_9 N18_9 C29_9 118.12(11) . . ?
C22_9 N18_9 Ni9_9 120.20(9) . . ?
C29_9 N18_9 Ni9_9 121.69(9) . . ?
O17_9 C1_9 C10_9 123.95(12) . . ?
O17_9 C1_9 C2_9 117.59(13) . . ?
C10_9 C1_9 C2_9 118.45(13) . . ?
C3_9 C2_9 C1_9 121.10(15) . . ?
C3_9 C2_9 H2_9 119.5 . . ?
C1_9 C2_9 H2_9 119.5 . . ?
C2_9 C3_9 C4_9 121.53(14) . . ?
C2_9 C3_9 H3_9 119.2 . . ?
C4_9 C3_9 H3_9 119.2 . . ?
C9_9 C4_9 C5_9 119.92(15) . . ?
C9_9 C4_9 C3_9 118.87(13) . . ?
C5_9 C4_9 C3_9 121.20(14) . . ?
C6_9 C5_9 C4_9 120.74(15) . . ?
C6_9 C5_9 H5_9 119.6 . . ?
C4_9 C5_9 H5_9 119.6 . . ?
C5_9 C6_9 C7_9 119.81(15) . . ?
C5_9 C6_9 H6_9 120.1 . . ?
C7_9 C6_9 H6_9 120.1 . . ?
C8_9 C7_9 C6_9 120.38(17) . . ?
C8_9 C7_9 H7_9 119.8 . . ?
C6_9 C7_9 H7_9 119.8 . . ?
C7_9 C8_9 C9_9 121.17(15) . . ?
C7_9 C8_9 H8_9 119.4 . . ?
C9_9 C8_9 H8_9 119.4 . . ?
C8_9 C9_9 C4_9 117.93(13) . . ?
C8_9 C9_9 C10_9 122.53(13) . . ?
C4_9 C9_9 C10_9 119.51(14) . . ?
C1_9 C10_9 C11_9 118.65(12) . . ?
C1_9 C10_9 C9_9 120.18(12) . . ?
C11_9 C10_9 C9_9 120.31(13) . . ?
N17_9 C11_9 C10_9 125.43(13) . . ?
N17_9 C11_9 H11_9 117.3 . . ?
C10_9 C11_9 H11_9 117.3 . . ?
O18_9 C12_9 C21_9 124.01(12) . . ?
O18_9 C12_9 C13_9 117.79(12) . . ?
C21_9 C12_9 C13_9 118.18(12) . . ?
C14_9 C13_9 C12_9 120.91(13) . . ?
C14_9 C13_9 H13_9 119.5 . . ?
C12_9 C13_9 H13_9 119.5 . . ?
C13_9 C14_9 C15_9 121.80(12) . . ?
C13_9 C14_9 H14_9 119.1 . . ?
C15_9 C14_9 H14_9 119.1 . . ?
C16_9 C15_9 C20_9 120.08(14) . . ?
C16_9 C15_9 C14_9 121.61(13) . . ?
C20_9 C15_9 C14_9 118.29(12) . . ?
C17_9 C16_9 C15_9 120.96(14) . . ?
C17_9 C16_9 H16_9 119.5 . . ?
C15_9 C16_9 H16_9 119.5 . . ?
C16_9 C17_9 C18_9 119.53(14) . . ?
C16_9 C17_9 H17_9 120.2 . . ?
C18_9 C17_9 H17_9 120.2 . . ?
C19_9 C18_9 C17_9 120.68(16) . . ?
C19_9 C18_9 H18_9 119.7 . . ?
C17_9 C18_9 H18_9 119.7 . . ?
C18_9 C19_9 C20_9 121.23(14) . . ?
C18_9 C19_9 H19_9 119.4 . . ?
C20_9 C19_9 H19_9 119.4 . . ?
C19_9 C20_9 C15_9 117.51(12) . . ?
C19_9 C20_9 C21_9 122.92(12) . . ?
C15_9 C20_9 C21_9 119.45(13) . . ?
C12_9 C21_9 C20_9 120.83(12) . . ?
C12_9 C21_9 C22_9 118.01(11) . . ?
C20_9 C21_9 C22_9 120.71(12) . . ?
N18_9 C22_9 C21_9 125.00(12) . . ?
N18_9 C22_9 H22_9 117.5 . . ?
C21_9 C22_9 H22_9 117.5 . . ?
N17_9 C23_9 C24_9 111.75(11) . . ?
N17_9 C23_9 C25_9 111.34(11) . . ?
C24_9 C23_9 C25_9 115.24(12) . . ?
N17_9 C23_9 H23_9 105.9 . . ?
C24_9 C23_9 H23_9 105.9 . . ?
C25_9 C23_9 H23_9 105.9 . . ?
C23_9 C24_9 H24A_9 109.5 . . ?
C23_9 C24_9 H24B_9 109.5 . . ?
H24A_9 C24_9 H24B_9 109.5 . . ?
C23_9 C24_9 H24C_9 109.5 . . ?
H24A_9 C24_9 H24C_9 109.5 . . ?
H24B_9 C24_9 H24C_9 109.5 . . ?
C26_9 C25_9 C28_9 108.45(13) . . ?
C26_9 C25_9 C27_9 108.85(14) . . ?
C28_9 C25_9 C27_9 108.63(13) . . ?
C26_9 C25_9 C23_9 114.23(12) . . ?
C28_9 C25_9 C23_9 108.00(12) . . ?
C27_9 C25_9 C23_9 108.56(12) . . ?
C25_9 C26_9 H26A_9 109.5 . . ?
C25_9 C26_9 H26B_9 109.5 . . ?
H26A_9 C26_9 H26B_9 109.5 . . ?
C25_9 C26_9 H26C_9 109.5 . . ?
H26A_9 C26_9 H26C_9 109.5 . . ?
H26B_9 C26_9 H26C_9 109.5 . . ?
C25_9 C27_9 H27A_9 109.5 . . ?
C25_9 C27_9 H27B_9 109.5 . . ?
H27A_9 C27_9 H27B_9 109.5 . . ?
C25_9 C27_9 H27C_9 109.5 . . ?
H27A_9 C27_9 H27C_9 109.5 . . ?
H27B_9 C27_9 H27C_9 109.5 . . ?
C25_9 C28_9 H28A_9 109.5 . . ?
C25_9 C28_9 H28B_9 109.5 . . ?
H28A_9 C28_9 H28B_9 109.5 . . ?
C25_9 C28_9 H28C_9 109.5 . . ?
H28A_9 C28_9 H28C_9 109.5 . . ?
H28B_9 C28_9 H28C_9 109.5 . . ?
N18_9 C29_9 C30_9 112.84(11) . . ?
N18_9 C29_9 C31_9 109.73(11) . . ?
C30_9 C29_9 C31_9 114.04(13) . . ?
N18_9 C29_9 H29_9 106.6 . . ?
C30_9 C29_9 H29_9 106.6 . . ?
C31_9 C29_9 H29_9 106.6 . . ?
C29_9 C30_9 H30A_9 109.5 . . ?
C29_9 C30_9 H30B_9 109.5 . . ?
H30A_9 C30_9 H30B_9 109.5 . . ?
C29_9 C30_9 H30C_9 109.5 . . ?
H30A_9 C30_9 H30C_9 109.5 . . ?
H30B_9 C30_9 H30C_9 109.5 . . ?
C34_9 C31_9 C33_9 108.78(12) . . ?
C34_9 C31_9 C32_9 108.55(14) . . ?
C33_9 C31_9 C32_9 108.62(13) . . ?
C34_9 C31_9 C29_9 112.11(12) . . ?
C33_9 C31_9 C29_9 108.98(12) . . ?
C32_9 C31_9 C29_9 109.73(12) . . ?
C31_9 C32_9 H32A_9 109.5 . . ?
C31_9 C32_9 H32B_9 109.5 . . ?
H32A_9 C32_9 H32B_9 109.5 . . ?
C31_9 C32_9 H32C_9 109.5 . . ?
H32A_9 C32_9 H32C_9 109.5 . . ?
H32B_9 C32_9 H32C_9 109.5 . . ?
C31_9 C33_9 H33A_9 109.5 . . ?
C31_9 C33_9 H33B_9 109.5 . . ?
H33A_9 C33_9 H33B_9 109.5 . . ?
C31_9 C33_9 H33C_9 109.5 . . ?
H33A_9 C33_9 H33C_9 109.5 . . ?
H33B_9 C33_9 H33C_9 109.5 . . ?
C31_9 C34_9 H34A_9 109.5 . . ?
C31_9 C34_9 H34B_9 109.5 . . ?
H34A_9 C34_9 H34B_9 109.5 . . ?
C31_9 C34_9 H34C_9 109.5 . . ?
H34A_9 C34_9 H34C_9 109.5 . . ?
H34B_9 C34_9 H34C_9 109.5 . . ?
O19_10 Ni10_10 O20_10 178.37(5) . . ?
O19_10 Ni10_10 N19_10 91.09(5) . . ?
O20_10 Ni10_10 N19_10 88.74(5) . . ?
O19_10 Ni10_10 N20_10 89.41(5) . . ?
O20_10 Ni10_10 N20_10 90.62(5) . . ?
N19_10 Ni10_10 N20_10 175.07(5) . . ?
C1_10 O19_10 Ni10_10 122.64(9) . . ?
C12_10 O20_10 Ni10_10 120.35(9) . . ?
C11_10 N19_10 C23_10 118.87(12) . . ?
C11_10 N19_10 Ni10_10 120.59(10) . . ?
C23_10 N19_10 Ni10_10 120.52(9) . . ?
C22_10 N20_10 C29_10 118.07(11) . . ?
C22_10 N20_10 Ni10_10 119.98(10) . . ?
C29_10 N20_10 Ni10_10 121.90(9) . . ?
O19_10 C1_10 C10_10 123.63(12) . . ?
O19_10 C1_10 C2_10 117.64(13) . . ?
C10_10 C1_10 C2_10 118.71(12) . . ?
C3_10 C2_10 C1_10 121.40(14) . . ?
C3_10 C2_10 H2_10 119.3 . . ?
C1_10 C2_10 H2_10 119.3 . . ?
C2_10 C3_10 C4_10 121.07(13) . . ?
C2_10 C3_10 H3_10 119.5 . . ?
C4_10 C3_10 H3_10 119.5 . . ?
C5_10 C4_10 C9_10 120.14(14) . . ?
C5_10 C4_10 C3_10 120.86(13) . . ?
C9_10 C4_10 C3_10 118.97(13) . . ?
C6_10 C5_10 C4_10 120.74(14) . . ?
C6_10 C5_10 H5_10 119.6 . . ?
C4_10 C5_10 H5_10 119.6 . . ?
C5_10 C6_10 C7_10 119.58(14) . . ?
C5_10 C6_10 H6_10 120.2 . . ?
C7_10 C6_10 H6_10 120.2 . . ?
C8_10 C7_10 C6_10 120.62(15) . . ?
C8_10 C7_10 H7_10 119.7 . . ?
C6_10 C7_10 H7_10 119.7 . . ?
C7_10 C8_10 C9_10 121.14(14) . . ?
C7_10 C8_10 H8_10 119.4 . . ?
C9_10 C8_10 H8_10 119.4 . . ?
C8_10 C9_10 C4_10 117.75(13) . . ?
C8_10 C9_10 C10_10 122.67(12) . . ?
C4_10 C9_10 C10_10 119.55(13) . . ?
C1_10 C10_10 C11_10 118.73(12) . . ?
C1_10 C10_10 C9_10 119.91(12) . . ?
C11_10 C10_10 C9_10 120.66(12) . . ?
N19_10 C11_10 C10_10 125.57(13) . . ?
N19_10 C11_10 H11_10 117.2 . . ?
C10_10 C11_10 H11_10 117.2 . . ?
O20_10 C12_10 C21_10 123.72(12) . . ?
O20_10 C12_10 C13_10 117.69(13) . . ?
C21_10 C12_10 C13_10 118.57(12) . . ?
C14_10 C13_10 C12_10 120.82(14) . . ?
C14_10 C13_10 H13_10 119.6 . . ?
C12_10 C13_10 H13_10 119.6 . . ?
C13_10 C14_10 C15_10 121.70(13) . . ?
C13_10 C14_10 H14_10 119.1 . . ?
C15_10 C14_10 H14_10 119.1 . . ?
C16_10 C15_10 C20_10 119.77(16) . . ?
C16_10 C15_10 C14_10 121.29(15) . . ?
C20_10 C15_10 C14_10 118.90(13) . . ?
C17_10 C16_10 C15_10 120.97(17) . . ?
C17_10 C16_10 H16_10 119.5 . . ?
C15_10 C16_10 H16_10 119.5 . . ?
C16_10 C17_10 C18_10 119.70(16) . . ?
C16_10 C17_10 H17_10 120.1 . . ?
C18_10 C17_10 H17_10 120.1 . . ?
C19_10 C18_10 C17_10 120.48(19) . . ?
C19_10 C18_10 H18_10 119.8 . . ?
C17_10 C18_10 H18_10 119.8 . . ?
C18_10 C19_10 C20_10 121.27(17) . . ?
C18_10 C19_10 H19_10 119.4 . . ?
C20_10 C19_10 H19_10 119.4 . . ?
C19_10 C20_10 C15_10 117.78(13) . . ?
C19_10 C20_10 C21_10 123.07(13) . . ?
C15_10 C20_10 C21_10 119.03(13) . . ?
C12_10 C21_10 C20_10 120.65(12) . . ?
C12_10 C21_10 C22_10 118.59(12) . . ?
C20_10 C21_10 C22_10 120.44(12) . . ?
N20_10 C22_10 C21_10 125.27(12) . . ?
N20_10 C22_10 H22_10 117.4 . . ?
C21_10 C22_10 H22_10 117.4 . . ?
N19_10 C23_10 C24_10 112.36(11) . . ?
N19_10 C23_10 C25_10 110.82(11) . . ?
C24_10 C23_10 C25_10 115.01(12) . . ?
N19_10 C23_10 H23_10 106.0 . . ?
C24_10 C23_10 H23_10 106.0 . . ?
C25_10 C23_10 H23_10 106.0 . . ?
C23_10 C24_10 H24A_10 109.5 . . ?
C23_10 C24_10 H24B_10 109.5 . . ?
H24A_10 C24_10 H24B_10 109.5 . . ?
C23_10 C24_10 H24C_10 109.5 . . ?
H24A_10 C24_10 H24C_10 109.5 . . ?
H24B_10 C24_10 H24C_10 109.5 . . ?
C27_10 C25_10 C28_10 109.36(15) . . ?
C27_10 C25_10 C26_10 108.42(13) . . ?
C28_10 C25_10 C26_10 108.11(14) . . ?
C27_10 C25_10 C23_10 113.95(12) . . ?
C28_10 C25_10 C23_10 108.95(13) . . ?
C26_10 C25_10 C23_10 107.90(12) . . ?
C25_10 C26_10 H26A_10 109.5 . . ?
C25_10 C26_10 H26B_10 109.5 . . ?
H26A_10 C26_10 H26B_10 109.5 . . ?
C25_10 C26_10 H26C_10 109.5 . . ?
H26A_10 C26_10 H26C_10 109.5 . . ?
H26B_10 C26_10 H26C_10 109.5 . . ?
C25_10 C27_10 H27A_10 109.5 . . ?
C25_10 C27_10 H27B_10 109.5 . . ?
H27A_10 C27_10 H27B_10 109.5 . . ?
C25_10 C27_10 H27C_10 109.5 . . ?
H27A_10 C27_10 H27C_10 109.5 . . ?
H27B_10 C27_10 H27C_10 109.5 . . ?
C25_10 C28_10 H28A_10 109.5 . . ?
C25_10 C28_10 H28B_10 109.5 . . ?
H28A_10 C28_10 H28B_10 109.5 . . ?
C25_10 C28_10 H28C_10 109.5 . . ?
H28A_10 C28_10 H28C_10 109.5 . . ?
H28B_10 C28_10 H28C_10 109.5 . . ?
N20_10 C29_10 C30_10 112.39(11) . . ?
N20_10 C29_10 C31_10 111.15(11) . . ?
C30_10 C29_10 C31_10 114.35(12) . . ?
N20_10 C29_10 H29_10 106.1 . . ?
C30_10 C29_10 H29_10 106.1 . . ?
C31_10 C29_10 H29_10 106.1 . . ?
C29_10 C30_10 H30A_10 109.5 . . ?
C29_10 C30_10 H30B_10 109.5 . . ?
H30A_10 C30_10 H30B_10 109.5 . . ?
C29_10 C30_10 H30C_10 109.5 . . ?
H30A_10 C30_10 H30C_10 109.5 . . ?
H30B_10 C30_10 H30C_10 109.5 . . ?
C34_10 C31_10 C32_10 109.96(14) . . ?
C34_10 C31_10 C33_10 107.86(13) . . ?
C32_10 C31_10 C33_10 108.80(15) . . ?
C34_10 C31_10 C29_10 112.15(12) . . ?
C32_10 C31_10 C29_10 108.91(12) . . ?
C33_10 C31_10 C29_10 109.11(12) . . ?
C31_10 C32_10 H32A_10 109.5 . . ?
C31_10 C32_10 H32B_10 109.5 . . ?
H32A_10 C32_10 H32B_10 109.5 . . ?
C31_10 C32_10 H32C_10 109.5 . . ?
H32A_10 C32_10 H32C_10 109.5 . . ?
H32B_10 C32_10 H32C_10 109.5 . . ?
C31_10 C33_10 H33A_10 109.5 . . ?
C31_10 C33_10 H33B_10 109.5 . . ?
H33A_10 C33_10 H33B_10 109.5 . . ?
C31_10 C33_10 H33C_10 109.5 . . ?
H33A_10 C33_10 H33C_10 109.5 . . ?
H33B_10 C33_10 H33C_10 109.5 . . ?
C31_10 C34_10 H34A_10 109.5 . . ?
C31_10 C34_10 H34B_10 109.5 . . ?
H34A_10 C34_10 H34B_10 109.5 . . ?
C31_10 C34_10 H34C_10 109.5 . . ?
H34A_10 C34_10 H34C_10 109.5 . . ?
H34B_10 C34_10 H34C_10 109.5 . . ?
O21_11 Ni11_11 O22_11 179.11(5) . . ?
O21_11 Ni11_11 N21_11 91.53(5) . . ?
O22_11 Ni11_11 N21_11 89.08(5) . . ?
O21_11 Ni11_11 N22_11 89.58(5) . . ?
O22_11 Ni11_11 N22_11 89.74(5) . . ?
N21_11 Ni11_11 N22_11 173.52(5) . . ?
C1_11 O21_11 Ni11_11 122.97(9) . . ?
C12_11 O22_11 Ni11_11 119.01(9) . . ?
C11_11 N21_11 C23_11 118.36(12) . . ?
C11_11 N21_11 Ni11_11 120.81(10) . . ?
C23_11 N21_11 Ni11_11 120.79(9) . . ?
C22_11 N22_11 C29_11 118.97(12) . . ?
C22_11 N22_11 Ni11_11 119.47(10) . . ?
C29_11 N22_11 Ni11_11 121.54(9) . . ?
O21_11 C1_11 C10_11 123.68(12) . . ?
O21_11 C1_11 C2_11 117.53(13) . . ?
C10_11 C1_11 C2_11 118.78(13) . . ?
C3_11 C2_11 C1_11 121.40(15) . . ?
C3_11 C2_11 H2_11 119.3 . . ?
C1_11 C2_11 H2_11 119.3 . . ?
C2_11 C3_11 C4_11 121.32(13) . . ?
C2_11 C3_11 H3_11 119.3 . . ?
C4_11 C3_11 H3_11 119.3 . . ?
C5_11 C4_11 C9_11 120.33(15) . . ?
C5_11 C4_11 C3_11 120.96(14) . . ?
C9_11 C4_11 C3_11 118.70(13) . . ?
C6_11 C5_11 C4_11 120.67(14) . . ?
C6_11 C5_11 H5_11 119.7 . . ?
C4_11 C5_11 H5_11 119.7 . . ?
C5_11 C6_11 C7_11 119.39(14) . . ?
C5_11 C6_11 H6_11 120.3 . . ?
C7_11 C6_11 H6_11 120.3 . . ?
C8_11 C7_11 C6_11 120.78(16) . . ?
C8_11 C7_11 H7_11 119.6 . . ?
C6_11 C7_11 H7_11 119.6 . . ?
C7_11 C8_11 C9_11 121.12(14) . . ?
C7_11 C8_11 H8_11 119.4 . . ?
C9_11 C8_11 H8_11 119.4 . . ?
C8_11 C9_11 C4_11 117.67(13) . . ?
C8_11 C9_11 C10_11 122.69(12) . . ?
C4_11 C9_11 C10_11 119.61(13) . . ?
C1_11 C10_11 C11_11 119.13(12) . . ?
C1_11 C10_11 C9_11 119.90(12) . . ?
C11_11 C10_11 C9_11 120.35(12) . . ?
N21_11 C11_11 C10_11 125.62(13) . . ?
N21_11 C11_11 H11_11 117.2 . . ?
C10_11 C11_11 H11_11 117.2 . . ?
O22_11 C12_11 C21_11 123.54(12) . . ?
O22_11 C12_11 C13_11 117.84(12) . . ?
C21_11 C12_11 C13_11 118.61(12) . . ?
C14_11 C13_11 C12_11 120.95(13) . . ?
C14_11 C13_11 H13_11 119.5 . . ?
C12_11 C13_11 H13_11 119.5 . . ?
C13_11 C14_11 C15_11 121.57(13) . . ?
C13_11 C14_11 H14_11 119.2 . . ?
C15_11 C14_11 H14_11 119.2 . . ?
C16_11 C15_11 C20_11 120.05(14) . . ?
C16_11 C15_11 C14_11 121.26(13) . . ?
C20_11 C15_11 C14_11 118.67(12) . . ?
C17_11 C16_11 C15_11 120.84(14) . . ?
C17_11 C16_11 H16_11 119.6 . . ?
C15_11 C16_11 H16_11 119.6 . . ?
C16_11 C17_11 C18_11 119.73(14) . . ?
C16_11 C17_11 H17_11 120.1 . . ?
C18_11 C17_11 H17_11 120.1 . . ?
C19_11 C18_11 C17_11 120.59(15) . . ?
C19_11 C18_11 H18_11 119.7 . . ?
C17_11 C18_11 H18_11 119.7 . . ?
C18_11 C19_11 C20_11 121.18(14) . . ?
C18_11 C19_11 H19_11 119.4 . . ?
C20_11 C19_11 H19_11 119.4 . . ?
C19_11 C20_11 C15_11 117.62(12) . . ?
C19_11 C20_11 C21_11 123.17(12) . . ?
C15_11 C20_11 C21_11 119.10(12) . . ?
C12_11 C21_11 C20_11 120.60(12) . . ?
C12_11 C21_11 C22_11 118.25(12) . . ?
C20_11 C21_11 C22_11 120.89(12) . . ?
N22_11 C22_11 C21_11 124.85(12) . . ?
N22_11 C22_11 H22_11 117.6 . . ?
C21_11 C22_11 H22_11 117.6 . . ?
N21_11 C23_11 C24_11 111.91(11) . . ?
N21_11 C23_11 C25_11 111.59(11) . . ?
C24_11 C23_11 C25_11 114.95(12) . . ?
N21_11 C23_11 H23_11 105.9 . . ?
C24_11 C23_11 H23_11 105.9 . . ?
C25_11 C23_11 H23_11 105.9 . . ?
C23_11 C24_11 H24A_11 109.5 . . ?
C23_11 C24_11 H24B_11 109.5 . . ?
H24A_11 C24_11 H24B_11 109.5 . . ?
C23_11 C24_11 H24C_11 109.5 . . ?
H24A_11 C24_11 H24C_11 109.5 . . ?
H24B_11 C24_11 H24C_11 109.5 . . ?
C27_11 C25_11 C28_11 109.21(14) . . ?
C27_11 C25_11 C26_11 108.42(13) . . ?
C28_11 C25_11 C26_11 108.31(13) . . ?
C27_11 C25_11 C23_11 114.16(12) . . ?
C28_11 C25_11 C23_11 108.41(12) . . ?
C26_11 C25_11 C23_11 108.19(12) . . ?
C25_11 C26_11 H26A_11 109.5 . . ?
C25_11 C26_11 H26B_11 109.5 . . ?
H26A_11 C26_11 H26B_11 109.5 . . ?
C25_11 C26_11 H26C_11 109.5 . . ?
H26A_11 C26_11 H26C_11 109.5 . . ?
H26B_11 C26_11 H26C_11 109.5 . . ?
C25_11 C27_11 H27A_11 109.5 . . ?
C25_11 C27_11 H27B_11 109.5 . . ?
H27A_11 C27_11 H27B_11 109.5 . . ?
C25_11 C27_11 H27C_11 109.5 . . ?
H27A_11 C27_11 H27C_11 109.5 . . ?
H27B_11 C27_11 H27C_11 109.5 . . ?
C25_11 C28_11 H28A_11 109.5 . . ?
C25_11 C28_11 H28B_11 109.5 . . ?
H28A_11 C28_11 H28B_11 109.5 . . ?
C25_11 C28_11 H28C_11 109.5 . . ?
H28A_11 C28_11 H28C_11 109.5 . . ?
H28B_11 C28_11 H28C_11 109.5 . . ?
N22_11 C29_11 C30_11 112.31(12) . . ?
N22_11 C29_11 C31_11 110.82(12) . . ?
C30_11 C29_11 C31_11 114.47(14) . . ?
N22_11 C29_11 H29_11 106.2 . . ?
C30_11 C29_11 H29_11 106.2 . . ?
C31_11 C29_11 H29_11 106.2 . . ?
C29_11 C30_11 H30A_11 109.5 . . ?
C29_11 C30_11 H30B_11 109.5 . . ?
H30A_11 C30_11 H30B_11 109.5 . . ?
C29_11 C30_11 H30C_11 109.5 . . ?
H30A_11 C30_11 H30C_11 109.5 . . ?
H30B_11 C30_11 H30C_11 109.5 . . ?
C34_11 C31_11 C33_11 108.68(16) . . ?
C34_11 C31_11 C32_11 110.4(2) . . ?
C33_11 C31_11 C32_11 107.34(17) . . ?
C34_11 C31_11 C29_11 111.91(14) . . ?
C33_11 C31_11 C29_11 109.59(15) . . ?
C32_11 C31_11 C29_11 108.79(14) . . ?
C31_11 C32_11 H32A_11 109.5 . . ?
C31_11 C32_11 H32B_11 109.5 . . ?
H32A_11 C32_11 H32B_11 109.5 . . ?
C31_11 C32_11 H32C_11 109.5 . . ?
H32A_11 C32_11 H32C_11 109.5 . . ?
H32B_11 C32_11 H32C_11 109.5 . . ?
C31_11 C33_11 H33A_11 109.5 . . ?
C31_11 C33_11 H33B_11 109.5 . . ?
H33A_11 C33_11 H33B_11 109.5 . . ?
C31_11 C33_11 H33C_11 109.5 . . ?
H33A_11 C33_11 H33C_11 109.5 . . ?
H33B_11 C33_11 H33C_11 109.5 . . ?
C31_11 C34_11 H34A_11 109.5 . . ?
C31_11 C34_11 H34B_11 109.5 . . ?
H34A_11 C34_11 H34B_11 109.5 . . ?
C31_11 C34_11 H34C_11 109.5 . . ?
H34A_11 C34_11 H34C_11 109.5 . . ?
H34B_11 C34_11 H34C_11 109.5 . . ?
O24_12 Ni12_12 O23_12 176.67(5) . . ?
O24_12 Ni12_12 N23_12 88.55(5) . . ?
O23_12 Ni12_12 N23_12 90.93(5) . . ?
O24_12 Ni12_12 N24_12 91.03(5) . . ?
O23_12 Ni12_12 N24_12 89.27(5) . . ?
N23_12 Ni12_12 N24_12 176.26(5) . . ?
C1_12 O23_12 Ni12_12 120.54(9) . . ?
C12_12 O24_12 Ni12_12 120.96(9) . . ?
C11_12 N23_12 C23_12 119.36(12) . . ?
C11_12 N23_12 Ni12_12 120.18(10) . . ?
C23_12 N23_12 Ni12_12 120.44(9) . . ?
C22_12 N24_12 C29_12 119.82(12) . . ?
C22_12 N24_12 Ni12_12 121.09(10) . . ?
C29_12 N24_12 Ni12_12 119.08(9) . . ?
O23_12 C1_12 C10_12 123.92(12) . . ?
O23_12 C1_12 C2_12 117.37(14) . . ?
C10_12 C1_12 C2_12 118.71(13) . . ?
C3_12 C2_12 C1_12 121.18(15) . . ?
C3_12 C2_12 H2_12 119.4 . . ?
C1_12 C2_12 H2_12 119.4 . . ?
C2_12 C3_12 C4_12 121.18(14) . . ?
C2_12 C3_12 H3_12 119.4 . . ?
C4_12 C3_12 H3_12 119.4 . . ?
C9_12 C4_12 C5_12 120.01(16) . . ?
C9_12 C4_12 C3_12 119.13(13) . . ?
C5_12 C4_12 C3_12 120.85(14) . . ?
C6_12 C5_12 C4_12 120.85(15) . . ?
C6_12 C5_12 H5_12 119.6 . . ?
C4_12 C5_12 H5_12 119.6 . . ?
C5_12 C6_12 C7_12 119.35(15) . . ?
C5_12 C6_12 H6_12 120.3 . . ?
C7_12 C6_12 H6_12 120.3 . . ?
C8_12 C7_12 C6_12 120.57(17) . . ?
C8_12 C7_12 H7_12 119.7 . . ?
C6_12 C7_12 H7_12 119.7 . . ?
C7_12 C8_12 C9_12 121.40(15) . . ?
C7_12 C8_12 H8_12 119.3 . . ?
C9_12 C8_12 H8_12 119.3 . . ?
C8_12 C9_12 C4_12 117.79(13) . . ?
C8_12 C9_12 C10_12 122.84(13) . . ?
C4_12 C9_12 C10_12 119.33(14) . . ?
C1_12 C10_12 C11_12 118.69(12) . . ?
C1_12 C10_12 C9_12 120.24(13) . . ?
C11_12 C10_12 C9_12 120.45(13) . . ?
N23_12 C11_12 C10_12 124.97(13) . . ?
N23_12 C11_12 H11_12 117.5 . . ?
C10_12 C11_12 H11_12 117.5 . . ?
O24_12 C12_12 C21_12 124.26(12) . . ?
O24_12 C12_12 C13_12 117.61(13) . . ?
C21_12 C12_12 C13_12 118.13(13) . . ?
C14_12 C13_12 C12_12 120.76(15) . . ?
C14_12 C13_12 H13_12 119.6 . . ?
C12_12 C13_12 H13_12 119.6 . . ?
C13_12 C14_12 C15_12 121.98(14) . . ?
C13_12 C14_12 H14_12 119.0 . . ?
C15_12 C14_12 H14_12 119.0 . . ?
C16_12 C15_12 C20_12 118.90(17) . . ?
C16_12 C15_12 C14_12 122.70(16) . . ?
C20_12 C15_12 C14_12 118.39(13) . . ?
C17_12 C16_12 C15_12 121.86(17) . . ?
C17_12 C16_12 H16_12 119.1 . . ?
C15_12 C16_12 H16_12 119.1 . . ?
C16_12 C17_12 C18_12 119.53(16) . . ?
C16_12 C17_12 H17_12 120.2 . . ?
C18_12 C17_12 H17_12 120.2 . . ?
C19_12 C18_12 C17_12 120.53(19) . . ?
C19_12 C18_12 H18_12 119.7 . . ?
C17_12 C18_12 H18_12 119.7 . . ?
C18_12 C19_12 C20_12 121.30(17) . . ?
C18_12 C19_12 H19_12 119.3 . . ?
C20_12 C19_12 H19_12 119.3 . . ?
C15_12 C20_12 C19_12 117.87(13) . . ?
C15_12 C20_12 C21_12 119.33(14) . . ?
C19_12 C20_12 C21_12 122.74(14) . . ?
C12_12 C21_12 C22_12 118.69(12) . . ?
C12_12 C21_12 C20_12 121.09(13) . . ?
C22_12 C21_12 C20_12 119.94(13) . . ?
N24_12 C22_12 C21_12 124.91(13) . . ?
N24_12 C22_12 H22_12 117.5 . . ?
C21_12 C22_12 H22_12 117.5 . . ?
N23_12 C23_12 C24_12 111.87(11) . . ?
N23_12 C23_12 C25_12 111.35(11) . . ?
C24_12 C23_12 C25_12 115.20(12) . . ?
N23_12 C23_12 H23_12 105.9 . . ?
C24_12 C23_12 H23_12 105.9 . . ?
C25_12 C23_12 H23_12 105.9 . . ?
C23_12 C24_12 H24A_12 109.5 . . ?
C23_12 C24_12 H24B_12 109.5 . . ?
H24A_12 C24_12 H24B_12 109.5 . . ?
C23_12 C24_12 H24C_12 109.5 . . ?
H24A_12 C24_12 H24C_12 109.5 . . ?
H24B_12 C24_12 H24C_12 109.5 . . ?
C27_12 C25_12 C26_12 108.41(12) . . ?
C27_12 C25_12 C28_12 109.11(13) . . ?
C26_12 C25_12 C28_12 108.58(13) . . ?
C27_12 C25_12 C23_12 113.99(12) . . ?
C26_12 C25_12 C23_12 108.33(12) . . ?
C28_12 C25_12 C23_12 108.30(12) . . ?
C25_12 C26_12 H26A_12 109.5 . . ?
C25_12 C26_12 H26B_12 109.5 . . ?
H26A_12 C26_12 H26B_12 109.5 . . ?
C25_12 C26_12 H26C_12 109.5 . . ?
H26A_12 C26_12 H26C_12 109.5 . . ?
H26B_12 C26_12 H26C_12 109.5 . . ?
C25_12 C27_12 H27A_12 109.5 . . ?
C25_12 C27_12 H27B_12 109.5 . . ?
H27A_12 C27_12 H27B_12 109.5 . . ?
C25_12 C27_12 H27C_12 109.5 . . ?
H27A_12 C27_12 H27C_12 109.5 . . ?
H27B_12 C27_12 H27C_12 109.5 . . ?
C25_12 C28_12 H28A_12 109.5 . . ?
C25_12 C28_12 H28B_12 109.5 . . ?
H28A_12 C28_12 H28B_12 109.5 . . ?
C25_12 C28_12 H28C_12 109.5 . . ?
H28A_12 C28_12 H28C_12 109.5 . . ?
H28B_12 C28_12 H28C_12 109.5 . . ?
N24_12 C29_12 C30_12 111.86(12) . . ?
N24_12 C29_12 C31_12 111.60(11) . . ?
C30_12 C29_12 C31_12 115.69(13) . . ?
N24_12 C29_12 H29_12 105.6 . . ?
C30_12 C29_12 H29_12 105.6 . . ?
C31_12 C29_12 H29_12 105.6 . . ?
C29_12 C30_12 H30A_12 109.5 . . ?
C29_12 C30_12 H30B_12 109.5 . . ?
H30A_12 C30_12 H30B_12 109.5 . . ?
C29_12 C30_12 H30C_12 109.5 . . ?
H30A_12 C30_12 H30C_12 109.5 . . ?
H30B_12 C30_12 H30C_12 109.5 . . ?
C34_12 C31_12 C33_12 110.42(14) . . ?
C34_12 C31_12 C32_12 107.76(16) . . ?
C33_12 C31_12 C32_12 107.63(15) . . ?
C34_12 C31_12 C29_12 110.12(13) . . ?
C33_12 C31_12 C29_12 112.61(15) . . ?
C32_12 C31_12 C29_12 108.13(13) . . ?
C31_12 C32_12 H32A_12 109.5 . . ?
C31_12 C32_12 H32B_12 109.5 . . ?
H32A_12 C32_12 H32B_12 109.5 . . ?
C31_12 C32_12 H32C_12 109.5 . . ?
H32A_12 C32_12 H32C_12 109.5 . . ?
H32B_12 C32_12 H32C_12 109.5 . . ?
C31_12 C33_12 H33A_12 109.5 . . ?
C31_12 C33_12 H33B_12 109.5 . . ?
H33A_12 C33_12 H33B_12 109.5 . . ?
C31_12 C33_12 H33C_12 109.5 . . ?
H33A_12 C33_12 H33C_12 109.5 . . ?
H33B_12 C33_12 H33C_12 109.5 . . ?
C31_12 C34_12 H34A_12 109.5 . . ?
C31_12 C34_12 H34B_12 109.5 . . ?
H34A_12 C34_12 H34B_12 109.5 . . ?
C31_12 C34_12 H34C_12 109.5 . . ?
H34A_12 C34_12 H34C_12 109.5 . . ?
H34B_12 C34_12 H34C_12 109.5 . . ?
O25_13 Ni13_13 O26_13 177.71(5) . . ?
O25_13 Ni13_13 N25_13 91.39(5) . . ?
O26_13 Ni13_13 N25_13 88.65(5) . . ?
O25_13 Ni13_13 N26_13 89.68(5) . . ?
O26_13 Ni13_13 N26_13 90.14(5) . . ?
N25_13 Ni13_13 N26_13 176.19(5) . . ?
C1_13 O25_13 Ni13_13 122.45(9) . . ?
C12_13 O26_13 Ni13_13 120.29(9) . . ?
C11_13 N25_13 C23_13 118.61(12) . . ?
C11_13 N25_13 Ni13_13 120.64(10) . . ?
C23_13 N25_13 Ni13_13 120.72(9) . . ?
C22_13 N26_13 C29_13 118.61(12) . . ?
C22_13 N26_13 Ni13_13 120.27(10) . . ?
C29_13 N26_13 Ni13_13 121.12(9) . . ?
O25_13 C1_13 C10_13 123.98(12) . . ?
O25_13 C1_13 C2_13 117.62(13) . . ?
C10_13 C1_13 C2_13 118.39(13) . . ?
C3_13 C2_13 C1_13 121.50(15) . . ?
C3_13 C2_13 H2_13 119.2 . . ?
C1_13 C2_13 H2_13 119.2 . . ?
C2_13 C3_13 C4_13 121.23(14) . . ?
C2_13 C3_13 H3_13 119.4 . . ?
C4_13 C3_13 H3_13 119.4 . . ?
C9_13 C4_13 C5_13 120.10(16) . . ?
C9_13 C4_13 C3_13 118.86(14) . . ?
C5_13 C4_13 C3_13 121.03(14) . . ?
C6_13 C5_13 C4_13 120.73(15) . . ?
C6_13 C5_13 H5_13 119.6 . . ?
C4_13 C5_13 H5_13 119.6 . . ?
C5_13 C6_13 C7_13 119.39(15) . . ?
C5_13 C6_13 H6_13 120.3 . . ?
C7_13 C6_13 H6_13 120.3 . . ?
C8_13 C7_13 C6_13 120.83(17) . . ?
C8_13 C7_13 H7_13 119.6 . . ?
C6_13 C7_13 H7_13 119.6 . . ?
C7_13 C8_13 C9_13 121.24(15) . . ?
C7_13 C8_13 H8_13 119.4 . . ?
C9_13 C8_13 H8_13 119.4 . . ?
C8_13 C9_13 C4_13 117.69(13) . . ?
C8_13 C9_13 C10_13 122.73(13) . . ?
C4_13 C9_13 C10_13 119.57(14) . . ?
C1_13 C10_13 C11_13 118.65(12) . . ?
C1_13 C10_13 C9_13 120.18(12) . . ?
C11_13 C10_13 C9_13 120.43(13) . . ?
N25_13 C11_13 C10_13 125.57(13) . . ?
N25_13 C11_13 H11_13 117.2 . . ?
C10_13 C11_13 H11_13 117.2 . . ?
O26_13 C12_13 C21_13 124.27(12) . . ?
O26_13 C12_13 C13_13 117.50(12) . . ?
C21_13 C12_13 C13_13 118.20(12) . . ?
C14_13 C13_13 C12_13 120.88(13) . . ?
C14_13 C13_13 H13_13 119.6 . . ?
C12_13 C13_13 H13_13 119.6 . . ?
C13_13 C14_13 C15_13 121.76(13) . . ?
C13_13 C14_13 H14_13 119.1 . . ?
C15_13 C14_13 H14_13 119.1 . . ?
C16_13 C15_13 C20_13 120.01(14) . . ?
C16_13 C15_13 C14_13 121.51(13) . . ?
C20_13 C15_13 C14_13 118.48(12) . . ?
C17_13 C16_13 C15_13 120.91(14) . . ?
C17_13 C16_13 H16_13 119.5 . . ?
C15_13 C16_13 H16_13 119.5 . . ?
C16_13 C17_13 C18_13 119.82(14) . . ?
C16_13 C17_13 H17_13 120.1 . . ?
C18_13 C17_13 H17_13 120.1 . . ?
C19_13 C18_13 C17_13 120.39(15) . . ?
C19_13 C18_13 H18_13 119.8 . . ?
C17_13 C18_13 H18_13 119.8 . . ?
C18_13 C19_13 C20_13 121.18(14) . . ?
C18_13 C19_13 H19_13 119.4 . . ?
C20_13 C19_13 H19_13 119.4 . . ?
C19_13 C20_13 C15_13 117.69(12) . . ?
C19_13 C20_13 C21_13 123.05(12) . . ?
C15_13 C20_13 C21_13 119.23(13) . . ?
C12_13 C21_13 C20_13 120.96(12) . . ?
C12_13 C21_13 C22_13 117.83(12) . . ?
C20_13 C21_13 C22_13 120.57(12) . . ?
N26_13 C22_13 C21_13 124.82(12) . . ?
N26_13 C22_13 H22_13 117.6 . . ?
C21_13 C22_13 H22_13 117.6 . . ?
N25_13 C23_13 C24_13 111.78(11) . . ?
N25_13 C23_13 C25_13 111.61(11) . . ?
C24_13 C23_13 C25_13 114.82(12) . . ?
N25_13 C23_13 H23_13 106.0 . . ?
C24_13 C23_13 H23_13 106.0 . . ?
C25_13 C23_13 H23_13 106.0 . . ?
C23_13 C24_13 H24A_13 109.5 . . ?
C23_13 C24_13 H24B_13 109.5 . . ?
H24A_13 C24_13 H24B_13 109.5 . . ?
C23_13 C24_13 H24C_13 109.5 . . ?
H24A_13 C24_13 H24C_13 109.5 . . ?
H24B_13 C24_13 H24C_13 109.5 . . ?
C26_13 C25_13 C27_13 108.37(13) . . ?
C26_13 C25_13 C28_13 109.01(14) . . ?
C27_13 C25_13 C28_13 108.26(13) . . ?
C26_13 C25_13 C23_13 114.33(12) . . ?
C27_13 C25_13 C23_13 108.15(12) . . ?
C28_13 C25_13 C23_13 108.56(13) . . ?
C25_13 C26_13 H26A_13 109.5 . . ?
C25_13 C26_13 H26B_13 109.5 . . ?
H26A_13 C26_13 H26B_13 109.5 . . ?
C25_13 C26_13 H26C_13 109.5 . . ?
H26A_13 C26_13 H26C_13 109.5 . . ?
H26B_13 C26_13 H26C_13 109.5 . . ?
C25_13 C27_13 H27A_13 109.5 . . ?
C25_13 C27_13 H27B_13 109.5 . . ?
H27A_13 C27_13 H27B_13 109.5 . . ?
C25_13 C27_13 H27C_13 109.5 . . ?
H27A_13 C27_13 H27C_13 109.5 . . ?
H27B_13 C27_13 H27C_13 109.5 . . ?
C25_13 C28_13 H28A_13 109.5 . . ?
C25_13 C28_13 H28B_13 109.5 . . ?
H28A_13 C28_13 H28B_13 109.5 . . ?
C25_13 C28_13 H28C_13 109.5 . . ?
H28A_13 C28_13 H28C_13 109.5 . . ?
H28B_13 C28_13 H28C_13 109.5 . . ?
N26_13 C29_13 C30_13 112.88(12) . . ?
N26_13 C29_13 C31_13 109.71(13) . . ?
C30_13 C29_13 C31_13 114.09(15) . . ?
N26_13 C29_13 H29_13 106.5 . . ?
C30_13 C29_13 H29_13 106.5 . . ?
C31_13 C29_13 H29_13 106.5 . . ?
C29_13 C30_13 H30A_13 109.5 . . ?
C29_13 C30_13 H30B_13 109.5 . . ?
H30A_13 C30_13 H30B_13 109.5 . . ?
C29_13 C30_13 H30C_13 109.5 . . ?
H30A_13 C30_13 H30C_13 109.5 . . ?
H30B_13 C30_13 H30C_13 109.5 . . ?
C33_13 C31_13 C34_13 108.94(16) . . ?
C33_13 C31_13 C32_13 107.93(16) . . ?
C34_13 C31_13 C32_13 108.52(19) . . ?
C33_13 C31_13 C29_13 109.46(17) . . ?
C34_13 C31_13 C29_13 112.25(15) . . ?
C32_13 C31_13 C29_13 109.64(14) . . ?
C31_13 C32_13 H32A_13 109.5 . . ?
C31_13 C32_13 H32B_13 109.5 . . ?
H32A_13 C32_13 H32B_13 109.5 . . ?
C31_13 C32_13 H32C_13 109.5 . . ?
H32A_13 C32_13 H32C_13 109.5 . . ?
H32B_13 C32_13 H32C_13 109.5 . . ?
C31_13 C33_13 H33A_13 109.5 . . ?
C31_13 C33_13 H33B_13 109.5 . . ?
H33A_13 C33_13 H33B_13 109.5 . . ?
C31_13 C33_13 H33C_13 109.5 . . ?
H33A_13 C33_13 H33C_13 109.5 . . ?
H33B_13 C33_13 H33C_13 109.5 . . ?
C31_13 C34_13 H34A_13 109.5 . . ?
C31_13 C34_13 H34B_13 109.5 . . ?
H34A_13 C34_13 H34B_13 109.5 . . ?
C31_13 C34_13 H34C_13 109.5 . . ?
H34A_13 C34_13 H34C_13 109.5 . . ?
H34B_13 C34_13 H34C_13 109.5 . . ?
O27_14 Ni14_14 O28_14 178.97(5) . . ?
O27_14 Ni14_14 N27_14 91.73(5) . . ?
O28_14 Ni14_14 N27_14 89.30(5) . . ?
O27_14 Ni14_14 N28_14 89.71(5) . . ?
O28_14 Ni14_14 N28_14 89.26(5) . . ?
N27_14 Ni14_14 N28_14 172.66(5) . . ?
C12_14 O27_14 Ni14_14 122.81(10) . . ?
C1_14 O28_14 Ni14_14 117.32(9) . . ?
C22_14 N27_14 C29_14 118.84(12) . . ?
C22_14 N27_14 Ni14_14 120.09(10) . . ?
C29_14 N27_14 Ni14_14 120.91(9) . . ?
C11_14 N28_14 C23_14 119.32(12) . . ?
C11_14 N28_14 Ni14_14 118.89(10) . . ?
C23_14 N28_14 Ni14_14 121.79(9) . . ?
O28_14 C1_14 C10_14 123.30(12) . . ?
O28_14 C1_14 C2_14 117.92(13) . . ?
C10_14 C1_14 C2_14 118.75(12) . . ?
C3_14 C2_14 C1_14 120.67(14) . . ?
C3_14 C2_14 H2_14 119.7 . . ?
C1_14 C2_14 H2_14 119.7 . . ?
C2_14 C3_14 C4_14 121.45(13) . . ?
C2_14 C3_14 H3_14 119.3 . . ?
C4_14 C3_14 H3_14 119.3 . . ?
C5_14 C4_14 C9_14 119.63(13) . . ?
C5_14 C4_14 C3_14 121.45(13) . . ?
C9_14 C4_14 C3_14 118.89(12) . . ?
C6_14 C5_14 C4_14 120.89(14) . . ?
C6_14 C5_14 H5_14 119.6 . . ?
C4_14 C5_14 H5_14 119.6 . . ?
C5_14 C6_14 C7_14 119.98(13) . . ?
C5_14 C6_14 H6_14 120.0 . . ?
C7_14 C6_14 H6_14 120.0 . . ?
C8_14 C7_14 C6_14 120.40(15) . . ?
C8_14 C7_14 H7_14 119.8 . . ?
C6_14 C7_14 H7_14 119.8 . . ?
C7_14 C8_14 C9_14 121.10(13) . . ?
C7_14 C8_14 H8_14 119.5 . . ?
C9_14 C8_14 H8_14 119.5 . . ?
C8_14 C9_14 C4_14 117.98(12) . . ?
C8_14 C9_14 C10_14 122.82(12) . . ?
C4_14 C9_14 C10_14 119.08(13) . . ?
C1_14 C10_14 C9_14 120.54(12) . . ?
C1_14 C10_14 C11_14 118.09(12) . . ?
C9_14 C10_14 C11_14 121.09(12) . . ?
N28_14 C11_14 C10_14 124.41(13) . . ?
N28_14 C11_14 H11_14 117.8 . . ?
C10_14 C11_14 H11_14 117.8 . . ?
O27_14 C12_14 C21_14 123.78(13) . . ?
O27_14 C12_14 C13_14 117.46(14) . . ?
C21_14 C12_14 C13_14 118.75(14) . . ?
C14_14 C13_14 C12_14 121.09(16) . . ?
C14_14 C13_14 H13_14 119.5 . . ?
C12_14 C13_14 H13_14 119.5 . . ?
C13_14 C14_14 C15_14 121.16(14) . . ?
C13_14 C14_14 H14_14 119.4 . . ?
C15_14 C14_14 H14_14 119.4 . . ?
C20_14 C15_14 C16_14 120.07(17) . . ?
C20_14 C15_14 C14_14 119.24(14) . . ?
C16_14 C15_14 C14_14 120.67(15) . . ?
C17_14 C16_14 C15_14 120.92(16) . . ?
C17_14 C16_14 H16_14 119.5 . . ?
C15_14 C16_14 H16_14 119.5 . . ?
C16_14 C17_14 C18_14 119.45(16) . . ?
C16_14 C17_14 H17_14 120.3 . . ?
C18_14 C17_14 H17_14 120.3 . . ?
C19_14 C18_14 C17_14 120.54(19) . . ?
C19_14 C18_14 H18_14 119.7 . . ?
C17_14 C18_14 H18_14 119.7 . . ?
C18_14 C19_14 C20_14 121.06(16) . . ?
C18_14 C19_14 H19_14 119.5 . . ?
C20_14 C19_14 H19_14 119.5 . . ?
C15_14 C20_14 C19_14 117.91(14) . . ?
C15_14 C20_14 C21_14 119.42(15) . . ?
C19_14 C20_14 C21_14 122.64(13) . . ?
C12_14 C21_14 C22_14 118.86(13) . . ?
C12_14 C21_14 C20_14 119.93(13) . . ?
C22_14 C21_14 C20_14 120.58(14) . . ?
N27_14 C22_14 C21_14 125.95(14) . . ?
N27_14 C22_14 H22_14 117.0 . . ?
C21_14 C22_14 H22_14 117.0 . . ?
N28_14 C23_14 C24_14 113.29(14) . . ?
N28_14 C23_14 C25_14 109.48(14) . . ?
C24_14 C23_14 C25_14 114.04(17) . . ?
N28_14 C23_14 H23_14 106.5 . . ?
C24_14 C23_14 H23_14 106.5 . . ?
C25_14 C23_14 H23_14 106.5 . . ?
C23_14 C24_14 H24A_14 109.5 . . ?
C23_14 C24_14 H24B_14 109.5 . . ?
H24A_14 C24_14 H24B_14 109.5 . . ?
C23_14 C24_14 H24C_14 109.5 . . ?
H24A_14 C24_14 H24C_14 109.5 . . ?
H24B_14 C24_14 H24C_14 109.5 . . ?
C27_14 C25_14 C28_14 108.73(19) . . ?
C27_14 C25_14 C26_14 108.8(2) . . ?
C28_14 C25_14 C26_14 108.99(16) . . ?
C27_14 C25_14 C23_14 110.06(15) . . ?
C28_14 C25_14 C23_14 109.12(19) . . ?
C26_14 C25_14 C23_14 111.09(16) . . ?
C25_14 C26_14 H26A_14 109.5 . . ?
C25_14 C26_14 H26B_14 109.5 . . ?
H26A_14 C26_14 H26B_14 109.5 . . ?
C25_14 C26_14 H26C_14 109.5 . . ?
H26A_14 C26_14 H26C_14 109.5 . . ?
H26B_14 C26_14 H26C_14 109.5 . . ?
C25_14 C27_14 H27A_14 109.5 . . ?
C25_14 C27_14 H27B_14 109.5 . . ?
H27A_14 C27_14 H27B_14 109.5 . . ?
C25_14 C27_14 H27C_14 109.5 . . ?
H27A_14 C27_14 H27C_14 109.5 . . ?
H27B_14 C27_14 H27C_14 109.5 . . ?
C25_14 C28_14 H28A_14 109.5 . . ?
C25_14 C28_14 H28B_14 109.5 . . ?
H28A_14 C28_14 H28B_14 109.5 . . ?
C25_14 C28_14 H28C_14 109.5 . . ?
H28A_14 C28_14 H28C_14 109.5 . . ?
H28B_14 C28_14 H28C_14 109.5 . . ?
N27_14 C29_14 C30_14 111.71(11) . . ?
N27_14 C29_14 C31_14 111.39(11) . . ?
C30_14 C29_14 C31_14 115.38(12) . . ?
N27_14 C29_14 H29_14 105.9 . . ?
C30_14 C29_14 H29_14 105.9 . . ?
C31_14 C29_14 H29_14 105.9 . . ?
C29_14 C30_14 H30A_14 109.5 . . ?
C29_14 C30_14 H30B_14 109.5 . . ?
H30A_14 C30_14 H30B_14 109.5 . . ?
C29_14 C30_14 H30C_14 109.5 . . ?
H30A_14 C30_14 H30C_14 109.5 . . ?
H30B_14 C30_14 H30C_14 109.5 . . ?
C33_14 C31_14 C34_14 109.27(14) . . ?
C33_14 C31_14 C32_14 108.31(13) . . ?
C34_14 C31_14 C32_14 108.73(13) . . ?
C33_14 C31_14 C29_14 114.40(12) . . ?
C34_14 C31_14 C29_14 108.26(12) . . ?
C32_14 C31_14 C29_14 107.74(12) . . ?
C31_14 C32_14 H32A_14 109.5 . . ?
C31_14 C32_14 H32B_14 109.5 . . ?
H32A_14 C32_14 H32B_14 109.5 . . ?
C31_14 C32_14 H32C_14 109.5 . . ?
H32A_14 C32_14 H32C_14 109.5 . . ?
H32B_14 C32_14 H32C_14 109.5 . . ?
C31_14 C33_14 H33A_14 109.5 . . ?
C31_14 C33_14 H33B_14 109.5 . . ?
H33A_14 C33_14 H33B_14 109.5 . . ?
C31_14 C33_14 H33C_14 109.5 . . ?
H33A_14 C33_14 H33C_14 109.5 . . ?
H33B_14 C33_14 H33C_14 109.5 . . ?
C31_14 C34_14 H34A_14 109.5 . . ?
C31_14 C34_14 H34B_14 109.5 . . ?
H34A_14 C34_14 H34B_14 109.5 . . ?
C31_14 C34_14 H34C_14 109.5 . . ?
H34A_14 C34_14 H34C_14 109.5 . . ?
H34B_14 C34_14 H34C_14 109.5 . . ?
O29_15 Ni15_15 O30_15 179.46(5) . . ?
O29_15 Ni15_15 N29_15 90.95(5) . . ?
O30_15 Ni15_15 N29_15 88.95(5) . . ?
O29_15 Ni15_15 N30_15 89.51(5) . . ?
O30_15 Ni15_15 N30_15 90.53(5) . . ?
N29_15 Ni15_15 N30_15 173.52(5) . . ?
C12_15 O29_15 Ni15_15 121.94(9) . . ?
C1_15 O30_15 Ni15_15 119.97(9) . . ?
C22_15 N29_15 C29_15 119.08(12) . . ?
C22_15 N29_15 Ni15_15 119.98(10) . . ?
C29_15 N29_15 Ni15_15 120.89(9) . . ?
C11_15 N30_15 C23_15 118.75(11) . . ?
C11_15 N30_15 Ni15_15 119.89(10) . . ?
C23_15 N30_15 Ni15_15 121.32(8) . . ?
O30_15 C1_15 C10_15 123.88(12) . . ?
O30_15 C1_15 C2_15 117.49(12) . . ?
C10_15 C1_15 C2_15 118.62(12) . . ?
C3_15 C2_15 C1_15 120.92(13) . . ?
C3_15 C2_15 H2_15 119.5 . . ?
C1_15 C2_15 H2_15 119.5 . . ?
C2_15 C3_15 C4_15 121.63(12) . . ?
C2_15 C3_15 H3_15 119.2 . . ?
C4_15 C3_15 H3_15 119.2 . . ?
C5_15 C4_15 C9_15 120.33(14) . . ?
C5_15 C4_15 C3_15 121.01(13) . . ?
C9_15 C4_15 C3_15 118.59(12) . . ?
C6_15 C5_15 C4_15 120.81(14) . . ?
C6_15 C5_15 H5_15 119.6 . . ?
C4_15 C5_15 H5_15 119.6 . . ?
C5_15 C6_15 C7_15 119.61(14) . . ?
C5_15 C6_15 H6_15 120.2 . . ?
C7_15 C6_15 H6_15 120.2 . . ?
C8_15 C7_15 C6_15 120.56(14) . . ?
C8_15 C7_15 H7_15 119.7 . . ?
C6_15 C7_15 H7_15 119.7 . . ?
C7_15 C8_15 C9_15 121.46(13) . . ?
C7_15 C8_15 H8_15 119.3 . . ?
C9_15 C8_15 H8_15 119.3 . . ?
C8_15 C9_15 C4_15 117.21(12) . . ?
C8_15 C9_15 C10_15 123.34(12) . . ?
C4_15 C9_15 C10_15 119.29(12) . . ?
C1_15 C10_15 C9_15 120.48(12) . . ?
C1_15 C10_15 C11_15 118.48(11) . . ?
C9_15 C10_15 C11_15 120.87(12) . . ?
N30_15 C11_15 C10_15 125.10(12) . . ?
N30_15 C11_15 H11_15 117.5 . . ?
C10_15 C11_15 H11_15 117.5 . . ?
O29_15 C12_15 C21_15 123.66(12) . . ?
O29_15 C12_15 C13_15 117.57(13) . . ?
C21_15 C12_15 C13_15 118.75(13) . . ?
C14_15 C13_15 C12_15 121.19(15) . . ?
C14_15 C13_15 H13_15 119.4 . . ?
C12_15 C13_15 H13_15 119.4 . . ?
C13_15 C14_15 C15_15 121.23(14) . . ?
C13_15 C14_15 H14_15 119.4 . . ?
C15_15 C14_15 H14_15 119.4 . . ?
C20_15 C15_15 C16_15 120.09(16) . . ?
C20_15 C15_15 C14_15 118.97(13) . . ?
C16_15 C15_15 C14_15 120.93(14) . . ?
C17_15 C16_15 C15_15 120.88(15) . . ?
C17_15 C16_15 H16_15 119.6 . . ?
C15_15 C16_15 H16_15 119.6 . . ?
C16_15 C17_15 C18_15 119.28(15) . . ?
C16_15 C17_15 H17_15 120.4 . . ?
C18_15 C17_15 H17_15 120.4 . . ?
C19_15 C18_15 C17_15 120.69(17) . . ?
C19_15 C18_15 H18_15 119.7 . . ?
C17_15 C18_15 H18_15 119.7 . . ?
C18_15 C19_15 C20_15 121.12(15) . . ?
C18_15 C19_15 H19_15 119.4 . . ?
C20_15 C19_15 H19_15 119.4 . . ?
C15_15 C20_15 C19_15 117.90(13) . . ?
C15_15 C20_15 C21_15 119.51(14) . . ?
C19_15 C20_15 C21_15 122.55(13) . . ?
C12_15 C21_15 C22_15 118.63(12) . . ?
C12_15 C21_15 C20_15 119.98(12) . . ?
C22_15 C21_15 C20_15 120.61(13) . . ?
N29_15 C22_15 C21_15 125.50(13) . . ?
N29_15 C22_15 H22_15 117.2 . . ?
C21_15 C22_15 H22_15 117.2 . . ?
N30_15 C23_15 C24_15 112.74(11) . . ?
N30_15 C23_15 C25_15 110.50(11) . . ?
C24_15 C23_15 C25_15 114.43(12) . . ?
N30_15 C23_15 H23_15 106.2 . . ?
C24_15 C23_15 H23_15 106.2 . . ?
C25_15 C23_15 H23_15 106.2 . . ?
C23_15 C24_15 H24A_15 109.5 . . ?
C23_15 C24_15 H24B_15 109.5 . . ?
H24A_15 C24_15 H24B_15 109.5 . . ?
C23_15 C24_15 H24C_15 109.5 . . ?
H24A_15 C24_15 H24C_15 109.5 . . ?
H24B_15 C24_15 H24C_15 109.5 . . ?
C26_15 C25_15 C28_15 107.59(14) . . ?
C26_15 C25_15 C27_15 110.13(17) . . ?
C28_15 C25_15 C27_15 108.49(16) . . ?
C26_15 C25_15 C23_15 112.24(13) . . ?
C28_15 C25_15 C23_15 109.29(13) . . ?
C27_15 C25_15 C23_15 109.03(13) . . ?
C25_15 C26_15 H26A_15 109.5 . . ?
C25_15 C26_15 H26B_15 109.5 . . ?
H26A_15 C26_15 H26B_15 109.5 . . ?
C25_15 C26_15 H26C_15 109.5 . . ?
H26A_15 C26_15 H26C_15 109.5 . . ?
H26B_15 C26_15 H26C_15 109.5 . . ?
C25_15 C27_15 H27A_15 109.5 . . ?
C25_15 C27_15 H27B_15 109.5 . . ?
H27A_15 C27_15 H27B_15 109.5 . . ?
C25_15 C27_15 H27C_15 109.5 . . ?
H27A_15 C27_15 H27C_15 109.5 . . ?
H27B_15 C27_15 H27C_15 109.5 . . ?
C25_15 C28_15 H28A_15 109.5 . . ?
C25_15 C28_15 H28B_15 109.5 . . ?
H28A_15 C28_15 H28B_15 109.5 . . ?
C25_15 C28_15 H28C_15 109.5 . . ?
H28A_15 C28_15 H28C_15 109.5 . . ?
H28B_15 C28_15 H28C_15 109.5 . . ?
N29_15 C29_15 C30_15 112.10(11) . . ?
N29_15 C29_15 C31_15 110.88(11) . . ?
C30_15 C29_15 C31_15 115.15(13) . . ?
N29_15 C29_15 H29_15 106.0 . . ?
C30_15 C29_15 H29_15 106.0 . . ?
C31_15 C29_15 H29_15 106.0 . . ?
C29_15 C30_15 H30A_15 109.5 . . ?
C29_15 C30_15 H30B_15 109.5 . . ?
H30A_15 C30_15 H30B_15 109.5 . . ?
C29_15 C30_15 H30C_15 109.5 . . ?
H30A_15 C30_15 H30C_15 109.5 . . ?
H30B_15 C30_15 H30C_15 109.5 . . ?
C33_15 C31_15 C34_15 109.50(16) . . ?
C33_15 C31_15 C32_15 108.54(13) . . ?
C34_15 C31_15 C32_15 107.94(14) . . ?
C33_15 C31_15 C29_15 113.87(13) . . ?
C34_15 C31_15 C29_15 108.59(13) . . ?
C32_15 C31_15 C29_15 108.23(12) . . ?
C31_15 C32_15 H32A_15 109.5 . . ?
C31_15 C32_15 H32B_15 109.5 . . ?
H32A_15 C32_15 H32B_15 109.5 . . ?
C31_15 C32_15 H32C_15 109.5 . . ?
H32A_15 C32_15 H32C_15 109.5 . . ?
H32B_15 C32_15 H32C_15 109.5 . . ?
C31_15 C33_15 H33A_15 109.5 . . ?
C31_15 C33_15 H33B_15 109.5 . . ?
H33A_15 C33_15 H33B_15 109.5 . . ?
C31_15 C33_15 H33C_15 109.5 . . ?
H33A_15 C33_15 H33C_15 109.5 . . ?
H33B_15 C33_15 H33C_15 109.5 . . ?
C31_15 C34_15 H34A_15 109.5 . . ?
C31_15 C34_15 H34B_15 109.5 . . ?
H34A_15 C34_15 H34B_15 109.5 . . ?
C31_15 C34_15 H34C_15 109.5 . . ?
H34A_15 C34_15 H34C_15 109.5 . . ?
H34B_15 C34_15 H34C_15 109.5 . . ?
O32_16 Ni16_16 O31_16 176.61(5) . . ?
O32_16 Ni16_16 N31_16 88.49(5) . . ?
O31_16 Ni16_16 N31_16 90.70(5) . . ?
O32_16 Ni16_16 N32_16 90.99(5) . . ?
O31_16 Ni16_16 N32_16 89.63(5) . . ?
N31_16 Ni16_16 N32_16 176.76(5) . . ?
C12_16 O31_16 Ni16_16 120.93(9) . . ?
C1_16 O32_16 Ni16_16 121.51(9) . . ?
C22_16 N31_16 C29_16 119.40(11) . . ?
C22_16 N31_16 Ni16_16 120.49(9) . . ?
C29_16 N31_16 Ni16_16 120.10(8) . . ?
C11_16 N32_16 C23_16 119.55(12) . . ?
C11_16 N32_16 Ni16_16 121.40(10) . . ?
C23_16 N32_16 Ni16_16 119.04(9) . . ?
O32_16 C1_16 C10_16 124.26(12) . . ?
O32_16 C1_16 C2_16 117.06(12) . . ?
C10_16 C1_16 C2_16 118.67(12) . . ?
C3_16 C2_16 C1_16 120.80(14) . . ?
C3_16 C2_16 H2_16 119.6 . . ?
C1_16 C2_16 H2_16 119.6 . . ?
C2_16 C3_16 C4_16 121.62(13) . . ?
C2_16 C3_16 H3_16 119.2 . . ?
C4_16 C3_16 H3_16 119.2 . . ?
C5_16 C4_16 C9_16 119.89(16) . . ?
C5_16 C4_16 C3_16 121.35(15) . . ?
C9_16 C4_16 C3_16 118.75(13) . . ?
C6_16 C5_16 C4_16 121.21(16) . . ?
C6_16 C5_16 H5_16 119.4 . . ?
C4_16 C5_16 H5_16 119.4 . . ?
C5_16 C6_16 C7_16 119.35(15) . . ?
C5_16 C6_16 H6_16 120.3 . . ?
C7_16 C6_16 H6_16 120.3 . . ?
C8_16 C7_16 C6_16 120.61(18) . . ?
C8_16 C7_16 H7_16 119.7 . . ?
C6_16 C7_16 H7_16 119.7 . . ?
C7_16 C8_16 C9_16 121.39(16) . . ?
C7_16 C8_16 H8_16 119.3 . . ?
C9_16 C8_16 H8_16 119.3 . . ?
C8_16 C9_16 C4_16 117.54(13) . . ?
C8_16 C9_16 C10_16 123.13(13) . . ?
C4_16 C9_16 C10_16 119.27(13) . . ?
C1_16 C10_16 C9_16 120.59(12) . . ?
C1_16 C10_16 C11_16 118.50(12) . . ?
C9_16 C10_16 C11_16 120.65(13) . . ?
N32_16 C11_16 C10_16 125.15(13) . . ?
N32_16 C11_16 H11_16 117.4 . . ?
C10_16 C11_16 H11_16 117.4 . . ?
O31_16 C12_16 C21_16 123.83(12) . . ?
O31_16 C12_16 C13_16 117.57(13) . . ?
C21_16 C12_16 C13_16 118.59(13) . . ?
C14_16 C13_16 C12_16 121.33(14) . . ?
C14_16 C13_16 H13_16 119.3 . . ?
C12_16 C13_16 H13_16 119.3 . . ?
C13_16 C14_16 C15_16 121.19(13) . . ?
C13_16 C14_16 H14_16 119.4 . . ?
C15_16 C14_16 H14_16 119.4 . . ?
C20_16 C15_16 C16_16 120.01(15) . . ?
C20_16 C15_16 C14_16 118.96(13) . . ?
C16_16 C15_16 C14_16 121.00(14) . . ?
C17_16 C16_16 C15_16 120.64(15) . . ?
C17_16 C16_16 H16_16 119.7 . . ?
C15_16 C16_16 H16_16 119.7 . . ?
C16_16 C17_16 C18_16 119.60(14) . . ?
C16_16 C17_16 H17_16 120.2 . . ?
C18_16 C17_16 H17_16 120.2 . . ?
C19_16 C18_16 C17_16 120.69(16) . . ?
C19_16 C18_16 H18_16 119.7 . . ?
C17_16 C18_16 H18_16 119.7 . . ?
C18_16 C19_16 C20_16 121.10(14) . . ?
C18_16 C19_16 H19_16 119.4 . . ?
C20_16 C19_16 H19_16 119.4 . . ?
C15_16 C20_16 C19_16 117.93(13) . . ?
C15_16 C20_16 C21_16 119.48(13) . . ?
C19_16 C20_16 C21_16 122.54(12) . . ?
C12_16 C21_16 C22_16 118.58(12) . . ?
C12_16 C21_16 C20_16 120.17(12) . . ?
C22_16 C21_16 C20_16 120.61(12) . . ?
N31_16 C22_16 C21_16 124.78(12) . . ?
N31_16 C22_16 H22_16 117.6 . . ?
C21_16 C22_16 H22_16 117.6 . . ?
N32_16 C23_16 C24_16 111.36(12) . . ?
N32_16 C23_16 C25_16 111.91(11) . . ?
C24_16 C23_16 C25_16 115.41(13) . . ?
N32_16 C23_16 H23_16 105.8 . . ?
C24_16 C23_16 H23_16 105.8 . . ?
C25_16 C23_16 H23_16 105.8 . . ?
C23_16 C24_16 H24A_16 109.5 . . ?
C23_16 C24_16 H24B_16 109.5 . . ?
H24A_16 C24_16 H24B_16 109.5 . . ?
C23_16 C24_16 H24C_16 109.5 . . ?
H24A_16 C24_16 H24C_16 109.5 . . ?
H24B_16 C24_16 H24C_16 109.5 . . ?
C26_16 C25_16 C28_16 108.01(14) . . ?
C26_16 C25_16 C27_16 109.82(13) . . ?
C28_16 C25_16 C27_16 108.10(16) . . ?
C26_16 C25_16 C23_16 113.43(14) . . ?
C28_16 C25_16 C23_16 107.96(12) . . ?
C27_16 C25_16 C23_16 109.37(12) . . ?
C25_16 C26_16 H26A_16 109.5 . . ?
C25_16 C26_16 H26B_16 109.5 . . ?
H26A_16 C26_16 H26B_16 109.5 . . ?
C25_16 C26_16 H26C_16 109.5 . . ?
H26A_16 C26_16 H26C_16 109.5 . . ?
H26B_16 C26_16 H26C_16 109.5 . . ?
C25_16 C27_16 H27A_16 109.5 . . ?
C25_16 C27_16 H27B_16 109.5 . . ?
H27A_16 C27_16 H27B_16 109.5 . . ?
C25_16 C27_16 H27C_16 109.5 . . ?
H27A_16 C27_16 H27C_16 109.5 . . ?
H27B_16 C27_16 H27C_16 109.5 . . ?
C25_16 C28_16 H28A_16 109.5 . . ?
C25_16 C28_16 H28B_16 109.5 . . ?
H28A_16 C28_16 H28B_16 109.5 . . ?
C25_16 C28_16 H28C_16 109.5 . . ?
H28A_16 C28_16 H28C_16 109.5 . . ?
H28B_16 C28_16 H28C_16 109.5 . . ?
N31_16 C29_16 C30_16 111.98(11) . . ?
N31_16 C29_16 C31_16 111.12(10) . . ?
C30_16 C29_16 C31_16 115.35(12) . . ?
N31_16 C29_16 H29_16 105.9 . . ?
C30_16 C29_16 H29_16 105.9 . . ?
C31_16 C29_16 H29_16 105.9 . . ?
C29_16 C30_16 H30A_16 109.5 . . ?
C29_16 C30_16 H30B_16 109.5 . . ?
H30A_16 C30_16 H30B_16 109.5 . . ?
C29_16 C30_16 H30C_16 109.5 . . ?
H30A_16 C30_16 H30C_16 109.5 . . ?
H30B_16 C30_16 H30C_16 109.5 . . ?
C34_16 C31_16 C33_16 108.57(12) . . ?
C34_16 C31_16 C32_16 109.07(13) . . ?
C33_16 C31_16 C32_16 108.69(13) . . ?
C34_16 C31_16 C29_16 113.97(12) . . ?
C33_16 C31_16 C29_16 108.23(12) . . ?
C32_16 C31_16 C29_16 108.19(12) . . ?
C31_16 C32_16 H32A_16 109.5 . . ?
C31_16 C32_16 H32B_16 109.5 . . ?
H32A_16 C32_16 H32B_16 109.5 . . ?
C31_16 C32_16 H32C_16 109.5 . . ?
H32A_16 C32_16 H32C_16 109.5 . . ?
H32B_16 C32_16 H32C_16 109.5 . . ?
C31_16 C33_16 H33A_16 109.5 . . ?
C31_16 C33_16 H33B_16 109.5 . . ?
H33A_16 C33_16 H33B_16 109.5 . . ?
C31_16 C33_16 H33C_16 109.5 . . ?
H33A_16 C33_16 H33C_16 109.5 . . ?
H33B_16 C33_16 H33C_16 109.5 . . ?
C31_16 C34_16 H34A_16 109.5 . . ?
C31_16 C34_16 H34B_16 109.5 . . ?
H34A_16 C34_16 H34B_16 109.5 . . ?
C31_16 C34_16 H34C_16 109.5 . . ?
H34A_16 C34_16 H34C_16 109.5 . . ?
H34B_16 C34_16 H34C_16 109.5 . . ?

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
N2_1 Ni1_1 O1_1 C1_1 134.52(11) . . . . ?
N1_1 Ni1_1 O1_1 C1_1 -43.50(11) . . . . ?
N2_1 Ni1_1 O2_1 C12_1 -44.97(11) . . . . ?
N1_1 Ni1_1 O2_1 C12_1 133.01(11) . . . . ?
O1_1 Ni1_1 N1_1 C11_1 35.63(11) . . . . ?
O2_1 Ni1_1 N1_1 C11_1 -139.78(11) . . . . ?
O1_1 Ni1_1 N1_1 C23_1 -144.67(10) . . . . ?
O2_1 Ni1_1 N1_1 C23_1 39.92(10) . . . . ?
O1_1 Ni1_1 N2_1 C22_1 -135.39(11) . . . . ?
O2_1 Ni1_1 N2_1 C22_1 40.05(11) . . . . ?
O1_1 Ni1_1 N2_1 C29_1 43.78(10) . . . . ?
O2_1 Ni1_1 N2_1 C29_1 -140.78(10) . . . . ?
Ni1_1 O1_1 C1_1 C10_1 27.25(18) . . . . ?
Ni1_1 O1_1 C1_1 C2_1 -153.80(10) . . . . ?
O1_1 C1_1 C2_1 C3_1 175.31(13) . . . . ?
C10_1 C1_1 C2_1 C3_1 -5.7(2) . . . . ?
C1_1 C2_1 C3_1 C4_1 1.5(2) . . . . ?
C2_1 C3_1 C4_1 C5_1 -176.37(15) . . . . ?
C2_1 C3_1 C4_1 C9_1 2.6(2) . . . . ?
C9_1 C4_1 C5_1 C6_1 0.7(2) . . . . ?
C3_1 C4_1 C5_1 C6_1 179.72(15) . . . . ?
C4_1 C5_1 C6_1 C7_1 -0.5(3) . . . . ?
C5_1 C6_1 C7_1 C8_1 -0.1(3) . . . . ?
C6_1 C7_1 C8_1 C9_1 0.4(3) . . . . ?
C7_1 C8_1 C9_1 C4_1 -0.2(2) . . . . ?
C7_1 C8_1 C9_1 C10_1 -177.12(15) . . . . ?
C5_1 C4_1 C9_1 C8_1 -0.4(2) . . . . ?
C3_1 C4_1 C9_1 C8_1 -179.41(14) . . . . ?
C5_1 C4_1 C9_1 C10_1 176.68(13) . . . . ?
C3_1 C4_1 C9_1 C10_1 -2.3(2) . . . . ?
O1_1 C1_1 C10_1 C9_1 -175.16(12) . . . . ?
C2_1 C1_1 C10_1 C9_1 5.90(19) . . . . ?
O1_1 C1_1 C10_1 C11_1 10.1(2) . . . . ?
C2_1 C1_1 C10_1 C11_1 -168.84(12) . . . . ?
C8_1 C9_1 C10_1 C1_1 174.95(14) . . . . ?
C4_1 C9_1 C10_1 C1_1 -1.96(19) . . . . ?
C8_1 C9_1 C10_1 C11_1 -10.4(2) . . . . ?
C4_1 C9_1 C10_1 C11_1 172.72(12) . . . . ?
C23_1 N1_1 C11_1 C10_1 168.91(12) . . . . ?
Ni1_1 N1_1 C11_1 C10_1 -11.39(19) . . . . ?
C1_1 C10_1 C11_1 N1_1 -18.5(2) . . . . ?
C9_1 C10_1 C11_1 N1_1 166.70(13) . . . . ?
Ni1_1 O2_1 C12_1 C21_1 24.85(18) . . . . ?
Ni1_1 O2_1 C12_1 C13_1 -156.11(10) . . . . ?
O2_1 C12_1 C13_1 C14_1 177.31(14) . . . . ?
C21_1 C12_1 C13_1 C14_1 -3.6(2) . . . . ?
C12_1 C13_1 C14_1 C15_1 -0.4(2) . . . . ?
C13_1 C14_1 C15_1 C20_1 1.9(2) . . . . ?
C13_1 C14_1 C15_1 C16_1 -176.36(15) . . . . ?
C20_1 C15_1 C16_1 C17_1 0.0(2) . . . . ?
C14_1 C15_1 C16_1 C17_1 178.28(15) . . . . ?
C15_1 C16_1 C17_1 C18_1 -0.8(2) . . . . ?
C16_1 C17_1 C18_1 C19_1 0.3(3) . . . . ?
C17_1 C18_1 C19_1 C20_1 1.0(2) . . . . ?
C16_1 C15_1 C20_1 C19_1 1.2(2) . . . . ?
C14_1 C15_1 C20_1 C19_1 -177.08(13) . . . . ?
C16_1 C15_1 C20_1 C21_1 178.85(13) . . . . ?
C14_1 C15_1 C20_1 C21_1 0.5(2) . . . . ?
C18_1 C19_1 C20_1 C15_1 -1.7(2) . . . . ?
C18_1 C19_1 C20_1 C21_1 -179.26(14) . . . . ?
O2_1 C12_1 C21_1 C22_1 14.0(2) . . . . ?
C13_1 C12_1 C21_1 C22_1 -165.07(13) . . . . ?
O2_1 C12_1 C21_1 C20_1 -174.95(12) . . . . ?
C13_1 C12_1 C21_1 C20_1 6.02(19) . . . . ?
C15_1 C20_1 C21_1 C12_1 -4.55(19) . . . . ?
C19_1 C20_1 C21_1 C12_1 172.95(13) . . . . ?
C15_1 C20_1 C21_1 C22_1 166.34(12) . . . . ?
C19_1 C20_1 C21_1 C22_1 -16.1(2) . . . . ?
C29_1 N2_1 C22_1 C21_1 165.54(12) . . . . ?
Ni1_1 N2_1 C22_1 C21_1 -15.29(18) . . . . ?
C12_1 C21_1 C22_1 N2_1 -19.0(2) . . . . ?
C20_1 C21_1 C22_1 N2_1 169.93(13) . . . . ?
C11_1 N1_1 C23_1 C24_1 54.55(16) . . . . ?
Ni1_1 N1_1 C23_1 C24_1 -125.16(11) . . . . ?
C11_1 N1_1 C23_1 C25_1 -75.57(16) . . . . ?
Ni1_1 N1_1 C23_1 C25_1 104.72(12) . . . . ?
N1_1 C23_1 C25_1 C27_1 80.41(15) . . . . ?
C24_1 C23_1 C25_1 C27_1 -48.13(16) . . . . ?
N1_1 C23_1 C25_1 C28_1 -159.58(14) . . . . ?
C24_1 C23_1 C25_1 C28_1 71.89(17) . . . . ?
N1_1 C23_1 C25_1 C26_1 -42.72(16) . . . . ?
C24_1 C23_1 C25_1 C26_1 -171.25(12) . . . . ?
C22_1 N2_1 C29_1 C30_1 53.18(16) . . . . ?
Ni1_1 N2_1 C29_1 C30_1 -126.00(10) . . . . ?
C22_1 N2_1 C29_1 C31_1 -77.03(15) . . . . ?
Ni1_1 N2_1 C29_1 C31_1 103.79(11) . . . . ?
N2_1 C29_1 C31_1 C33_1 62.37(15) . . . . ?
C30_1 C29_1 C31_1 C33_1 -66.22(16) . . . . ?
N2_1 C29_1 C31_1 C32_1 -176.94(11) . . . . ?
C30_1 C29_1 C31_1 C32_1 54.46(15) . . . . ?
N2_1 C29_1 C31_1 C34_1 -59.32(14) . . . . ?
C30_1 C29_1 C31_1 C34_1 172.09(12) . . . . ?
N4_2 Ni2_2 O3_2 C1_2 130.08(11) . . . . ?
N3_2 Ni2_2 O3_2 C1_2 -44.98(11) . . . . ?
N4_2 Ni2_2 O4_2 C12_2 -42.08(11) . . . . ?
N3_2 Ni2_2 O4_2 C12_2 132.96(11) . . . . ?
O3_2 Ni2_2 N3_2 C11_2 39.57(11) . . . . ?
O4_2 Ni2_2 N3_2 C11_2 -139.16(11) . . . . ?
O3_2 Ni2_2 N3_2 C23_2 -140.93(10) . . . . ?
O4_2 Ni2_2 N3_2 C23_2 40.34(10) . . . . ?
O3_2 Ni2_2 N4_2 C22_2 -139.59(11) . . . . ?
O4_2 Ni2_2 N4_2 C22_2 39.16(11) . . . . ?
O3_2 Ni2_2 N4_2 C29_2 38.31(10) . . . . ?
O4_2 Ni2_2 N4_2 C29_2 -142.95(10) . . . . ?
Ni2_2 O3_2 C1_2 C10_2 24.27(18) . . . . ?
Ni2_2 O3_2 C1_2 C2_2 -157.16(10) . . . . ?
O3_2 C1_2 C2_2 C3_2 176.17(13) . . . . ?
C10_2 C1_2 C2_2 C3_2 -5.2(2) . . . . ?
C1_2 C2_2 C3_2 C4_2 -0.7(2) . . . . ?
C2_2 C3_2 C4_2 C5_2 -175.27(14) . . . . ?
C2_2 C3_2 C4_2 C9_2 3.5(2) . . . . ?
C9_2 C4_2 C5_2 C6_2 -0.1(2) . . . . ?
C3_2 C4_2 C5_2 C6_2 178.65(15) . . . . ?
C4_2 C5_2 C6_2 C7_2 -0.8(2) . . . . ?
C5_2 C6_2 C7_2 C8_2 0.9(2) . . . . ?
C6_2 C7_2 C8_2 C9_2 0.1(2) . . . . ?
C7_2 C8_2 C9_2 C4_2 -1.0(2) . . . . ?
C7_2 C8_2 C9_2 C10_2 -178.20(13) . . . . ?
C5_2 C4_2 C9_2 C8_2 1.0(2) . . . . ?
C3_2 C4_2 C9_2 C8_2 -177.78(12) . . . . ?
C5_2 C4_2 C9_2 C10_2 178.32(13) . . . . ?
C3_2 C4_2 C9_2 C10_2 -0.49(19) . . . . ?
O3_2 C1_2 C10_2 C9_2 -173.28(12) . . . . ?
C2_2 C1_2 C10_2 C9_2 8.16(19) . . . . ?
O3_2 C1_2 C10_2 C11_2 15.42(19) . . . . ?
C2_2 C1_2 C10_2 C11_2 -163.14(12) . . . . ?
C8_2 C9_2 C10_2 C1_2 171.74(12) . . . . ?
C4_2 C9_2 C10_2 C1_2 -5.40(19) . . . . ?
C8_2 C9_2 C10_2 C11_2 -17.17(19) . . . . ?
C4_2 C9_2 C10_2 C11_2 165.69(12) . . . . ?
C23_2 N3_2 C11_2 C10_2 166.28(12) . . . . ?
Ni2_2 N3_2 C11_2 C10_2 -14.20(19) . . . . ?
C1_2 C10_2 C11_2 N3_2 -20.5(2) . . . . ?
C9_2 C10_2 C11_2 N3_2 168.16(13) . . . . ?
Ni2_2 O4_2 C12_2 C21_2 21.25(19) . . . . ?
Ni2_2 O4_2 C12_2 C13_2 -159.69(10) . . . . ?
O4_2 C12_2 C13_2 C14_2 177.24(14) . . . . ?
C21_2 C12_2 C13_2 C14_2 -3.6(2) . . . . ?
C12_2 C13_2 C14_2 C15_2 -0.6(2) . . . . ?
C13_2 C14_2 C15_2 C20_2 1.8(2) . . . . ?
C13_2 C14_2 C15_2 C16_2 -176.83(15) . . . . ?
C20_2 C15_2 C16_2 C17_2 -0.1(2) . . . . ?
C14_2 C15_2 C16_2 C17_2 178.50(16) . . . . ?
C15_2 C16_2 C17_2 C18_2 -1.1(3) . . . . ?
C16_2 C17_2 C18_2 C19_2 0.8(3) . . . . ?
C17_2 C18_2 C19_2 C20_2 0.6(2) . . . . ?
C16_2 C15_2 C20_2 C19_2 1.5(2) . . . . ?
C14_2 C15_2 C20_2 C19_2 -177.11(13) . . . . ?
C16_2 C15_2 C20_2 C21_2 179.85(13) . . . . ?
C14_2 C15_2 C20_2 C21_2 1.2(2) . . . . ?
C18_2 C19_2 C20_2 C15_2 -1.8(2) . . . . ?
C18_2 C19_2 C20_2 C21_2 179.95(14) . . . . ?
O4_2 C12_2 C21_2 C22_2 15.3(2) . . . . ?
C13_2 C12_2 C21_2 C22_2 -163.73(13) . . . . ?
O4_2 C12_2 C21_2 C20_2 -174.35(12) . . . . ?
C13_2 C12_2 C21_2 C20_2 6.6(2) . . . . ?
C15_2 C20_2 C21_2 C12_2 -5.44(19) . . . . ?
C19_2 C20_2 C21_2 C12_2 172.77(13) . . . . ?
C15_2 C20_2 C21_2 C22_2 164.69(13) . . . . ?
C19_2 C20_2 C21_2 C22_2 -17.1(2) . . . . ?
C29_2 N4_2 C22_2 C21_2 165.55(12) . . . . ?
Ni2_2 N4_2 C22_2 C21_2 -16.52(18) . . . . ?
C12_2 C21_2 C22_2 N4_2 -17.6(2) . . . . ?
C20_2 C21_2 C22_2 N4_2 172.16(13) . . . . ?
C11_2 N3_2 C23_2 C24_2 37.63(18) . . . . ?
Ni2_2 N3_2 C23_2 C24_2 -141.87(12) . . . . ?
C11_2 N3_2 C23_2 C25_2 -90.65(15) . . . . ?
Ni2_2 N3_2 C23_2 C25_2 89.84(12) . . . . ?
N3_2 C23_2 C25_2 C26_2 57.49(17) . . . . ?
C24_2 C23_2 C25_2 C26_2 -70.17(17) . . . . ?
N3_2 C23_2 C25_2 C28_2 178.22(12) . . . . ?
C24_2 C23_2 C25_2 C28_2 50.56(17) . . . . ?
N3_2 C23_2 C25_2 C27_2 -62.95(15) . . . . ?
C24_2 C23_2 C25_2 C27_2 169.39(12) . . . . ?
C22_2 N4_2 C29_2 C30_2 52.21(16) . . . . ?
Ni2_2 N4_2 C29_2 C30_2 -125.70(11) . . . . ?
C22_2 N4_2 C29_2 C31_2 -77.94(15) . . . . ?
Ni2_2 N4_2 C29_2 C31_2 104.14(11) . . . . ?
N4_2 C29_2 C31_2 C33_2 61.43(17) . . . . ?
C30_2 C29_2 C31_2 C33_2 -67.22(17) . . . . ?
N4_2 C29_2 C31_2 C34_2 -60.64(16) . . . . ?
C30_2 C29_2 C31_2 C34_2 170.71(13) . . . . ?
N4_2 C29_2 C31_2 C32_2 -178.03(12) . . . . ?
C30_2 C29_2 C31_2 C32_2 53.32(16) . . . . ?
N6_3 Ni3_3 O5_3 C1_3 122.73(10) . . . . ?
N5_3 Ni3_3 O5_3 C1_3 -51.57(10) . . . . ?
N6_3 Ni3_3 O6_3 C12_3 -40.19(11) . . . . ?
N5_3 Ni3_3 O6_3 C12_3 134.09(11) . . . . ?
O6_3 Ni3_3 N5_3 C11_3 -137.39(11) . . . . ?
O5_3 Ni3_3 N5_3 C11_3 41.78(11) . . . . ?
O6_3 Ni3_3 N5_3 C23_3 42.50(11) . . . . ?
O5_3 Ni3_3 N5_3 C23_3 -138.34(11) . . . . ?
O6_3 Ni3_3 N6_3 C22_3 39.19(11) . . . . ?
O5_3 Ni3_3 N6_3 C22_3 -139.92(11) . . . . ?
O6_3 Ni3_3 N6_3 C29_3 -144.48(10) . . . . ?
O5_3 Ni3_3 N6_3 C29_3 36.41(10) . . . . ?
Ni3_3 O5_3 C1_3 C10_3 31.73(17) . . . . ?
Ni3_3 O5_3 C1_3 C2_3 -150.17(10) . . . . ?
O5_3 C1_3 C2_3 C3_3 174.81(13) . . . . ?
C10_3 C1_3 C2_3 C3_3 -7.0(2) . . . . ?
C1_3 C2_3 C3_3 C4_3 0.6(2) . . . . ?
C2_3 C3_3 C4_3 C5_3 -173.64(14) . . . . ?
C2_3 C3_3 C4_3 C9_3 4.5(2) . . . . ?
C9_3 C4_3 C5_3 C6_3 0.5(2) . . . . ?
C3_3 C4_3 C5_3 C6_3 178.60(14) . . . . ?
C4_3 C5_3 C6_3 C7_3 0.2(2) . . . . ?
C5_3 C6_3 C7_3 C8_3 -0.5(2) . . . . ?
C6_3 C7_3 C8_3 C9_3 0.1(2) . . . . ?
C7_3 C8_3 C9_3 C4_3 0.6(2) . . . . ?
C7_3 C8_3 C9_3 C10_3 -175.20(14) . . . . ?
C5_3 C4_3 C9_3 C8_3 -0.84(19) . . . . ?
C3_3 C4_3 C9_3 C8_3 -179.03(13) . . . . ?
C5_3 C4_3 C9_3 C10_3 175.08(13) . . . . ?
C3_3 C4_3 C9_3 C10_3 -3.11(19) . . . . ?
O5_3 C1_3 C10_3 C9_3 -173.58(12) . . . . ?
C2_3 C1_3 C10_3 C9_3 8.32(19) . . . . ?
O5_3 C1_3 C10_3 C11_3 12.90(19) . . . . ?
C2_3 C1_3 C10_3 C11_3 -165.20(12) . . . . ?
C8_3 C9_3 C10_3 C1_3 172.37(13) . . . . ?
C4_3 C9_3 C10_3 C1_3 -3.34(19) . . . . ?
C8_3 C9_3 C10_3 C11_3 -14.3(2) . . . . ?
C4_3 C9_3 C10_3 C11_3 170.00(12) . . . . ?
C23_3 N5_3 C11_3 C10_3 168.17(13) . . . . ?
Ni3_3 N5_3 C11_3 C10_3 -11.94(19) . . . . ?
C1_3 C10_3 C11_3 N5_3 -23.7(2) . . . . ?
C9_3 C10_3 C11_3 N5_3 162.81(13) . . . . ?
Ni3_3 O6_3 C12_3 C21_3 18.73(19) . . . . ?
Ni3_3 O6_3 C12_3 C13_3 -162.61(10) . . . . ?
O6_3 C12_3 C13_3 C14_3 178.09(14) . . . . ?
C21_3 C12_3 C13_3 C14_3 -3.2(2) . . . . ?
C12_3 C13_3 C14_3 C15_3 -1.6(2) . . . . ?
C13_3 C14_3 C15_3 C20_3 1.8(2) . . . . ?
C13_3 C14_3 C15_3 C16_3 -176.94(15) . . . . ?
C20_3 C15_3 C16_3 C17_3 -0.9(2) . . . . ?
C14_3 C15_3 C16_3 C17_3 177.82(16) . . . . ?
C15_3 C16_3 C17_3 C18_3 -1.2(3) . . . . ?
C16_3 C17_3 C18_3 C19_3 1.4(3) . . . . ?
C17_3 C18_3 C19_3 C20_3 0.5(2) . . . . ?
C16_3 C15_3 C20_3 C19_3 2.8(2) . . . . ?
C14_3 C15_3 C20_3 C19_3 -176.03(13) . . . . ?
C16_3 C15_3 C20_3 C21_3 -178.66(13) . . . . ?
C14_3 C15_3 C20_3 C21_3 2.6(2) . . . . ?
C18_3 C19_3 C20_3 C15_3 -2.6(2) . . . . ?
C18_3 C19_3 C20_3 C21_3 178.90(14) . . . . ?
O6_3 C12_3 C21_3 C22_3 16.1(2) . . . . ?
C13_3 C12_3 C21_3 C22_3 -162.52(13) . . . . ?
O6_3 C12_3 C21_3 C20_3 -173.80(13) . . . . ?
C13_3 C12_3 C21_3 C20_3 7.5(2) . . . . ?
C15_3 C20_3 C21_3 C12_3 -7.30(19) . . . . ?
C19_3 C20_3 C21_3 C12_3 171.22(13) . . . . ?
C15_3 C20_3 C21_3 C22_3 162.61(13) . . . . ?
C19_3 C20_3 C21_3 C22_3 -18.9(2) . . . . ?
C29_3 N6_3 C22_3 C21_3 165.55(12) . . . . ?
Ni3_3 N6_3 C22_3 C21_3 -18.05(18) . . . . ?
C12_3 C21_3 C22_3 N6_3 -16.2(2) . . . . ?
C20_3 C21_3 C22_3 N6_3 173.76(13) . . . . ?
C11_3 N5_3 C23_3 C24_3 33.30(19) . . . . ?
Ni3_3 N5_3 C23_3 C24_3 -146.59(12) . . . . ?
C11_3 N5_3 C23_3 C25_3 -94.88(15) . . . . ?
Ni3_3 N5_3 C23_3 C25_3 85.24(13) . . . . ?
N5_3 C23_3 C25_3 C27_3 -62.86(15) . . . . ?
C24_3 C23_3 C25_3 C27_3 169.61(13) . . . . ?
N5_3 C23_3 C25_3 C26_3 57.66(18) . . . . ?
C24_3 C23_3 C25_3 C26_3 -69.86(18) . . . . ?
N5_3 C23_3 C25_3 C28_3 178.60(13) . . . . ?
C24_3 C23_3 C25_3 C28_3 51.07(17) . . . . ?
C22_3 N6_3 C29_3 C30_3 53.77(16) . . . . ?
Ni3_3 N6_3 C29_3 C30_3 -122.60(11) . . . . ?
C22_3 N6_3 C29_3 C31_3 -77.00(15) . . . . ?
Ni3_3 N6_3 C29_3 C31_3 106.63(11) . . . . ?
N6_3 C29_3 C31_3 C33_3 63.43(16) . . . . ?
C30_3 C29_3 C31_3 C33_3 -65.39(17) . . . . ?
N6_3 C29_3 C31_3 C32_3 -175.73(12) . . . . ?
C30_3 C29_3 C31_3 C32_3 55.45(16) . . . . ?
N6_3 C29_3 C31_3 C34_3 -58.50(15) . . . . ?
C30_3 C29_3 C31_3 C34_3 172.68(13) . . . . ?
N8_4 Ni4_4 O7_4 C1_4 122.86(10) . . . . ?
N7_4 Ni4_4 O7_4 C1_4 -51.58(10) . . . . ?
N8_4 Ni4_4 O8_4 C12_4 -39.35(11) . . . . ?
N7_4 Ni4_4 O8_4 C12_4 135.07(11) . . . . ?
O8_4 Ni4_4 N8_4 C22_4 36.68(11) . . . . ?
O7_4 Ni4_4 N8_4 C22_4 -141.75(11) . . . . ?
O8_4 Ni4_4 N8_4 C29_4 -145.51(10) . . . . ?
O7_4 Ni4_4 N8_4 C29_4 36.06(10) . . . . ?
Ni4_4 O7_4 C1_4 C10_4 33.22(17) . . . . ?
Ni4_4 O7_4 C1_4 C2_4 -148.01(10) . . . . ?
O7_4 C1_4 C2_4 C3_4 174.75(13) . . . . ?
C10_4 C1_4 C2_4 C3_4 -6.4(2) . . . . ?
C1_4 C2_4 C3_4 C4_4 0.3(2) . . . . ?
C2_4 C3_4 C4_4 C5_4 -172.95(14) . . . . ?
C2_4 C3_4 C4_4 C9_4 4.1(2) . . . . ?
C9_4 C4_4 C5_4 C6_4 -0.2(2) . . . . ?
C3_4 C4_4 C5_4 C6_4 176.79(15) . . . . ?
C4_4 C5_4 C6_4 C7_4 0.2(2) . . . . ?
C5_4 C6_4 C7_4 C8_4 0.2(2) . . . . ?
C6_4 C7_4 C8_4 C9_4 -0.6(2) . . . . ?
C7_4 C8_4 C9_4 C4_4 0.5(2) . . . . ?
C7_4 C8_4 C9_4 C10_4 -174.06(13) . . . . ?
C5_4 C4_4 C9_4 C8_4 -0.1(2) . . . . ?
C3_4 C4_4 C9_4 C8_4 -177.20(12) . . . . ?
C5_4 C4_4 C9_4 C10_4 174.71(13) . . . . ?
C3_4 C4_4 C9_4 C10_4 -2.40(19) . . . . ?
O7_4 C1_4 C10_4 C9_4 -173.17(12) . . . . ?
C2_4 C1_4 C10_4 C9_4 8.07(19) . . . . ?
O7_4 C1_4 C10_4 C11_4 10.75(19) . . . . ?
C2_4 C1_4 C10_4 C11_4 -168.01(12) . . . . ?
C8_4 C9_4 C10_4 C1_4 170.74(13) . . . . ?
C4_4 C9_4 C10_4 C1_4 -3.73(19) . . . . ?
C8_4 C9_4 C10_4 C11_4 -13.28(19) . . . . ?
C4_4 C9_4 C10_4 C11_4 172.25(12) . . . . ?
C23_4 N7_4 C11_4 C10_4 170.55(12) . . . . ?
Ni4_4 N7_4 C11_4 C10_4 -11.70(17) . . . . ?
C1_4 C10_4 C11_4 N7_4 -22.36(19) . . . . ?
C9_4 C10_4 C11_4 N7_4 161.56(12) . . . . ?
Ni4_4 O8_4 C12_4 C21_4 19.75(18) . . . . ?
Ni4_4 O8_4 C12_4 C13_4 -161.36(10) . . . . ?
O8_4 C12_4 C13_4 C14_4 178.44(13) . . . . ?
C21_4 C12_4 C13_4 C14_4 -2.6(2) . . . . ?
C12_4 C13_4 C14_4 C15_4 -1.5(2) . . . . ?
C13_4 C14_4 C15_4 C16_4 -176.86(14) . . . . ?
C13_4 C14_4 C15_4 C20_4 2.0(2) . . . . ?
C20_4 C15_4 C16_4 C17_4 -0.4(2) . . . . ?
C14_4 C15_4 C16_4 C17_4 178.37(15) . . . . ?
C15_4 C16_4 C17_4 C18_4 -0.7(2) . . . . ?
C16_4 C17_4 C18_4 C19_4 0.2(2) . . . . ?
C17_4 C18_4 C19_4 C20_4 1.4(2) . . . . ?
C18_4 C19_4 C20_4 C15_4 -2.4(2) . . . . ?
C18_4 C19_4 C20_4 C21_4 179.11(13) . . . . ?
C16_4 C15_4 C20_4 C19_4 1.9(2) . . . . ?
C14_4 C15_4 C20_4 C19_4 -176.89(13) . . . . ?
C16_4 C15_4 C20_4 C21_4 -179.55(13) . . . . ?
C14_4 C15_4 C20_4 C21_4 1.63(19) . . . . ?
O8_4 C12_4 C21_4 C22_4 14.62(19) . . . . ?
C13_4 C12_4 C21_4 C22_4 -164.25(12) . . . . ?
O8_4 C12_4 C21_4 C20_4 -174.96(12) . . . . ?
C13_4 C12_4 C21_4 C20_4 6.17(19) . . . . ?
C19_4 C20_4 C21_4 C12_4 172.71(12) . . . . ?
C15_4 C20_4 C21_4 C12_4 -5.72(19) . . . . ?
C19_4 C20_4 C21_4 C22_4 -16.99(19) . . . . ?
C15_4 C20_4 C21_4 C22_4 164.57(12) . . . . ?
C29_4 N8_4 C22_4 C21_4 166.35(12) . . . . ?
Ni4_4 N8_4 C22_4 C21_4 -15.78(18) . . . . ?
C12_4 C21_4 C22_4 N8_4 -16.3(2) . . . . ?
C20_4 C21_4 C22_4 N8_4 173.27(13) . . . . ?
C11_4 N7_4 C23_4 C24_4 40.76(16) . . . . ?
Ni4_4 N7_4 C23_4 C24_4 -136.95(10) . . . . ?
C11_4 N7_4 C23_4 C25_4 -88.92(14) . . . . ?
Ni4_4 N7_4 C23_4 C25_4 93.37(11) . . . . ?
N7_4 C23_4 C25_4 C26_4 65.17(16) . . . . ?
C24_4 C23_4 C25_4 C26_4 -63.52(16) . . . . ?
N7_4 C23_4 C25_4 C27_4 -57.41(16) . . . . ?
C24_4 C23_4 C25_4 C27_4 173.90(13) . . . . ?
N7_4 C23_4 C25_4 C28_4 -175.29(12) . . . . ?
C24_4 C23_4 C25_4 C28_4 56.02(16) . . . . ?
C22_4 N8_4 C29_4 C30_4 50.92(16) . . . . ?
Ni4_4 N8_4 C29_4 C30_4 -126.94(11) . . . . ?
C22_4 N8_4 C29_4 C31_4 -79.27(15) . . . . ?
Ni4_4 N8_4 C29_4 C31_4 102.87(12) . . . . ?
N8_4 C29_4 C31_4 C33_4 61.35(17) . . . . ?
C30_4 C29_4 C31_4 C33_4 -67.20(17) . . . . ?
N8_4 C29_4 C31_4 C34_4 -60.81(16) . . . . ?
C30_4 C29_4 C31_4 C34_4 170.64(13) . . . . ?
N8_4 C29_4 C31_4 C32_4 -178.00(12) . . . . ?
C30_4 C29_4 C31_4 C32_4 53.45(16) . . . . ?
N10_5 Ni5_5 O9_5 C1_5 131.36(11) . . . . ?
N9_5 Ni5_5 O9_5 C1_5 -46.01(11) . . . . ?
N10_5 Ni5_5 O10_5 C12_5 -43.21(11) . . . . ?
N9_5 Ni5_5 O10_5 C12_5 134.13(11) . . . . ?
O9_5 Ni5_5 N9_5 C11_5 35.87(11) . . . . ?
O10_5 Ni5_5 N9_5 C11_5 -139.66(11) . . . . ?
O9_5 Ni5_5 N9_5 C23_5 -146.39(10) . . . . ?
O10_5 Ni5_5 N9_5 C23_5 38.08(10) . . . . ?
O9_5 Ni5_5 N10_5 C22_5 -136.86(11) . . . . ?
O10_5 Ni5_5 N10_5 C22_5 38.70(11) . . . . ?
O9_5 Ni5_5 N10_5 C29_5 42.60(10) . . . . ?
O10_5 Ni5_5 N10_5 C29_5 -141.84(10) . . . . ?
Ni5_5 O9_5 C1_5 C10_5 30.32(18) . . . . ?
Ni5_5 O9_5 C1_5 C2_5 -150.36(10) . . . . ?
O9_5 C1_5 C2_5 C3_5 175.04(13) . . . . ?
C10_5 C1_5 C2_5 C3_5 -5.6(2) . . . . ?
C1_5 C2_5 C3_5 C4_5 1.2(2) . . . . ?
C2_5 C3_5 C4_5 C5_5 -175.25(15) . . . . ?
C2_5 C3_5 C4_5 C9_5 2.8(2) . . . . ?
C9_5 C4_5 C5_5 C6_5 0.7(2) . . . . ?
C3_5 C4_5 C5_5 C6_5 178.65(16) . . . . ?
C4_5 C5_5 C6_5 C7_5 -0.4(3) . . . . ?
C5_5 C6_5 C7_5 C8_5 0.2(3) . . . . ?
C6_5 C7_5 C8_5 C9_5 -0.3(3) . . . . ?
C5_5 C4_5 C9_5 C8_5 -0.7(2) . . . . ?
C3_5 C4_5 C9_5 C8_5 -178.75(14) . . . . ?
C5_5 C4_5 C9_5 C10_5 175.84(13) . . . . ?
C3_5 C4_5 C9_5 C10_5 -2.2(2) . . . . ?
C7_5 C8_5 C9_5 C4_5 0.5(2) . . . . ?
C7_5 C8_5 C9_5 C10_5 -175.87(16) . . . . ?
O9_5 C1_5 C10_5 C9_5 -174.62(13) . . . . ?
C2_5 C1_5 C10_5 C9_5 6.06(19) . . . . ?
O9_5 C1_5 C10_5 C11_5 9.1(2) . . . . ?
C2_5 C1_5 C10_5 C11_5 -170.22(12) . . . . ?
C4_5 C9_5 C10_5 C1_5 -2.2(2) . . . . ?
C8_5 C9_5 C10_5 C1_5 174.09(14) . . . . ?
C4_5 C9_5 C10_5 C11_5 174.03(12) . . . . ?
C8_5 C9_5 C10_5 C11_5 -9.7(2) . . . . ?
C23_5 N9_5 C11_5 C10_5 172.48(12) . . . . ?
Ni5_5 N9_5 C11_5 C10_5 -9.72(18) . . . . ?
C1_5 C10_5 C11_5 N9_5 -20.2(2) . . . . ?
C9_5 C10_5 C11_5 N9_5 163.49(13) . . . . ?
Ni5_5 O10_5 C12_5 C21_5 23.47(17) . . . . ?
Ni5_5 O10_5 C12_5 C13_5 -157.80(10) . . . . ?
O10_5 C12_5 C13_5 C14_5 178.30(13) . . . . ?
C21_5 C12_5 C13_5 C14_5 -2.9(2) . . . . ?
C12_5 C13_5 C14_5 C15_5 -1.2(2) . . . . ?
C13_5 C14_5 C15_5 C20_5 2.1(2) . . . . ?
C13_5 C14_5 C15_5 C16_5 -176.18(14) . . . . ?
C20_5 C15_5 C16_5 C17_5 -0.6(2) . . . . ?
C14_5 C15_5 C16_5 C17_5 177.64(15) . . . . ?
C15_5 C16_5 C17_5 C18_5 -0.3(2) . . . . ?
C16_5 C17_5 C18_5 C19_5 0.1(2) . . . . ?
C17_5 C18_5 C19_5 C20_5 1.0(2) . . . . ?
C16_5 C15_5 C20_5 C19_5 1.60(19) . . . . ?
C14_5 C15_5 C20_5 C19_5 -176.67(12) . . . . ?
C16_5 C15_5 C20_5 C21_5 179.29(13) . . . . ?
C14_5 C15_5 C20_5 C21_5 1.03(19) . . . . ?
C18_5 C19_5 C20_5 C15_5 -1.8(2) . . . . ?
C18_5 C19_5 C20_5 C21_5 -179.42(13) . . . . ?
O10_5 C12_5 C21_5 C22_5 14.06(19) . . . . ?
C13_5 C12_5 C21_5 C22_5 -164.66(12) . . . . ?
O10_5 C12_5 C21_5 C20_5 -175.33(12) . . . . ?
C13_5 C12_5 C21_5 C20_5 5.96(19) . . . . ?
C15_5 C20_5 C21_5 C12_5 -5.08(19) . . . . ?
C19_5 C20_5 C21_5 C12_5 172.51(12) . . . . ?
C15_5 C20_5 C21_5 C22_5 165.39(12) . . . . ?
C19_5 C20_5 C21_5 C22_5 -17.02(19) . . . . ?
C29_5 N10_5 C22_5 C21_5 165.41(12) . . . . ?
Ni5_5 N10_5 C22_5 C21_5 -15.13(18) . . . . ?
C12_5 C21_5 C22_5 N10_5 -18.4(2) . . . . ?
C20_5 C21_5 C22_5 N10_5 171.08(12) . . . . ?
C11_5 N9_5 C23_5 C24_5 48.54(16) . . . . ?
Ni5_5 N9_5 C23_5 C24_5 -129.26(11) . . . . ?
C11_5 N9_5 C23_5 C25_5 -81.33(15) . . . . ?
Ni5_5 N9_5 C23_5 C25_5 100.87(12) . . . . ?
N9_5 C23_5 C25_5 C26_5 71.99(17) . . . . ?
C24_5 C23_5 C25_5 C26_5 -56.24(17) . . . . ?
N9_5 C23_5 C25_5 C28_5 -168.17(16) . . . . ?
C24_5 C23_5 C25_5 C28_5 63.6(2) . . . . ?
N9_5 C23_5 C25_5 C27_5 -49.51(19) . . . . ?
C24_5 C23_5 C25_5 C27_5 -177.74(16) . . . . ?
C22_5 N10_5 C29_5 C30_5 50.73(16) . . . . ?
Ni5_5 N10_5 C29_5 C30_5 -128.74(11) . . . . ?
C22_5 N10_5 C29_5 C31_5 -79.39(15) . . . . ?
Ni5_5 N10_5 C29_5 C31_5 101.14(11) . . . . ?
N10_5 C29_5 C31_5 C34_5 59.93(16) . . . . ?
C30_5 C29_5 C31_5 C34_5 -68.67(17) . . . . ?
N10_5 C29_5 C31_5 C32_5 -61.66(15) . . . . ?
C30_5 C29_5 C31_5 C32_5 169.74(13) . . . . ?
N10_5 C29_5 C31_5 C33_5 -179.30(12) . . . . ?
C30_5 C29_5 C31_5 C33_5 52.10(16) . . . . ?
N12_6 Ni6_6 O11_6 C1_6 129.90(11) . . . . ?
N11_6 Ni6_6 O11_6 C1_6 -46.74(11) . . . . ?
N12_6 Ni6_6 O12_6 C12_6 -40.63(11) . . . . ?
N11_6 Ni6_6 O12_6 C12_6 135.94(11) . . . . ?
O11_6 Ni6_6 N12_6 C22_6 -138.69(11) . . . . ?
O12_6 Ni6_6 N12_6 C22_6 38.63(11) . . . . ?
O11_6 Ni6_6 N12_6 C29_6 39.05(10) . . . . ?
O12_6 Ni6_6 N12_6 C29_6 -143.63(10) . . . . ?
Ni6_6 O11_6 C1_6 C10_6 27.74(18) . . . . ?
Ni6_6 O11_6 C1_6 C2_6 -154.14(10) . . . . ?
O11_6 C1_6 C2_6 C3_6 175.94(14) . . . . ?
C10_6 C1_6 C2_6 C3_6 -5.8(2) . . . . ?
C1_6 C2_6 C3_6 C4_6 0.0(2) . . . . ?
C2_6 C3_6 C4_6 C5_6 -174.97(15) . . . . ?
C2_6 C3_6 C4_6 C9_6 3.6(2) . . . . ?
C3_6 C4_6 C5_6 C6_6 179.28(16) . . . . ?
C9_6 C4_6 C5_6 C6_6 0.7(2) . . . . ?
C4_6 C5_6 C6_6 C7_6 -0.7(3) . . . . ?
C5_6 C6_6 C7_6 C8_6 0.4(3) . . . . ?
C6_6 C7_6 C8_6 C9_6 -0.1(3) . . . . ?
C7_6 C8_6 C9_6 C4_6 0.0(2) . . . . ?
C7_6 C8_6 C9_6 C10_6 -177.42(15) . . . . ?
C5_6 C4_6 C9_6 C8_6 -0.4(2) . . . . ?
C3_6 C4_6 C9_6 C8_6 -178.97(13) . . . . ?
C5_6 C4_6 C9_6 C10_6 177.21(14) . . . . ?
C3_6 C4_6 C9_6 C10_6 -1.4(2) . . . . ?
O11_6 C1_6 C10_6 C9_6 -173.91(13) . . . . ?
C2_6 C1_6 C10_6 C9_6 8.0(2) . . . . ?
O11_6 C1_6 C10_6 C11_6 13.3(2) . . . . ?
C2_6 C1_6 C10_6 C11_6 -164.80(13) . . . . ?
C8_6 C9_6 C10_6 C1_6 172.99(14) . . . . ?
C4_6 C9_6 C10_6 C1_6 -4.4(2) . . . . ?
C8_6 C9_6 C10_6 C11_6 -14.4(2) . . . . ?
C4_6 C9_6 C10_6 C11_6 168.16(13) . . . . ?
C23_6 N11_6 C11_6 C10_6 168.24(13) . . . . ?
Ni6_6 N11_6 C11_6 C10_6 -11.78(19) . . . . ?
C1_6 C10_6 C11_6 N11_6 -21.6(2) . . . . ?
C9_6 C10_6 C11_6 N11_6 165.59(14) . . . . ?
Ni6_6 O12_6 C12_6 C21_6 19.94(19) . . . . ?
Ni6_6 O12_6 C12_6 C13_6 -160.97(10) . . . . ?
O12_6 C12_6 C13_6 C14_6 177.65(14) . . . . ?
C21_6 C12_6 C13_6 C14_6 -3.2(2) . . . . ?
C12_6 C13_6 C14_6 C15_6 -0.9(2) . . . . ?
C13_6 C14_6 C15_6 C16_6 -177.24(15) . . . . ?
C13_6 C14_6 C15_6 C20_6 2.1(2) . . . . ?
C20_6 C15_6 C16_6 C17_6 0.1(2) . . . . ?
C14_6 C15_6 C16_6 C17_6 179.44(15) . . . . ?
C15_6 C16_6 C17_6 C18_6 -1.3(3) . . . . ?
C16_6 C17_6 C18_6 C19_6 0.6(3) . . . . ?
C17_6 C18_6 C19_6 C20_6 1.3(2) . . . . ?
C16_6 C15_6 C20_6 C19_6 1.7(2) . . . . ?
C14_6 C15_6 C20_6 C19_6 -177.61(13) . . . . ?
C16_6 C15_6 C20_6 C21_6 -179.76(13) . . . . ?
C14_6 C15_6 C20_6 C21_6 0.9(2) . . . . ?
C18_6 C19_6 C20_6 C15_6 -2.4(2) . . . . ?
C18_6 C19_6 C20_6 C21_6 179.09(14) . . . . ?
O12_6 C12_6 C21_6 C22_6 15.5(2) . . . . ?
C13_6 C12_6 C21_6 C22_6 -163.56(13) . . . . ?
O12_6 C12_6 C21_6 C20_6 -174.76(13) . . . . ?
C13_6 C12_6 C21_6 C20_6 6.16(19) . . . . ?
C15_6 C20_6 C21_6 C12_6 -5.08(19) . . . . ?
C19_6 C20_6 C21_6 C12_6 173.37(13) . . . . ?
C15_6 C20_6 C21_6 C22_6 164.48(12) . . . . ?
C19_6 C20_6 C21_6 C22_6 -17.1(2) . . . . ?
C29_6 N12_6 C22_6 C21_6 165.39(12) . . . . ?
Ni6_6 N12_6 C22_6 C21_6 -16.83(18) . . . . ?
C12_6 C21_6 C22_6 N12_6 -16.9(2) . . . . ?
C20_6 C21_6 C22_6 N12_6 173.38(13) . . . . ?
C11_6 N11_6 C23_6 C24_6 36.48(19) . . . . ?
Ni6_6 N11_6 C23_6 C24_6 -143.50(12) . . . . ?
C11_6 N11_6 C23_6 C25_6 -91.96(15) . . . . ?
Ni6_6 N11_6 C23_6 C25_6 88.05(13) . . . . ?
N11_6 C23_6 C25_6 C27_6 -60.84(15) . . . . ?
C24_6 C23_6 C25_6 C27_6 171.29(13) . . . . ?
N11_6 C23_6 C25_6 C26_6 59.58(18) . . . . ?
C24_6 C23_6 C25_6 C26_6 -68.29(18) . . . . ?
N11_6 C23_6 C25_6 C28_6 -179.32(13) . . . . ?
C24_6 C23_6 C25_6 C28_6 52.80(18) . . . . ?
C22_6 N12_6 C29_6 C30_6 53.84(16) . . . . ?
Ni6_6 N12_6 C29_6 C30_6 -123.95(11) . . . . ?
C22_6 N12_6 C29_6 C31_6 -76.33(15) . . . . ?
Ni6_6 N12_6 C29_6 C31_6 105.89(11) . . . . ?
N12_6 C29_6 C31_6 C33_6 62.28(16) . . . . ?
C30_6 C29_6 C31_6 C33_6 -66.34(16) . . . . ?
N12_6 C29_6 C31_6 C32_6 -176.93(11) . . . . ?
C30_6 C29_6 C31_6 C32_6 54.45(15) . . . . ?
N12_6 C29_6 C31_6 C34_6 -59.43(15) . . . . ?
C30_6 C29_6 C31_6 C34_6 171.96(12) . . . . ?
N14_7 Ni7_7 O13_7 C1_7 126.34(12) . . . . ?
N13_7 Ni7_7 O13_7 C1_7 -47.03(12) . . . . ?
N14_7 Ni7_7 O14_7 C12_7 -42.07(12) . . . . ?
N13_7 Ni7_7 O14_7 C12_7 131.30(12) . . . . ?
O14_7 Ni7_7 N13_7 C11_7 -140.03(12) . . . . ?
O13_7 Ni7_7 N13_7 C11_7 39.59(12) . . . . ?
O14_7 Ni7_7 N13_7 C23_7 37.73(12) . . . . ?
O13_7 Ni7_7 N13_7 C23_7 -142.65(12) . . . . ?
O14_7 Ni7_7 N14_7 C22_7 39.21(11) . . . . ?
O13_7 Ni7_7 N14_7 C22_7 -140.42(11) . . . . ?
O14_7 Ni7_7 N14_7 C29_7 -144.89(10) . . . . ?
O13_7 Ni7_7 N14_7 C29_7 35.49(10) . . . . ?
Ni7_7 O13_7 C1_7 C10_7 27.40(19) . . . . ?
Ni7_7 O13_7 C1_7 C2_7 -154.04(11) . . . . ?
O13_7 C1_7 C2_7 C3_7 176.27(14) . . . . ?
C10_7 C1_7 C2_7 C3_7 -5.1(2) . . . . ?
C1_7 C2_7 C3_7 C4_7 -0.2(2) . . . . ?
C2_7 C3_7 C4_7 C5_7 -175.09(15) . . . . ?
C2_7 C3_7 C4_7 C9_7 3.2(2) . . . . ?
C9_7 C4_7 C5_7 C6_7 -0.2(2) . . . . ?
C3_7 C4_7 C5_7 C6_7 178.07(15) . . . . ?
C4_7 C5_7 C6_7 C7_7 -0.8(3) . . . . ?
C5_7 C6_7 C7_7 C8_7 0.8(3) . . . . ?
C6_7 C7_7 C8_7 C9_7 0.1(2) . . . . ?
C7_7 C8_7 C9_7 C4_7 -1.0(2) . . . . ?
C7_7 C8_7 C9_7 C10_7 -177.35(14) . . . . ?
C5_7 C4_7 C9_7 C8_7 1.1(2) . . . . ?
C3_7 C4_7 C9_7 C8_7 -177.23(13) . . . . ?
C5_7 C4_7 C9_7 C10_7 177.50(13) . . . . ?
C3_7 C4_7 C9_7 C10_7 -0.8(2) . . . . ?
O13_7 C1_7 C10_7 C9_7 -174.02(13) . . . . ?
C2_7 C1_7 C10_7 C9_7 7.4(2) . . . . ?
O13_7 C1_7 C10_7 C11_7 13.4(2) . . . . ?
C2_7 C1_7 C10_7 C11_7 -165.15(13) . . . . ?
C8_7 C9_7 C10_7 C1_7 171.68(13) . . . . ?
C4_7 C9_7 C10_7 C1_7 -4.6(2) . . . . ?
C8_7 C9_7 C10_7 C11_7 -15.9(2) . . . . ?
C4_7 C9_7 C10_7 C11_7 167.85(13) . . . . ?
C23_7 N13_7 C11_7 C10_7 168.97(14) . . . . ?
Ni7_7 N13_7 C11_7 C10_7 -13.2(2) . . . . ?
C1_7 C10_7 C11_7 N13_7 -20.8(2) . . . . ?
C9_7 C10_7 C11_7 N13_7 166.63(14) . . . . ?
Ni7_7 O14_7 C12_7 C21_7 21.57(19) . . . . ?
Ni7_7 O14_7 C12_7 C13_7 -159.65(11) . . . . ?
O14_7 C12_7 C13_7 C14_7 178.09(14) . . . . ?
C21_7 C12_7 C13_7 C14_7 -3.1(2) . . . . ?
C12_7 C13_7 C14_7 C15_7 -1.0(2) . . . . ?
C13_7 C14_7 C15_7 C20_7 1.5(2) . . . . ?
C13_7 C14_7 C15_7 C16_7 -177.17(16) . . . . ?
C20_7 C15_7 C16_7 C17_7 -0.3(2) . . . . ?
C14_7 C15_7 C16_7 C17_7 178.33(16) . . . . ?
C15_7 C16_7 C17_7 C18_7 -1.2(3) . . . . ?
C16_7 C17_7 C18_7 C19_7 0.9(3) . . . . ?
C17_7 C18_7 C19_7 C20_7 1.0(2) . . . . ?
C18_7 C19_7 C20_7 C15_7 -2.5(2) . . . . ?
C18_7 C19_7 C20_7 C21_7 179.05(14) . . . . ?
C16_7 C15_7 C20_7 C19_7 2.1(2) . . . . ?
C14_7 C15_7 C20_7 C19_7 -176.56(14) . . . . ?
C16_7 C15_7 C20_7 C21_7 -179.34(13) . . . . ?
C14_7 C15_7 C20_7 C21_7 2.0(2) . . . . ?
O14_7 C12_7 C21_7 C22_7 14.5(2) . . . . ?
C13_7 C12_7 C21_7 C22_7 -164.22(13) . . . . ?
O14_7 C12_7 C21_7 C20_7 -174.73(13) . . . . ?
C13_7 C12_7 C21_7 C20_7 6.5(2) . . . . ?
C19_7 C20_7 C21_7 C12_7 172.43(13) . . . . ?
C15_7 C20_7 C21_7 C12_7 -6.0(2) . . . . ?
C19_7 C20_7 C21_7 C22_7 -17.1(2) . . . . ?
C15_7 C20_7 C21_7 C22_7 164.51(13) . . . . ?
C29_7 N14_7 C22_7 C21_7 166.94(12) . . . . ?
Ni7_7 N14_7 C22_7 C21_7 -17.05(19) . . . . ?
C12_7 C21_7 C22_7 N14_7 -16.6(2) . . . . ?
C20_7 C21_7 C22_7 N14_7 172.74(13) . . . . ?
C11_7 N13_7 C23_7 C24_7 38.6(2) . . . . ?
Ni7_7 N13_7 C23_7 C24_7 -139.17(14) . . . . ?
C11_7 N13_7 C23_7 C25_7 -90.13(17) . . . . ?
Ni7_7 N13_7 C23_7 C25_7 92.08(14) . . . . ?
N13_7 C23_7 C25_7 C26_7 59.5(2) . . . . ?
C24_7 C23_7 C25_7 C26_7 -68.6(3) . . . . ?
N13_7 C23_7 C25_7 C28_7 -63.30(19) . . . . ?
C24_7 C23_7 C25_7 C28_7 168.59(18) . . . . ?
N13_7 C23_7 C25_7 C27_7 179.11(16) . . . . ?
C24_7 C23_7 C25_7 C27_7 51.0(2) . . . . ?
C22_7 N14_7 C29_7 C30_7 54.09(16) . . . . ?
Ni7_7 N14_7 C29_7 C30_7 -121.86(11) . . . . ?
C22_7 N14_7 C29_7 C31_7 -76.45(16) . . . . ?
Ni7_7 N14_7 C29_7 C31_7 107.60(12) . . . . ?
N14_7 C29_7 C31_7 C34_7 63.34(18) . . . . ?
C30_7 C29_7 C31_7 C34_7 -65.44(17) . . . . ?
N14_7 C29_7 C31_7 C32_7 -58.98(16) . . . . ?
C30_7 C29_7 C31_7 C32_7 172.25(13) . . . . ?
N14_7 C29_7 C31_7 C33_7 -176.21(13) . . . . ?
C30_7 C29_7 C31_7 C33_7 55.02(17) . . . . ?
N16_8 Ni8_8 O15_8 C1_8 122.47(10) . . . . ?
N15_8 Ni8_8 O15_8 C1_8 -51.25(10) . . . . ?
N16_8 Ni8_8 O16_8 C12_8 -39.85(11) . . . . ?
N15_8 Ni8_8 O16_8 C12_8 133.86(11) . . . . ?
O16_8 Ni8_8 N15_8 C11_8 -137.07(11) . . . . ?
O15_8 Ni8_8 N15_8 C11_8 42.29(11) . . . . ?
O16_8 Ni8_8 N15_8 C23_8 42.36(10) . . . . ?
O15_8 Ni8_8 N15_8 C23_8 -138.28(10) . . . . ?
O16_8 Ni8_8 N16_8 C22_8 38.46(11) . . . . ?
O15_8 Ni8_8 N16_8 C22_8 -140.82(11) . . . . ?
O16_8 Ni8_8 N16_8 C29_8 -145.07(10) . . . . ?
O15_8 Ni8_8 N16_8 C29_8 35.65(10) . . . . ?
Ni8_8 O15_8 C1_8 C10_8 31.22(17) . . . . ?
Ni8_8 O15_8 C1_8 C2_8 -150.76(10) . . . . ?
O15_8 C1_8 C2_8 C3_8 174.59(13) . . . . ?
C10_8 C1_8 C2_8 C3_8 -7.3(2) . . . . ?
C1_8 C2_8 C3_8 C4_8 0.5(2) . . . . ?
C2_8 C3_8 C4_8 C5_8 -173.20(14) . . . . ?
C2_8 C3_8 C4_8 C9_8 4.5(2) . . . . ?
C9_8 C4_8 C5_8 C6_8 0.4(2) . . . . ?
C3_8 C4_8 C5_8 C6_8 178.04(14) . . . . ?
C4_8 C5_8 C6_8 C7_8 -0.3(2) . . . . ?
C5_8 C6_8 C7_8 C8_8 0.3(2) . . . . ?
C6_8 C7_8 C8_8 C9_8 -0.5(2) . . . . ?
C7_8 C8_8 C9_8 C4_8 0.7(2) . . . . ?
C7_8 C8_8 C9_8 C10_8 -174.85(13) . . . . ?
C5_8 C4_8 C9_8 C8_8 -0.61(19) . . . . ?
C3_8 C4_8 C9_8 C8_8 -178.31(12) . . . . ?
C5_8 C4_8 C9_8 C10_8 175.11(12) . . . . ?
C3_8 C4_8 C9_8 C10_8 -2.59(19) . . . . ?
O15_8 C1_8 C10_8 C9_8 -172.90(12) . . . . ?
C2_8 C1_8 C10_8 C9_8 9.09(19) . . . . ?
O15_8 C1_8 C10_8 C11_8 12.98(19) . . . . ?
C2_8 C1_8 C10_8 C11_8 -165.03(12) . . . . ?
C8_8 C9_8 C10_8 C1_8 171.25(13) . . . . ?
C4_8 C9_8 C10_8 C1_8 -4.23(19) . . . . ?
C8_8 C9_8 C10_8 C11_8 -14.77(19) . . . . ?
C4_8 C9_8 C10_8 C11_8 169.75(12) . . . . ?
C23_8 N15_8 C11_8 C10_8 167.65(12) . . . . ?
Ni8_8 N15_8 C11_8 C10_8 -12.91(18) . . . . ?
C1_8 C10_8 C11_8 N15_8 -22.9(2) . . . . ?
C9_8 C10_8 C11_8 N15_8 162.96(13) . . . . ?
Ni8_8 O16_8 C12_8 C21_8 19.03(19) . . . . ?
Ni8_8 O16_8 C12_8 C13_8 -162.02(10) . . . . ?
O16_8 C12_8 C13_8 C14_8 178.15(14) . . . . ?
C21_8 C12_8 C13_8 C14_8 -2.8(2) . . . . ?
C12_8 C13_8 C14_8 C15_8 -1.8(2) . . . . ?
C13_8 C14_8 C15_8 C20_8 2.1(2) . . . . ?
C13_8 C14_8 C15_8 C16_8 -176.47(15) . . . . ?
C20_8 C15_8 C16_8 C17_8 -0.6(2) . . . . ?
C14_8 C15_8 C16_8 C17_8 177.89(15) . . . . ?
C15_8 C16_8 C17_8 C18_8 -1.0(3) . . . . ?
C16_8 C17_8 C18_8 C19_8 0.9(3) . . . . ?
C17_8 C18_8 C19_8 C20_8 0.9(2) . . . . ?
C16_8 C15_8 C20_8 C19_8 2.4(2) . . . . ?
C14_8 C15_8 C20_8 C19_8 -176.17(13) . . . . ?
C16_8 C15_8 C20_8 C21_8 -179.26(13) . . . . ?
C14_8 C15_8 C20_8 C21_8 2.2(2) . . . . ?
C18_8 C19_8 C20_8 C15_8 -2.5(2) . . . . ?
C18_8 C19_8 C20_8 C21_8 179.17(14) . . . . ?
O16_8 C12_8 C21_8 C22_8 15.5(2) . . . . ?
C13_8 C12_8 C21_8 C22_8 -163.48(13) . . . . ?
O16_8 C12_8 C21_8 C20_8 -174.00(13) . . . . ?
C13_8 C12_8 C21_8 C20_8 7.05(19) . . . . ?
C15_8 C20_8 C21_8 C12_8 -6.79(19) . . . . ?
C19_8 C20_8 C21_8 C12_8 171.49(13) . . . . ?
C15_8 C20_8 C21_8 C22_8 163.58(13) . . . . ?
C19_8 C20_8 C21_8 C22_8 -18.1(2) . . . . ?
C29_8 N16_8 C22_8 C21_8 165.88(12) . . . . ?
Ni8_8 N16_8 C22_8 C21_8 -17.57(18) . . . . ?
C12_8 C21_8 C22_8 N16_8 -15.9(2) . . . . ?
C20_8 C21_8 C22_8 N16_8 173.59(13) . . . . ?
C11_8 N15_8 C23_8 C24_8 35.15(18) . . . . ?
Ni8_8 N15_8 C23_8 C24_8 -144.28(11) . . . . ?
C11_8 N15_8 C23_8 C25_8 -92.89(15) . . . . ?
Ni8_8 N15_8 C23_8 C25_8 87.68(12) . . . . ?
N15_8 C23_8 C25_8 C28_8 177.64(12) . . . . ?
C24_8 C23_8 C25_8 C28_8 50.26(16) . . . . ?
N15_8 C23_8 C25_8 C26_8 56.45(17) . . . . ?
C24_8 C23_8 C25_8 C26_8 -70.93(17) . . . . ?
N15_8 C23_8 C25_8 C27_8 -63.81(14) . . . . ?
C24_8 C23_8 C25_8 C27_8 168.80(12) . . . . ?
C22_8 N16_8 C29_8 C30_8 54.49(16) . . . . ?
Ni8_8 N16_8 C29_8 C30_8 -122.04(11) . . . . ?
C22_8 N16_8 C29_8 C31_8 -76.41(15) . . . . ?
Ni8_8 N16_8 C29_8 C31_8 107.07(11) . . . . ?
N16_8 C29_8 C31_8 C33_8 63.55(16) . . . . ?
C30_8 C29_8 C31_8 C33_8 -65.38(17) . . . . ?
N16_8 C29_8 C31_8 C34_8 -58.73(15) . . . . ?
C30_8 C29_8 C31_8 C34_8 172.34(13) . . . . ?
N16_8 C29_8 C31_8 C32_8 -175.97(12) . . . . ?
C30_8 C29_8 C31_8 C32_8 55.10(16) . . . . ?
N17_9 Ni9_9 O17_9 C1_9 -40.76(11) . . . . ?
N18_9 Ni9_9 O17_9 C1_9 134.60(11) . . . . ?
N17_9 Ni9_9 O18_9 C12_9 128.66(10) . . . . ?
N18_9 Ni9_9 O18_9 C12_9 -46.74(10) . . . . ?
O18_9 Ni9_9 N17_9 C11_9 -138.74(11) . . . . ?
O17_9 Ni9_9 N17_9 C11_9 39.59(11) . . . . ?
O18_9 Ni9_9 N17_9 C23_9 38.34(10) . . . . ?
O17_9 Ni9_9 N17_9 C23_9 -143.33(10) . . . . ?
O18_9 Ni9_9 N18_9 C22_9 39.51(11) . . . . ?
O17_9 Ni9_9 N18_9 C22_9 -138.80(11) . . . . ?
O18_9 Ni9_9 N18_9 C29_9 -140.54(10) . . . . ?
O17_9 Ni9_9 N18_9 C29_9 41.15(11) . . . . ?
Ni9_9 O17_9 C1_9 C10_9 19.05(18) . . . . ?
Ni9_9 O17_9 C1_9 C2_9 -161.88(10) . . . . ?
O17_9 C1_9 C2_9 C3_9 177.63(14) . . . . ?
C10_9 C1_9 C2_9 C3_9 -3.2(2) . . . . ?
C1_9 C2_9 C3_9 C4_9 -1.2(2) . . . . ?
C2_9 C3_9 C4_9 C9_9 1.9(2) . . . . ?
C2_9 C3_9 C4_9 C5_9 -177.01(15) . . . . ?
C9_9 C4_9 C5_9 C6_9 -0.7(2) . . . . ?
C3_9 C4_9 C5_9 C6_9 178.26(15) . . . . ?
C4_9 C5_9 C6_9 C7_9 -0.9(3) . . . . ?
C5_9 C6_9 C7_9 C8_9 0.8(3) . . . . ?
C6_9 C7_9 C8_9 C9_9 1.0(2) . . . . ?
C7_9 C8_9 C9_9 C4_9 -2.5(2) . . . . ?
C7_9 C8_9 C9_9 C10_9 179.16(14) . . . . ?
C5_9 C4_9 C9_9 C8_9 2.4(2) . . . . ?
C3_9 C4_9 C9_9 C8_9 -176.60(13) . . . . ?
C5_9 C4_9 C9_9 C10_9 -179.29(13) . . . . ?
C3_9 C4_9 C9_9 C10_9 1.8(2) . . . . ?
O17_9 C1_9 C10_9 C11_9 16.5(2) . . . . ?
C2_9 C1_9 C10_9 C11_9 -162.55(13) . . . . ?
O17_9 C1_9 C10_9 C9_9 -174.05(12) . . . . ?
C2_9 C1_9 C10_9 C9_9 6.89(19) . . . . ?
C8_9 C9_9 C10_9 C1_9 172.05(13) . . . . ?
C4_9 C9_9 C10_9 C1_9 -6.22(19) . . . . ?
C8_9 C9_9 C10_9 C11_9 -18.7(2) . . . . ?
C4_9 C9_9 C10_9 C11_9 163.04(13) . . . . ?
C23_9 N17_9 C11_9 C10_9 164.94(12) . . . . ?
Ni9_9 N17_9 C11_9 C10_9 -17.92(18) . . . . ?
C1_9 C10_9 C11_9 N17_9 -16.8(2) . . . . ?
C9_9 C10_9 C11_9 N17_9 173.77(13) . . . . ?
Ni9_9 O18_9 C12_9 C21_9 26.81(17) . . . . ?
Ni9_9 O18_9 C12_9 C13_9 -154.86(10) . . . . ?
O18_9 C12_9 C13_9 C14_9 175.48(13) . . . . ?
C21_9 C12_9 C13_9 C14_9 -6.1(2) . . . . ?
C12_9 C13_9 C14_9 C15_9 -0.2(2) . . . . ?
C13_9 C14_9 C15_9 C16_9 -174.09(15) . . . . ?
C13_9 C14_9 C15_9 C20_9 4.2(2) . . . . ?
C20_9 C15_9 C16_9 C17_9 0.3(2) . . . . ?
C14_9 C15_9 C16_9 C17_9 178.58(16) . . . . ?
C15_9 C16_9 C17_9 C18_9 -0.3(3) . . . . ?
C16_9 C17_9 C18_9 C19_9 -0.2(3) . . . . ?
C17_9 C18_9 C19_9 C20_9 0.7(3) . . . . ?
C18_9 C19_9 C20_9 C15_9 -0.7(2) . . . . ?
C18_9 C19_9 C20_9 C21_9 -176.81(15) . . . . ?
C16_9 C15_9 C20_9 C19_9 0.2(2) . . . . ?
C14_9 C15_9 C20_9 C19_9 -178.12(13) . . . . ?
C16_9 C15_9 C20_9 C21_9 176.44(13) . . . . ?
C14_9 C15_9 C20_9 C21_9 -1.9(2) . . . . ?
O18_9 C12_9 C21_9 C20_9 -173.32(12) . . . . ?
C13_9 C12_9 C21_9 C20_9 8.35(19) . . . . ?
O18_9 C12_9 C21_9 C22_9 14.30(19) . . . . ?
C13_9 C12_9 C21_9 C22_9 -164.03(12) . . . . ?
C19_9 C20_9 C21_9 C12_9 171.59(13) . . . . ?
C15_9 C20_9 C21_9 C12_9 -4.45(19) . . . . ?
C19_9 C20_9 C21_9 C22_9 -16.2(2) . . . . ?
C15_9 C20_9 C21_9 C22_9 167.72(12) . . . . ?
C29_9 N18_9 C22_9 C21_9 167.33(12) . . . . ?
Ni9_9 N18_9 C22_9 C21_9 -12.71(19) . . . . ?
C12_9 C21_9 C22_9 N18_9 -21.7(2) . . . . ?
C20_9 C21_9 C22_9 N18_9 165.93(13) . . . . ?
C11_9 N17_9 C23_9 C24_9 54.19(16) . . . . ?
Ni9_9 N17_9 C23_9 C24_9 -122.93(11) . . . . ?
C11_9 N17_9 C23_9 C25_9 -76.26(15) . . . . ?
Ni9_9 N17_9 C23_9 C25_9 106.62(11) . . . . ?
N17_9 C23_9 C25_9 C26_9 61.77(17) . . . . ?
C24_9 C23_9 C25_9 C26_9 -66.85(17) . . . . ?
N17_9 C23_9 C25_9 C28_9 -177.49(12) . . . . ?
C24_9 C23_9 C25_9 C28_9 53.89(16) . . . . ?
N17_9 C23_9 C25_9 C27_9 -59.89(15) . . . . ?
C24_9 C23_9 C25_9 C27_9 171.50(13) . . . . ?
C22_9 N18_9 C29_9 C30_9 36.38(18) . . . . ?
Ni9_9 N18_9 C29_9 C30_9 -143.58(11) . . . . ?
C22_9 N18_9 C29_9 C31_9 -91.98(15) . . . . ?
Ni9_9 N18_9 C29_9 C31_9 88.06(12) . . . . ?
N18_9 C29_9 C31_9 C34_9 57.51(16) . . . . ?
C30_9 C29_9 C31_9 C34_9 -70.19(16) . . . . ?
N18_9 C29_9 C31_9 C33_9 177.99(12) . . . . ?
C30_9 C29_9 C31_9 C33_9 50.29(16) . . . . ?
N18_9 C29_9 C31_9 C32_9 -63.19(14) . . . . ?
C30_9 C29_9 C31_9 C32_9 169.11(12) . . . . ?
N19_10 Ni10_10 O19_10 C1_10 -40.85(11) . . . . ?
N20_10 Ni10_10 O19_10 C1_10 134.25(11) . . . . ?
N19_10 Ni10_10 O20_10 C12_10 128.05(11) . . . . ?
N20_10 Ni10_10 O20_10 C12_10 -47.06(11) . . . . ?
O19_10 Ni10_10 N19_10 C11_10 38.11(11) . . . . ?
O20_10 Ni10_10 N19_10 C11_10 -140.26(11) . . . . ?
O19_10 Ni10_10 N19_10 C23_10 -143.52(10) . . . . ?
O20_10 Ni10_10 N19_10 C23_10 38.11(10) . . . . ?
O19_10 Ni10_10 N20_10 C22_10 -139.57(11) . . . . ?
O20_10 Ni10_10 N20_10 C22_10 38.79(11) . . . . ?
O19_10 Ni10_10 N20_10 C29_10 38.05(10) . . . . ?
O20_10 Ni10_10 N20_10 C29_10 -143.59(10) . . . . ?
Ni10_10 O19_10 C1_10 C10_10 20.45(18) . . . . ?
Ni10_10 O19_10 C1_10 C2_10 -161.06(10) . . . . ?
O19_10 C1_10 C2_10 C3_10 178.16(13) . . . . ?
C10_10 C1_10 C2_10 C3_10 -3.3(2) . . . . ?
C1_10 C2_10 C3_10 C4_10 -1.6(2) . . . . ?
C2_10 C3_10 C4_10 C5_10 -175.68(15) . . . . ?
C2_10 C3_10 C4_10 C9_10 2.4(2) . . . . ?
C9_10 C4_10 C5_10 C6_10 -0.4(2) . . . . ?
C3_10 C4_10 C5_10 C6_10 177.65(15) . . . . ?
C4_10 C5_10 C6_10 C7_10 -0.8(3) . . . . ?
C5_10 C6_10 C7_10 C8_10 0.6(3) . . . . ?
C6_10 C7_10 C8_10 C9_10 0.8(2) . . . . ?
C7_10 C8_10 C9_10 C4_10 -1.9(2) . . . . ?
C7_10 C8_10 C9_10 C10_10 -179.88(13) . . . . ?
C5_10 C4_10 C9_10 C8_10 1.7(2) . . . . ?
C3_10 C4_10 C9_10 C8_10 -176.33(13) . . . . ?
C5_10 C4_10 C9_10 C10_10 179.74(13) . . . . ?
C3_10 C4_10 C9_10 C10_10 1.7(2) . . . . ?
O19_10 C1_10 C10_10 C11_10 15.31(19) . . . . ?
C2_10 C1_10 C10_10 C11_10 -163.17(12) . . . . ?
O19_10 C1_10 C10_10 C9_10 -174.26(12) . . . . ?
C2_10 C1_10 C10_10 C9_10 7.26(19) . . . . ?
C8_10 C9_10 C10_10 C1_10 171.38(13) . . . . ?
C4_10 C9_10 C10_10 C1_10 -6.52(19) . . . . ?
C8_10 C9_10 C10_10 C11_10 -18.38(19) . . . . ?
C4_10 C9_10 C10_10 C11_10 163.72(12) . . . . ?
C23_10 N19_10 C11_10 C10_10 165.45(12) . . . . ?
Ni10_10 N19_10 C11_10 C10_10 -16.15(18) . . . . ?
C1_10 C10_10 C11_10 N19_10 -17.3(2) . . . . ?
C9_10 C10_10 C11_10 N19_10 172.37(13) . . . . ?
Ni10_10 O20_10 C12_10 C21_10 28.66(19) . . . . ?
Ni10_10 O20_10 C12_10 C13_10 -152.80(11) . . . . ?
O20_10 C12_10 C13_10 C14_10 176.66(14) . . . . ?
C21_10 C12_10 C13_10 C14_10 -4.7(2) . . . . ?
C12_10 C13_10 C14_10 C15_10 0.0(2) . . . . ?
C13_10 C14_10 C15_10 C16_10 -175.23(16) . . . . ?
C13_10 C14_10 C15_10 C20_10 2.6(2) . . . . ?
C20_10 C15_10 C16_10 C17_10 0.1(3) . . . . ?
C14_10 C15_10 C16_10 C17_10 177.88(18) . . . . ?
C15_10 C16_10 C17_10 C18_10 -1.2(3) . . . . ?
C16_10 C17_10 C18_10 C19_10 1.1(4) . . . . ?
C17_10 C18_10 C19_10 C20_10 0.1(3) . . . . ?
C18_10 C19_10 C20_10 C15_10 -1.2(3) . . . . ?
C18_10 C19_10 C20_10 C21_10 -177.32(18) . . . . ?
C16_10 C15_10 C20_10 C19_10 1.2(2) . . . . ?
C14_10 C15_10 C20_10 C19_10 -176.72(15) . . . . ?
C16_10 C15_10 C20_10 C21_10 177.40(14) . . . . ?
C14_10 C15_10 C20_10 C21_10 -0.5(2) . . . . ?
O20_10 C12_10 C21_10 C20_10 -174.66(13) . . . . ?
C13_10 C12_10 C21_10 C20_10 6.8(2) . . . . ?
O20_10 C12_10 C21_10 C22_10 11.7(2) . . . . ?
C13_10 C12_10 C21_10 C22_10 -166.78(13) . . . . ?
C19_10 C20_10 C21_10 C12_10 171.76(15) . . . . ?
C15_10 C20_10 C21_10 C12_10 -4.3(2) . . . . ?
C19_10 C20_10 C21_10 C22_10 -14.8(2) . . . . ?
C15_10 C20_10 C21_10 C22_10 169.21(13) . . . . ?
C29_10 N20_10 C22_10 C21_10 169.71(12) . . . . ?
Ni10_10 N20_10 C22_10 C21_10 -12.58(19) . . . . ?
C12_10 C21_10 C22_10 N20_10 -20.2(2) . . . . ?
C20_10 C21_10 C22_10 N20_10 166.17(13) . . . . ?
C11_10 N19_10 C23_10 C24_10 50.40(16) . . . . ?
Ni10_10 N19_10 C23_10 C24_10 -128.00(11) . . . . ?
C11_10 N19_10 C23_10 C25_10 -79.81(15) . . . . ?
Ni10_10 N19_10 C23_10 C25_10 101.79(12) . . . . ?
N19_10 C23_10 C25_10 C27_10 63.13(17) . . . . ?
C24_10 C23_10 C25_10 C27_10 -65.66(17) . . . . ?
N19_10 C23_10 C25_10 C28_10 -59.29(16) . . . . ?
C24_10 C23_10 C25_10 C28_10 171.92(14) . . . . ?
N19_10 C23_10 C25_10 C26_10 -176.43(12) . . . . ?
C24_10 C23_10 C25_10 C26_10 54.78(16) . . . . ?
C22_10 N20_10 C29_10 C30_10 43.72(16) . . . . ?
Ni10_10 N20_10 C29_10 C30_10 -133.94(11) . . . . ?
C22_10 N20_10 C29_10 C31_10 -85.88(15) . . . . ?
Ni10_10 N20_10 C29_10 C31_10 96.46(12) . . . . ?
N20_10 C29_10 C31_10 C34_10 62.77(16) . . . . ?
C30_10 C29_10 C31_10 C34_10 -65.78(16) . . . . ?
N20_10 C29_10 C31_10 C32_10 -59.16(16) . . . . ?
C30_10 C29_10 C31_10 C32_10 172.28(14) . . . . ?
N20_10 C29_10 C31_10 C33_10 -177.79(13) . . . . ?
C30_10 C29_10 C31_10 C33_10 53.65(17) . . . . ?
N21_11 Ni11_11 O21_11 C1_11 -39.25(11) . . . . ?
N22_11 Ni11_11 O21_11 C1_11 134.36(11) . . . . ?
N21_11 Ni11_11 O22_11 C12_11 122.92(11) . . . . ?
N22_11 Ni11_11 O22_11 C12_11 -50.71(11) . . . . ?
O21_11 Ni11_11 N21_11 C11_11 36.74(11) . . . . ?
O22_11 Ni11_11 N21_11 C11_11 -142.61(11) . . . . ?
O21_11 Ni11_11 N21_11 C23_11 -145.75(10) . . . . ?
O22_11 Ni11_11 N21_11 C23_11 34.89(10) . . . . ?
Ni11_11 O21_11 C1_11 C10_11 19.79(19) . . . . ?
Ni11_11 O21_11 C1_11 C2_11 -161.29(10) . . . . ?
O21_11 C1_11 C2_11 C3_11 177.73(14) . . . . ?
C10_11 C1_11 C2_11 C3_11 -3.3(2) . . . . ?
C1_11 C2_11 C3_11 C4_11 -0.9(2) . . . . ?
C2_11 C3_11 C4_11 C5_11 -176.67(15) . . . . ?
C2_11 C3_11 C4_11 C9_11 1.9(2) . . . . ?
C9_11 C4_11 C5_11 C6_11 0.0(2) . . . . ?
C3_11 C4_11 C5_11 C6_11 178.51(15) . . . . ?
C4_11 C5_11 C6_11 C7_11 -1.4(3) . . . . ?
C5_11 C6_11 C7_11 C8_11 1.0(3) . . . . ?
C6_11 C7_11 C8_11 C9_11 0.9(2) . . . . ?
C7_11 C8_11 C9_11 C4_11 -2.2(2) . . . . ?
C7_11 C8_11 C9_11 C10_11 179.76(14) . . . . ?
C5_11 C4_11 C9_11 C8_11 1.7(2) . . . . ?
C3_11 C4_11 C9_11 C8_11 -176.79(13) . . . . ?
C5_11 C4_11 C9_11 C10_11 179.87(13) . . . . ?
C3_11 C4_11 C9_11 C10_11 1.3(2) . . . . ?
O21_11 C1_11 C10_11 C11_11 14.3(2) . . . . ?
C2_11 C1_11 C10_11 C11_11 -164.58(13) . . . . ?
O21_11 C1_11 C10_11 C9_11 -174.67(12) . . . . ?
C2_11 C1_11 C10_11 C9_11 6.43(19) . . . . ?
C8_11 C9_11 C10_11 C1_11 172.52(13) . . . . ?
C4_11 C9_11 C10_11 C1_11 -5.50(19) . . . . ?
C8_11 C9_11 C10_11 C11_11 -16.6(2) . . . . ?
C4_11 C9_11 C10_11 C11_11 165.39(12) . . . . ?
C23_11 N21_11 C11_11 C10_11 166.44(12) . . . . ?
Ni11_11 N21_11 C11_11 C10_11 -15.99(18) . . . . ?
C1_11 C10_11 C11_11 N21_11 -16.0(2) . . . . ?
C9_11 C10_11 C11_11 N21_11 173.01(13) . . . . ?
Ni11_11 O22_11 C12_11 C21_11 31.34(17) . . . . ?
Ni11_11 O22_11 C12_11 C13_11 -150.30(10) . . . . ?
O22_11 C12_11 C13_11 C14_11 175.13(13) . . . . ?
C21_11 C12_11 C13_11 C14_11 -6.4(2) . . . . ?
C12_11 C13_11 C14_11 C15_11 0.4(2) . . . . ?
C13_11 C14_11 C15_11 C16_11 -174.19(15) . . . . ?
C13_11 C14_11 C15_11 C20_11 4.0(2) . . . . ?
C20_11 C15_11 C16_11 C17_11 0.1(2) . . . . ?
C14_11 C15_11 C16_11 C17_11 178.25(15) . . . . ?
C15_11 C16_11 C17_11 C18_11 0.0(3) . . . . ?
C16_11 C17_11 C18_11 C19_11 0.2(3) . . . . ?
C17_11 C18_11 C19_11 C20_11 -0.5(2) . . . . ?
C18_11 C19_11 C20_11 C15_11 0.6(2) . . . . ?
C18_11 C19_11 C20_11 C21_11 -175.58(14) . . . . ?
C16_11 C15_11 C20_11 C19_11 -0.4(2) . . . . ?
C14_11 C15_11 C20_11 C19_11 -178.57(13) . . . . ?
C16_11 C15_11 C20_11 C21_11 175.94(13) . . . . ?
C14_11 C15_11 C20_11 C21_11 -2.25(19) . . . . ?
O22_11 C12_11 C21_11 C20_11 -173.59(12) . . . . ?
C13_11 C12_11 C21_11 C20_11 8.07(19) . . . . ?
O22_11 C12_11 C21_11 C22_11 12.15(19) . . . . ?
C13_11 C12_11 C21_11 C22_11 -166.19(12) . . . . ?
C19_11 C20_11 C21_11 C12_11 172.31(13) . . . . ?
C15_11 C20_11 C21_11 C12_11 -3.80(19) . . . . ?
C19_11 C20_11 C21_11 C22_11 -13.6(2) . . . . ?
C15_11 C20_11 C21_11 C22_11 170.31(12) . . . . ?
C29_11 N22_11 C22_11 C21_11 168.70(12) . . . . ?
Ni11_11 N22_11 C22_11 C21_11 -12.87(18) . . . . ?
C12_11 C21_11 C22_11 N22_11 -22.0(2) . . . . ?
C20_11 C21_11 C22_11 N22_11 163.77(13) . . . . ?
C11_11 N21_11 C23_11 C24_11 53.03(16) . . . . ?
Ni11_11 N21_11 C23_11 C24_11 -124.54(11) . . . . ?
C11_11 N21_11 C23_11 C25_11 -77.37(15) . . . . ?
Ni11_11 N21_11 C23_11 C25_11 105.06(11) . . . . ?
N21_11 C23_11 C25_11 C27_11 64.61(16) . . . . ?
C24_11 C23_11 C25_11 C27_11 -64.20(17) . . . . ?
N21_11 C23_11 C25_11 C28_11 -57.35(16) . . . . ?
C24_11 C23_11 C25_11 C28_11 173.84(13) . . . . ?
N21_11 C23_11 C25_11 C26_11 -174.60(12) . . . . ?
C24_11 C23_11 C25_11 C26_11 56.59(16) . . . . ?
C22_11 N22_11 C29_11 C30_11 40.49(18) . . . . ?
Ni11_11 N22_11 C29_11 C30_11 -137.90(12) . . . . ?
C22_11 N22_11 C29_11 C31_11 -88.93(16) . . . . ?
Ni11_11 N22_11 C29_11 C31_11 92.68(13) . . . . ?
N22_11 C29_11 C31_11 C34_11 62.8(2) . . . . ?
C30_11 C29_11 C31_11 C34_11 -65.4(2) . . . . ?
N22_11 C29_11 C31_11 C33_11 -176.52(14) . . . . ?
C30_11 C29_11 C31_11 C33_11 55.21(18) . . . . ?
N22_11 C29_11 C31_11 C32_11 -59.44(18) . . . . ?
C30_11 C29_11 C31_11 C32_11 172.30(16) . . . . ?
N23_12 Ni12_12 O23_12 C1_12 -45.10(11) . . . . ?
N24_12 Ni12_12 O23_12 C1_12 131.17(11) . . . . ?
N23_12 Ni12_12 O24_12 C12_12 132.09(11) . . . . ?
N24_12 Ni12_12 O24_12 C12_12 -44.20(11) . . . . ?
O24_12 Ni12_12 N23_12 C11_12 -136.66(11) . . . . ?
O23_12 Ni12_12 N23_12 C11_12 40.05(11) . . . . ?
O24_12 Ni12_12 N23_12 C23_12 41.74(10) . . . . ?
O23_12 Ni12_12 N23_12 C23_12 -141.56(10) . . . . ?
O24_12 Ni12_12 N24_12 C22_12 37.18(11) . . . . ?
O23_12 Ni12_12 N24_12 C22_12 -139.50(11) . . . . ?
O24_12 Ni12_12 N24_12 C29_12 -143.84(10) . . . . ?
O23_12 Ni12_12 N24_12 C29_12 39.48(10) . . . . ?
Ni12_12 O23_12 C1_12 C10_12 24.93(19) . . . . ?
Ni12_12 O23_12 C1_12 C2_12 -156.04(11) . . . . ?
O23_12 C1_12 C2_12 C3_12 177.44(14) . . . . ?
C10_12 C1_12 C2_12 C3_12 -3.5(2) . . . . ?
C1_12 C2_12 C3_12 C4_12 -0.3(2) . . . . ?
C2_12 C3_12 C4_12 C9_12 1.6(2) . . . . ?
C2_12 C3_12 C4_12 C5_12 -176.91(15) . . . . ?
C9_12 C4_12 C5_12 C6_12 -0.1(2) . . . . ?
C3_12 C4_12 C5_12 C6_12 178.38(16) . . . . ?
C4_12 C5_12 C6_12 C7_12 -0.9(3) . . . . ?
C5_12 C6_12 C7_12 C8_12 0.4(3) . . . . ?
C6_12 C7_12 C8_12 C9_12 1.1(2) . . . . ?
C7_12 C8_12 C9_12 C4_12 -2.1(2) . . . . ?
C7_12 C8_12 C9_12 C10_12 -179.79(14) . . . . ?
C5_12 C4_12 C9_12 C8_12 1.6(2) . . . . ?
C3_12 C4_12 C9_12 C8_12 -176.94(13) . . . . ?
C5_12 C4_12 C9_12 C10_12 179.38(13) . . . . ?
C3_12 C4_12 C9_12 C10_12 0.9(2) . . . . ?
O23_12 C1_12 C10_12 C11_12 13.9(2) . . . . ?
C2_12 C1_12 C10_12 C11_12 -165.07(13) . . . . ?
O23_12 C1_12 C10_12 C9_12 -175.07(13) . . . . ?
C2_12 C1_12 C10_12 C9_12 5.9(2) . . . . ?
C8_12 C9_12 C10_12 C1_12 173.02(13) . . . . ?
C4_12 C9_12 C10_12 C1_12 -4.7(2) . . . . ?
C8_12 C9_12 C10_12 C11_12 -16.2(2) . . . . ?
C4_12 C9_12 C10_12 C11_12 166.16(13) . . . . ?
C23_12 N23_12 C11_12 C10_12 166.36(12) . . . . ?
Ni12_12 N23_12 C11_12 C10_12 -15.22(19) . . . . ?
C1_12 C10_12 C11_12 N23_12 -19.1(2) . . . . ?
C9_12 C10_12 C11_12 N23_12 169.97(13) . . . . ?
Ni12_12 O24_12 C12_12 C21_12 26.59(18) . . . . ?
Ni12_12 O24_12 C12_12 C13_12 -154.16(10) . . . . ?
O24_12 C12_12 C13_12 C14_12 175.15(14) . . . . ?
C21_12 C12_12 C13_12 C14_12 -5.5(2) . . . . ?
C12_12 C13_12 C14_12 C15_12 1.1(2) . . . . ?
C13_12 C14_12 C15_12 C16_12 -176.17(15) . . . . ?
C13_12 C14_12 C15_12 C20_12 2.8(2) . . . . ?
C20_12 C15_12 C16_12 C17_12 0.5(2) . . . . ?
C14_12 C15_12 C16_12 C17_12 179.44(16) . . . . ?
C15_12 C16_12 C17_12 C18_12 -0.6(3) . . . . ?
C16_12 C17_12 C18_12 C19_12 0.6(3) . . . . ?
C17_12 C18_12 C19_12 C20_12 -0.5(3) . . . . ?
C16_12 C15_12 C20_12 C19_12 -0.4(2) . . . . ?
C14_12 C15_12 C20_12 C19_12 -179.34(14) . . . . ?
C16_12 C15_12 C20_12 C21_12 176.88(14) . . . . ?
C14_12 C15_12 C20_12 C21_12 -2.1(2) . . . . ?
C18_12 C19_12 C20_12 C15_12 0.4(2) . . . . ?
C18_12 C19_12 C20_12 C21_12 -176.76(16) . . . . ?
O24_12 C12_12 C21_12 C22_12 11.5(2) . . . . ?
C13_12 C12_12 C21_12 C22_12 -167.72(12) . . . . ?
O24_12 C12_12 C21_12 C20_12 -174.57(13) . . . . ?
C13_12 C12_12 C21_12 C20_12 6.2(2) . . . . ?
C15_12 C20_12 C21_12 C12_12 -2.4(2) . . . . ?
C19_12 C20_12 C21_12 C12_12 174.68(14) . . . . ?
C15_12 C20_12 C21_12 C22_12 171.41(13) . . . . ?
C19_12 C20_12 C21_12 C22_12 -11.5(2) . . . . ?
C29_12 N24_12 C22_12 C21_12 168.47(12) . . . . ?
Ni12_12 N24_12 C22_12 C21_12 -12.56(19) . . . . ?
C12_12 C21_12 C22_12 N24_12 -18.9(2) . . . . ?
C20_12 C21_12 C22_12 N24_12 167.11(13) . . . . ?
C11_12 N23_12 C23_12 C24_12 53.33(16) . . . . ?
Ni12_12 N23_12 C23_12 C24_12 -125.08(11) . . . . ?
C11_12 N23_12 C23_12 C25_12 -77.17(16) . . . . ?
Ni12_12 N23_12 C23_12 C25_12 104.42(11) . . . . ?
N23_12 C23_12 C25_12 C27_12 62.31(16) . . . . ?
C24_12 C23_12 C25_12 C27_12 -66.44(16) . . . . ?
N23_12 C23_12 C25_12 C26_12 -176.92(12) . . . . ?
C24_12 C23_12 C25_12 C26_12 54.33(15) . . . . ?
N23_12 C23_12 C25_12 C28_12 -59.33(15) . . . . ?
C24_12 C23_12 C25_12 C28_12 171.92(12) . . . . ?
C22_12 N24_12 C29_12 C30_12 55.86(17) . . . . ?
Ni12_12 N24_12 C29_12 C30_12 -123.14(12) . . . . ?
C22_12 N24_12 C29_12 C31_12 -75.53(17) . . . . ?
Ni12_12 N24_12 C29_12 C31_12 105.47(12) . . . . ?
N24_12 C29_12 C31_12 C34_12 -42.11(17) . . . . ?
C30_12 C29_12 C31_12 C34_12 -171.51(13) . . . . ?
N24_12 C29_12 C31_12 C33_12 81.61(16) . . . . ?
C30_12 C29_12 C31_12 C33_12 -47.80(17) . . . . ?
N24_12 C29_12 C31_12 C32_12 -159.61(15) . . . . ?
C30_12 C29_12 C31_12 C32_12 70.99(19) . . . . ?
N25_13 Ni13_13 O25_13 C1_13 -40.24(11) . . . . ?
N26_13 Ni13_13 O25_13 C1_13 136.10(11) . . . . ?
N25_13 Ni13_13 O26_13 C12_13 129.85(11) . . . . ?
N26_13 Ni13_13 O26_13 C12_13 -46.54(11) . . . . ?
O25_13 Ni13_13 N25_13 C11_13 37.99(11) . . . . ?
O26_13 Ni13_13 N25_13 C11_13 -139.72(11) . . . . ?
O25_13 Ni13_13 N25_13 C23_13 -144.08(10) . . . . ?
O26_13 Ni13_13 N25_13 C23_13 38.22(10) . . . . ?
O25_13 Ni13_13 N26_13 C22_13 -137.37(11) . . . . ?
O26_13 Ni13_13 N26_13 C22_13 40.34(11) . . . . ?
O25_13 Ni13_13 N26_13 C29_13 42.93(11) . . . . ?
O26_13 Ni13_13 N26_13 C29_13 -139.35(11) . . . . ?
Ni13_13 O25_13 C1_13 C10_13 19.95(19) . . . . ?
Ni13_13 O25_13 C1_13 C2_13 -160.92(10) . . . . ?
O25_13 C1_13 C2_13 C3_13 177.42(14) . . . . ?
C10_13 C1_13 C2_13 C3_13 -3.4(2) . . . . ?
C1_13 C2_13 C3_13 C4_13 -0.5(2) . . . . ?
C2_13 C3_13 C4_13 C9_13 1.7(2) . . . . ?
C2_13 C3_13 C4_13 C5_13 -177.13(15) . . . . ?
C9_13 C4_13 C5_13 C6_13 0.0(2) . . . . ?
C3_13 C4_13 C5_13 C6_13 178.85(15) . . . . ?
C4_13 C5_13 C6_13 C7_13 -1.1(3) . . . . ?
C5_13 C6_13 C7_13 C8_13 0.7(3) . . . . ?
C6_13 C7_13 C8_13 C9_13 0.8(2) . . . . ?
C7_13 C8_13 C9_13 C4_13 -1.8(2) . . . . ?
C7_13 C8_13 C9_13 C10_13 179.68(14) . . . . ?
C5_13 C4_13 C9_13 C8_13 1.4(2) . . . . ?
C3_13 C4_13 C9_13 C8_13 -177.43(13) . . . . ?
C5_13 C4_13 C9_13 C10_13 179.93(13) . . . . ?
C3_13 C4_13 C9_13 C10_13 1.1(2) . . . . ?
O25_13 C1_13 C10_13 C11_13 15.1(2) . . . . ?
C2_13 C1_13 C10_13 C11_13 -164.05(13) . . . . ?
O25_13 C1_13 C10_13 C9_13 -174.74(13) . . . . ?
C2_13 C1_13 C10_13 C9_13 6.14(19) . . . . ?
C8_13 C9_13 C10_13 C1_13 173.39(13) . . . . ?
C4_13 C9_13 C10_13 C1_13 -5.07(19) . . . . ?
C8_13 C9_13 C10_13 C11_13 -16.6(2) . . . . ?
C4_13 C9_13 C10_13 C11_13 164.95(12) . . . . ?
C23_13 N25_13 C11_13 C10_13 165.54(12) . . . . ?
Ni13_13 N25_13 C11_13 C10_13 -16.49(18) . . . . ?
C1_13 C10_13 C11_13 N25_13 -16.6(2) . . . . ?
C9_13 C10_13 C11_13 N25_13 173.20(13) . . . . ?
Ni13_13 O26_13 C12_13 C21_13 25.80(18) . . . . ?
Ni13_13 O26_13 C12_13 C13_13 -156.25(10) . . . . ?
O26_13 C12_13 C13_13 C14_13 176.30(13) . . . . ?
C21_13 C12_13 C13_13 C14_13 -5.6(2) . . . . ?
C12_13 C13_13 C14_13 C15_13 -0.2(2) . . . . ?
C13_13 C14_13 C15_13 C16_13 -176.00(15) . . . . ?
C13_13 C14_13 C15_13 C20_13 3.3(2) . . . . ?
C20_13 C15_13 C16_13 C17_13 0.2(2) . . . . ?
C14_13 C15_13 C16_13 C17_13 179.44(15) . . . . ?
C15_13 C16_13 C17_13 C18_13 -0.6(2) . . . . ?
C16_13 C17_13 C18_13 C19_13 0.0(2) . . . . ?
C17_13 C18_13 C19_13 C20_13 0.9(2) . . . . ?
C18_13 C19_13 C20_13 C15_13 -1.3(2) . . . . ?
C18_13 C19_13 C20_13 C21_13 -179.22(14) . . . . ?
C16_13 C15_13 C20_13 C19_13 0.7(2) . . . . ?
C14_13 C15_13 C20_13 C19_13 -178.56(13) . . . . ?
C16_13 C15_13 C20_13 C21_13 178.75(13) . . . . ?
C14_13 C15_13 C20_13 C21_13 -0.5(2) . . . . ?
O26_13 C12_13 C21_13 C20_13 -173.72(13) . . . . ?
C13_13 C12_13 C21_13 C20_13 8.34(19) . . . . ?
O26_13 C12_13 C21_13 C22_13 15.4(2) . . . . ?
C13_13 C12_13 C21_13 C22_13 -162.54(12) . . . . ?
C19_13 C20_13 C21_13 C12_13 172.58(13) . . . . ?
C15_13 C20_13 C21_13 C12_13 -5.36(19) . . . . ?
C19_13 C20_13 C21_13 C22_13 -16.8(2) . . . . ?
C15_13 C20_13 C21_13 C22_13 165.28(12) . . . . ?
C29_13 N26_13 C22_13 C21_13 166.20(13) . . . . ?
Ni13_13 N26_13 C22_13 C21_13 -13.51(19) . . . . ?
C12_13 C21_13 C22_13 N26_13 -21.8(2) . . . . ?
C20_13 C21_13 C22_13 N26_13 167.25(13) . . . . ?
C11_13 N25_13 C23_13 C24_13 54.65(16) . . . . ?
Ni13_13 N25_13 C23_13 C24_13 -123.32(11) . . . . ?
C11_13 N25_13 C23_13 C25_13 -75.47(15) . . . . ?
Ni13_13 N25_13 C23_13 C25_13 106.56(12) . . . . ?
N25_13 C23_13 C25_13 C26_13 61.69(17) . . . . ?
C24_13 C23_13 C25_13 C26_13 -66.84(17) . . . . ?
N25_13 C23_13 C25_13 C27_13 -177.50(12) . . . . ?
C24_13 C23_13 C25_13 C27_13 53.97(16) . . . . ?
N25_13 C23_13 C25_13 C28_13 -60.25(16) . . . . ?
C24_13 C23_13 C25_13 C28_13 171.23(13) . . . . ?
C22_13 N26_13 C29_13 C30_13 36.1(2) . . . . ?
Ni13_13 N26_13 C29_13 C30_13 -144.20(13) . . . . ?
C22_13 N26_13 C29_13 C31_13 -92.35(16) . . . . ?
Ni13_13 N26_13 C29_13 C31_13 87.35(14) . . . . ?
N26_13 C29_13 C31_13 C33_13 179.64(14) . . . . ?
C30_13 C29_13 C31_13 C33_13 51.86(19) . . . . ?
N26_13 C29_13 C31_13 C34_13 58.5(2) . . . . ?
C30_13 C29_13 C31_13 C34_13 -69.2(2) . . . . ?
N26_13 C29_13 C31_13 C32_13 -62.14(16) . . . . ?
C30_13 C29_13 C31_13 C32_13 170.08(14) . . . . ?
N27_14 Ni14_14 O27_14 C12_14 -39.33(12) . . . . ?
N28_14 Ni14_14 O27_14 C12_14 133.47(12) . . . . ?
N27_14 Ni14_14 O28_14 C1_14 118.84(11) . . . . ?
N28_14 Ni14_14 O28_14 C1_14 -53.96(11) . . . . ?
O27_14 Ni14_14 N27_14 C22_14 37.78(11) . . . . ?
O28_14 Ni14_14 N27_14 C22_14 -142.10(11) . . . . ?
O27_14 Ni14_14 N27_14 C29_14 -146.95(10) . . . . ?
O28_14 Ni14_14 N27_14 C29_14 33.18(10) . . . . ?
Ni14_14 O28_14 C1_14 C10_14 33.77(17) . . . . ?
Ni14_14 O28_14 C1_14 C2_14 -148.03(10) . . . . ?
O28_14 C1_14 C2_14 C3_14 174.57(13) . . . . ?
C10_14 C1_14 C2_14 C3_14 -7.1(2) . . . . ?
C1_14 C2_14 C3_14 C4_14 0.6(2) . . . . ?
C2_14 C3_14 C4_14 C5_14 -173.04(14) . . . . ?
C2_14 C3_14 C4_14 C9_14 4.8(2) . . . . ?
C9_14 C4_14 C5_14 C6_14 0.9(2) . . . . ?
C3_14 C4_14 C5_14 C6_14 178.69(14) . . . . ?
C4_14 C5_14 C6_14 C7_14 0.5(2) . . . . ?
C5_14 C6_14 C7_14 C8_14 -1.0(2) . . . . ?
C6_14 C7_14 C8_14 C9_14 0.1(2) . . . . ?
C7_14 C8_14 C9_14 C4_14 1.2(2) . . . . ?
C7_14 C8_14 C9_14 C10_14 -174.69(13) . . . . ?
C5_14 C4_14 C9_14 C8_14 -1.72(19) . . . . ?
C3_14 C4_14 C9_14 C8_14 -179.59(12) . . . . ?
C5_14 C4_14 C9_14 C10_14 174.37(12) . . . . ?
C3_14 C4_14 C9_14 C10_14 -3.50(19) . . . . ?
O28_14 C1_14 C10_14 C9_14 -173.48(12) . . . . ?
C2_14 C1_14 C10_14 C9_14 8.34(19) . . . . ?
O28_14 C1_14 C10_14 C11_14 12.55(19) . . . . ?
C2_14 C1_14 C10_14 C11_14 -165.64(12) . . . . ?
C8_14 C9_14 C10_14 C1_14 172.81(13) . . . . ?
C4_14 C9_14 C10_14 C1_14 -3.08(19) . . . . ?
C8_14 C9_14 C10_14 C11_14 -13.4(2) . . . . ?
C4_14 C9_14 C10_14 C11_14 170.72(12) . . . . ?
C23_14 N28_14 C11_14 C10_14 167.80(14) . . . . ?
Ni14_14 N28_14 C11_14 C10_14 -12.26(19) . . . . ?
C1_14 C10_14 C11_14 N28_14 -24.3(2) . . . . ?
C9_14 C10_14 C11_14 N28_14 161.75(13) . . . . ?
Ni14_14 O27_14 C12_14 C21_14 18.74(19) . . . . ?
Ni14_14 O27_14 C12_14 C13_14 -162.38(11) . . . . ?
O27_14 C12_14 C13_14 C14_14 177.46(14) . . . . ?
C21_14 C12_14 C13_14 C14_14 -3.6(2) . . . . ?
C12_14 C13_14 C14_14 C15_14 -1.2(2) . . . . ?
C13_14 C14_14 C15_14 C20_14 2.1(2) . . . . ?
C13_14 C14_14 C15_14 C16_14 -176.43(15) . . . . ?
C20_14 C15_14 C16_14 C17_14 -0.9(2) . . . . ?
C14_14 C15_14 C16_14 C17_14 177.63(16) . . . . ?
C15_14 C16_14 C17_14 C18_14 -0.5(3) . . . . ?
C16_14 C17_14 C18_14 C19_14 0.5(3) . . . . ?
C17_14 C18_14 C19_14 C20_14 0.9(2) . . . . ?
C16_14 C15_14 C20_14 C19_14 2.3(2) . . . . ?
C14_14 C15_14 C20_14 C19_14 -176.28(13) . . . . ?
C16_14 C15_14 C20_14 C21_14 -179.67(13) . . . . ?
C14_14 C15_14 C20_14 C21_14 1.8(2) . . . . ?
C18_14 C19_14 C20_14 C15_14 -2.3(2) . . . . ?
C18_14 C19_14 C20_14 C21_14 179.71(14) . . . . ?
O27_14 C12_14 C21_14 C22_14 15.3(2) . . . . ?
C13_14 C12_14 C21_14 C22_14 -163.52(13) . . . . ?
O27_14 C12_14 C21_14 C20_14 -173.69(13) . . . . ?
C13_14 C12_14 C21_14 C20_14 7.4(2) . . . . ?
C15_14 C20_14 C21_14 C12_14 -6.60(19) . . . . ?
C19_14 C20_14 C21_14 C12_14 171.37(13) . . . . ?
C15_14 C20_14 C21_14 C22_14 164.20(13) . . . . ?
C19_14 C20_14 C21_14 C22_14 -17.8(2) . . . . ?
C29_14 N27_14 C22_14 C21_14 167.43(12) . . . . ?
Ni14_14 N27_14 C22_14 C21_14 -17.19(19) . . . . ?
C12_14 C21_14 C22_14 N27_14 -15.8(2) . . . . ?
C20_14 C21_14 C22_14 N27_14 173.32(13) . . . . ?
C11_14 N28_14 C23_14 C24_14 32.7(2) . . . . ?
Ni14_14 N28_14 C23_14 C24_14 -147.29(14) . . . . ?
C11_14 N28_14 C23_14 C25_14 -95.87(17) . . . . ?
Ni14_14 N28_14 C23_14 C25_14 84.19(14) . . . . ?
N28_14 C23_14 C25_14 C27_14 -62.49(17) . . . . ?
C24_14 C23_14 C25_14 C27_14 169.41(15) . . . . ?
N28_14 C23_14 C25_14 C28_14 178.28(15) . . . . ?
C24_14 C23_14 C25_14 C28_14 50.2(2) . . . . ?
N28_14 C23_14 C25_14 C26_14 58.1(2) . . . . ?
C24_14 C23_14 C25_14 C26_14 -70.0(2) . . . . ?
C22_14 N27_14 C29_14 C30_14 53.62(16) . . . . ?
Ni14_14 N27_14 C29_14 C30_14 -121.72(11) . . . . ?
C22_14 N27_14 C29_14 C31_14 -77.03(15) . . . . ?
Ni14_14 N27_14 C29_14 C31_14 107.64(11) . . . . ?
N27_14 C29_14 C31_14 C33_14 62.82(17) . . . . ?
C30_14 C29_14 C31_14 C33_14 -65.90(17) . . . . ?
N27_14 C29_14 C31_14 C34_14 -59.28(15) . . . . ?
C30_14 C29_14 C31_14 C34_14 172.00(13) . . . . ?
N27_14 C29_14 C31_14 C32_14 -176.70(12) . . . . ?
C30_14 C29_14 C31_14 C32_14 54.58(16) . . . . ?
N29_15 Ni15_15 O29_15 C12_15 -42.56(11) . . . . ?
N30_15 Ni15_15 O29_15 C12_15 130.97(11) . . . . ?
N29_15 Ni15_15 O30_15 C1_15 125.72(11) . . . . ?
N30_15 Ni15_15 O30_15 C1_15 -47.81(11) . . . . ?
O29_15 Ni15_15 N29_15 C22_15 39.70(11) . . . . ?
O30_15 Ni15_15 N29_15 C22_15 -139.77(11) . . . . ?
O29_15 Ni15_15 N29_15 C29_15 -142.98(10) . . . . ?
O30_15 Ni15_15 N29_15 C29_15 37.54(10) . . . . ?
O29_15 Ni15_15 N30_15 C11_15 -139.99(11) . . . . ?
O30_15 Ni15_15 N30_15 C11_15 39.47(11) . . . . ?
O29_15 Ni15_15 N30_15 C23_15 37.90(10) . . . . ?
O30_15 Ni15_15 N30_15 C23_15 -142.63(10) . . . . ?
Ni15_15 O30_15 C1_15 C10_15 29.34(18) . . . . ?
Ni15_15 O30_15 C1_15 C2_15 -152.00(10) . . . . ?
O30_15 C1_15 C2_15 C3_15 175.96(13) . . . . ?
C10_15 C1_15 C2_15 C3_15 -5.3(2) . . . . ?
C1_15 C2_15 C3_15 C4_15 -0.6(2) . . . . ?
C2_15 C3_15 C4_15 C5_15 -173.30(15) . . . . ?
C2_15 C3_15 C4_15 C9_15 3.6(2) . . . . ?
C9_15 C4_15 C5_15 C6_15 -0.2(2) . . . . ?
C3_15 C4_15 C5_15 C6_15 176.62(16) . . . . ?
C4_15 C5_15 C6_15 C7_15 -0.7(3) . . . . ?
C5_15 C6_15 C7_15 C8_15 1.4(3) . . . . ?
C6_15 C7_15 C8_15 C9_15 -1.1(2) . . . . ?
C7_15 C8_15 C9_15 C4_15 0.2(2) . . . . ?
C7_15 C8_15 C9_15 C10_15 -175.33(14) . . . . ?
C5_15 C4_15 C9_15 C8_15 0.5(2) . . . . ?
C3_15 C4_15 C9_15 C8_15 -176.40(13) . . . . ?
C5_15 C4_15 C9_15 C10_15 176.18(14) . . . . ?
C3_15 C4_15 C9_15 C10_15 -0.7(2) . . . . ?
O30_15 C1_15 C10_15 C9_15 -173.25(13) . . . . ?
C2_15 C1_15 C10_15 C9_15 8.10(19) . . . . ?
O30_15 C1_15 C10_15 C11_15 11.5(2) . . . . ?
C2_15 C1_15 C10_15 C11_15 -167.14(12) . . . . ?
C8_15 C9_15 C10_15 C1_15 170.27(13) . . . . ?
C4_15 C9_15 C10_15 C1_15 -5.15(19) . . . . ?
C8_15 C9_15 C10_15 C11_15 -14.6(2) . . . . ?
C4_15 C9_15 C10_15 C11_15 169.97(13) . . . . ?
C23_15 N30_15 C11_15 C10_15 169.15(12) . . . . ?
Ni15_15 N30_15 C11_15 C10_15 -12.91(18) . . . . ?
C1_15 C10_15 C11_15 N30_15 -20.2(2) . . . . ?
C9_15 C10_15 C11_15 N30_15 164.62(13) . . . . ?
Ni15_15 O29_15 C12_15 C21_15 21.33(18) . . . . ?
Ni15_15 O29_15 C12_15 C13_15 -159.98(10) . . . . ?
O29_15 C12_15 C13_15 C14_15 177.99(14) . . . . ?
C21_15 C12_15 C13_15 C14_15 -3.3(2) . . . . ?
C12_15 C13_15 C14_15 C15_15 -1.5(2) . . . . ?
C13_15 C14_15 C15_15 C20_15 2.4(2) . . . . ?
C13_15 C14_15 C15_15 C16_15 -176.30(15) . . . . ?
C20_15 C15_15 C16_15 C17_15 -0.5(2) . . . . ?
C14_15 C15_15 C16_15 C17_15 178.17(16) . . . . ?
C15_15 C16_15 C17_15 C18_15 -1.0(3) . . . . ?
C16_15 C17_15 C18_15 C19_15 0.7(3) . . . . ?
C17_15 C18_15 C19_15 C20_15 1.0(2) . . . . ?
C16_15 C15_15 C20_15 C19_15 2.2(2) . . . . ?
C14_15 C15_15 C20_15 C19_15 -176.49(13) . . . . ?
C16_15 C15_15 C20_15 C21_15 -179.89(13) . . . . ?
C14_15 C15_15 C20_15 C21_15 1.4(2) . . . . ?
C18_15 C19_15 C20_15 C15_15 -2.5(2) . . . . ?
C18_15 C19_15 C20_15 C21_15 179.67(14) . . . . ?
O29_15 C12_15 C21_15 C22_15 15.8(2) . . . . ?
C13_15 C12_15 C21_15 C22_15 -162.91(13) . . . . ?
O29_15 C12_15 C21_15 C20_15 -174.32(12) . . . . ?
C13_15 C12_15 C21_15 C20_15 7.01(19) . . . . ?
C15_15 C20_15 C21_15 C12_15 -6.15(19) . . . . ?
C19_15 C20_15 C21_15 C12_15 171.66(13) . . . . ?
C15_15 C20_15 C21_15 C22_15 163.56(13) . . . . ?
C19_15 C20_15 C21_15 C22_15 -18.6(2) . . . . ?
C29_15 N29_15 C22_15 C21_15 165.83(12) . . . . ?
Ni15_15 N29_15 C22_15 C21_15 -16.80(18) . . . . ?
C12_15 C21_15 C22_15 N29_15 -17.9(2) . . . . ?
C20_15 C21_15 C22_15 N29_15 172.29(13) . . . . ?
C11_15 N30_15 C23_15 C24_15 42.45(17) . . . . ?
Ni15_15 N30_15 C23_15 C24_15 -135.47(11) . . . . ?
C11_15 N30_15 C23_15 C25_15 -87.00(15) . . . . ?
Ni15_15 N30_15 C23_15 C25_15 95.08(12) . . . . ?
N30_15 C23_15 C25_15 C26_15 64.81(17) . . . . ?
C24_15 C23_15 C25_15 C26_15 -63.74(18) . . . . ?
N30_15 C23_15 C25_15 C28_15 -175.92(13) . . . . ?
C24_15 C23_15 C25_15 C28_15 55.54(17) . . . . ?
N30_15 C23_15 C25_15 C27_15 -57.49(18) . . . . ?
C24_15 C23_15 C25_15 C27_15 173.97(16) . . . . ?
C22_15 N29_15 C29_15 C30_15 50.74(16) . . . . ?
Ni15_15 N29_15 C29_15 C30_15 -126.60(11) . . . . ?
C22_15 N29_15 C29_15 C31_15 -79.49(16) . . . . ?
Ni15_15 N29_15 C29_15 C31_15 103.17(12) . . . . ?
N29_15 C29_15 C31_15 C33_15 61.50(18) . . . . ?
C30_15 C29_15 C31_15 C33_15 -67.11(18) . . . . ?
N29_15 C29_15 C31_15 C34_15 -60.77(16) . . . . ?
C30_15 C29_15 C31_15 C34_15 170.62(14) . . . . ?
N29_15 C29_15 C31_15 C32_15 -177.71(12) . . . . ?
C30_15 C29_15 C31_15 C32_15 53.68(17) . . . . ?
N31_16 Ni16_16 O31_16 C12_16 -44.72(11) . . . . ?
N32_16 Ni16_16 O31_16 C12_16 132.07(11) . . . . ?
N31_16 Ni16_16 O32_16 C1_16 133.50(11) . . . . ?
N32_16 Ni16_16 O32_16 C1_16 -43.31(11) . . . . ?
O32_16 Ni16_16 N31_16 C22_16 -136.42(11) . . . . ?
O31_16 Ni16_16 N31_16 C22_16 40.29(11) . . . . ?
O32_16 Ni16_16 N31_16 C29_16 42.75(9) . . . . ?
O31_16 Ni16_16 N31_16 C29_16 -140.54(10) . . . . ?
O32_16 Ni16_16 N32_16 C11_16 36.52(11) . . . . ?
O31_16 Ni16_16 N32_16 C11_16 -140.15(11) . . . . ?
O32_16 Ni16_16 N32_16 C23_16 -144.60(10) . . . . ?
O31_16 Ni16_16 N32_16 C23_16 38.74(10) . . . . ?
Ni16_16 O32_16 C1_16 C10_16 26.14(18) . . . . ?
Ni16_16 O32_16 C1_16 C2_16 -155.08(10) . . . . ?
O32_16 C1_16 C2_16 C3_16 176.02(13) . . . . ?
C10_16 C1_16 C2_16 C3_16 -5.1(2) . . . . ?
C1_16 C2_16 C3_16 C4_16 0.5(2) . . . . ?
C2_16 C3_16 C4_16 C5_16 -176.07(16) . . . . ?
C2_16 C3_16 C4_16 C9_16 2.8(2) . . . . ?
C9_16 C4_16 C5_16 C6_16 0.2(3) . . . . ?
C3_16 C4_16 C5_16 C6_16 179.05(17) . . . . ?
C4_16 C5_16 C6_16 C7_16 -0.9(3) . . . . ?
C5_16 C6_16 C7_16 C8_16 1.0(3) . . . . ?
C6_16 C7_16 C8_16 C9_16 -0.4(3) . . . . ?
C7_16 C8_16 C9_16 C4_16 -0.3(2) . . . . ?
C7_16 C8_16 C9_16 C10_16 -177.20(16) . . . . ?
C5_16 C4_16 C9_16 C8_16 0.4(2) . . . . ?
C3_16 C4_16 C9_16 C8_16 -178.50(14) . . . . ?
C5_16 C4_16 C9_16 C10_16 177.44(14) . . . . ?
C3_16 C4_16 C9_16 C10_16 -1.5(2) . . . . ?
O32_16 C1_16 C10_16 C9_16 -174.82(13) . . . . ?
C2_16 C1_16 C10_16 C9_16 6.42(19) . . . . ?
O32_16 C1_16 C10_16 C11_16 11.1(2) . . . . ?
C2_16 C1_16 C10_16 C11_16 -167.66(12) . . . . ?
C8_16 C9_16 C10_16 C1_16 173.68(14) . . . . ?
C4_16 C9_16 C10_16 C1_16 -3.2(2) . . . . ?
C8_16 C9_16 C10_16 C11_16 -12.4(2) . . . . ?
C4_16 C9_16 C10_16 C11_16 170.78(13) . . . . ?
C23_16 N32_16 C11_16 C10_16 168.47(12) . . . . ?
Ni16_16 N32_16 C11_16 C10_16 -12.65(19) . . . . ?
C1_16 C10_16 C11_16 N32_16 -18.1(2) . . . . ?
C9_16 C10_16 C11_16 N32_16 167.79(13) . . . . ?
Ni16_16 O31_16 C12_16 C21_16 24.13(18) . . . . ?
Ni16_16 O31_16 C12_16 C13_16 -156.84(10) . . . . ?
O31_16 C12_16 C13_16 C14_16 177.23(14) . . . . ?
C21_16 C12_16 C13_16 C14_16 -3.7(2) . . . . ?
C12_16 C13_16 C14_16 C15_16 -0.5(2) . . . . ?
C13_16 C14_16 C15_16 C20_16 1.9(2) . . . . ?
C13_16 C14_16 C15_16 C16_16 -176.07(15) . . . . ?
C20_16 C15_16 C16_16 C17_16 -0.1(2) . . . . ?
C14_16 C15_16 C16_16 C17_16 177.86(15) . . . . ?
C15_16 C16_16 C17_16 C18_16 -0.9(3) . . . . ?
C16_16 C17_16 C18_16 C19_16 0.6(3) . . . . ?
C17_16 C18_16 C19_16 C20_16 0.6(2) . . . . ?
C16_16 C15_16 C20_16 C19_16 1.3(2) . . . . ?
C14_16 C15_16 C20_16 C19_16 -176.68(13) . . . . ?
C16_16 C15_16 C20_16 C21_16 178.88(13) . . . . ?
C14_16 C15_16 C20_16 C21_16 0.9(2) . . . . ?
C18_16 C19_16 C20_16 C15_16 -1.6(2) . . . . ?
C18_16 C19_16 C20_16 C21_16 -179.09(14) . . . . ?
O31_16 C12_16 C21_16 C22_16 14.6(2) . . . . ?
C13_16 C12_16 C21_16 C22_16 -164.45(12) . . . . ?
O31_16 C12_16 C21_16 C20_16 -174.55(12) . . . . ?
C13_16 C12_16 C21_16 C20_16 6.43(19) . . . . ?
C15_16 C20_16 C21_16 C12_16 -5.10(19) . . . . ?
C19_16 C20_16 C21_16 C12_16 172.35(13) . . . . ?
C15_16 C20_16 C21_16 C22_16 165.60(12) . . . . ?
C19_16 C20_16 C21_16 C22_16 -16.95(19) . . . . ?
C29_16 N31_16 C22_16 C21_16 165.04(12) . . . . ?
Ni16_16 N31_16 C22_16 C21_16 -15.78(18) . . . . ?
C12_16 C21_16 C22_16 N31_16 -18.94(19) . . . . ?
C20_16 C21_16 C22_16 N31_16 170.22(12) . . . . ?
C11_16 N32_16 C23_16 C24_16 55.62(17) . . . . ?
Ni16_16 N32_16 C23_16 C24_16 -123.29(12) . . . . ?
C11_16 N32_16 C23_16 C25_16 -75.21(17) . . . . ?
Ni16_16 N32_16 C23_16 C25_16 105.88(12) . . . . ?
N32_16 C23_16 C25_16 C26_16 79.48(16) . . . . ?
C24_16 C23_16 C25_16 C26_16 -49.25(17) . . . . ?
N32_16 C23_16 C25_16 C28_16 -160.87(15) . . . . ?
C24_16 C23_16 C25_16 C28_16 70.40(18) . . . . ?
N32_16 C23_16 C25_16 C27_16 -43.48(16) . . . . ?
C24_16 C23_16 C25_16 C27_16 -172.21(13) . . . . ?
C22_16 N31_16 C29_16 C30_16 53.84(16) . . . . ?
Ni16_16 N31_16 C29_16 C30_16 -125.33(10) . . . . ?
C22_16 N31_16 C29_16 C31_16 -76.77(15) . . . . ?
Ni16_16 N31_16 C29_16 C31_16 104.05(11) . . . . ?
N31_16 C29_16 C31_16 C34_16 63.18(16) . . . . ?
C30_16 C29_16 C31_16 C34_16 -65.66(16) . . . . ?
N31_16 C29_16 C31_16 C33_16 -175.93(11) . . . . ?
C30_16 C29_16 C31_16 C33_16 55.24(15) . . . . ?
N31_16 C29_16 C31_16 C32_16 -58.32(15) . . . . ?
C30_16 C29_16 C31_16 C32_16 172.84(12) . . . . ?

_refine_diff_density_max         0.425
_refine_diff_density_min         -0.641
_refine_diff_density_rms         0.073

