#------------------------------------------------------------------------------
#$Date: 2016-03-21 10:23:07 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178648 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/59/4075910.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4075910
loop_
_publ_author_name
'Gareau, Daniel'
'Sui-Seng, Christine'
'Groux, Laurent F.'
'Brisse, François'
'Zargarian, Davit'
_publ_section_title
;
 Indenyl-Nickel Complexes Bearing a Pendant, Hemilabile Olefin
 Ligand:  Preparation, Characterization, and Catalytic Activities
;
_journal_issue                   16
_journal_name_full               Organometallics
_journal_page_first              4003
_journal_paper_doi               10.1021/om050285u
_journal_volume                  24
_journal_year                    2005
_chemical_compound_source        'Synthesized by the authors. See text'
_chemical_formula_sum            'C55 H48 B Ni P'
_chemical_formula_weight         809.42
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 104.5180(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   15.9152(2)
_cell_length_b                   32.7827(3)
_cell_length_c                   16.5352(2)
_cell_measurement_reflns_used    8121
_cell_measurement_temperature    220(2)
_cell_measurement_theta_max      72.62
_cell_measurement_theta_min      2.70
_cell_volume                     8351.66(17)
_computing_cell_refinement       'SMART (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1999)'
_computing_data_reduction        'SAINT (Bruker, 1999)'
_computing_molecular_graphics    'SHELXTL (Bruker, 1997)'
_computing_publication_material  'UdMX (local program)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      220(2)
_diffrn_detector_area_resol_mean 5.5
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker Smart 2000'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Sealed Tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.030
_diffrn_reflns_av_sigmaI/netI    0.0391
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       40
_diffrn_reflns_limit_k_min       -40
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            101786
_diffrn_reflns_theta_full        72.98
_diffrn_reflns_theta_max         72.98
_diffrn_reflns_theta_min         2.70
_diffrn_standards_decay_%        -0.16
_diffrn_standards_number         634
_exptl_absorpt_coefficient_mu    1.308
_exptl_absorpt_correction_T_max  0.8600
_exptl_absorpt_correction_T_min  0.6900
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sadabs (Sheldrick,1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.287
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3408
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.476
_refine_diff_density_min         -0.222
_refine_diff_density_rms         0.049
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.958
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1063
_refine_ls_number_reflns         16463
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      0.958
_refine_ls_R_factor_all          0.0623
_refine_ls_R_factor_gt           0.0434
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0693P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1126
_refine_ls_wR_factor_ref         0.1199
_reflns_number_gt                11706
_reflns_number_total             16463
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            om050285usi20050413_010927.cif
_cod_data_source_block           danie1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_geom_bond_publ_flag' value 'Y' changed to 'y'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29 (142
times).

'_geom_angle_publ_flag' value 'Y' changed to 'y' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (260
times).

'_geom_torsion_publ_flag' value 'Y' changed to 'y' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (528 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        8351.65(16)
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               4075910
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Ni1 Ni 0.69102(2) 0.062052(10) 0.29518(2) 0.03194(9) Uani 1 1 d .
P1 P 0.81540(3) 0.035600(15) 0.36954(3) 0.03030(11) Uani 1 1 d .
C11 C 0.57210(13) 0.09112(6) 0.25599(13) 0.0361(5) Uani 1 1 d .
C12 C 0.64067(13) 0.12037(6) 0.27376(14) 0.0392(5) Uani 1 1 d .
H12 H 0.6538 0.1391 0.2356 0.047 Uiso 1 1 calc R
C13 C 0.68473(13) 0.11640(6) 0.35746(13) 0.0366(5) Uani 1 1 d .
H13 H 0.7376 0.1291 0.3833 0.044 Uiso 1 1 calc R
C13A C 0.63514(13) 0.08929(6) 0.39859(13) 0.0329(4) Uani 1 1 d .
C14 C 0.64684(14) 0.07664(6) 0.48072(14) 0.0380(5) Uani 1 1 d .
H14 H 0.6960 0.0846 0.5222 0.046 Uiso 1 1 calc R
C15 C 0.58446(15) 0.05211(7) 0.49960(15) 0.0447(5) Uani 1 1 d .
H15 H 0.5907 0.0436 0.5551 0.054 Uiso 1 1 calc R
C16 C 0.51147(14) 0.03943(7) 0.43763(15) 0.0458(6) Uani 1 1 d .
H16 H 0.4686 0.0236 0.4529 0.055 Uiso 1 1 calc R
C17 C 0.50136(13) 0.04965(6) 0.35509(14) 0.0401(5) Uani 1 1 d .
H17 H 0.4542 0.0397 0.3134 0.048 Uiso 1 1 calc R
C17A C 0.56329(13) 0.07521(6) 0.33515(13) 0.0340(4) Uani 1 1 d .
C18 C 0.52172(14) 0.07832(7) 0.17051(13) 0.0441(5) Uani 1 1 d .
H18A H 0.4816 0.1000 0.1444 0.053 Uiso 1 1 calc R
H18B H 0.4880 0.0536 0.1739 0.053 Uiso 1 1 calc R
C19 C 0.58757(15) 0.07008(7) 0.11978(14) 0.0478(6) Uani 1 1 d .
H19A H 0.5587 0.0565 0.0674 0.057 Uiso 1 1 calc R
H19B H 0.6110 0.0960 0.1058 0.057 Uiso 1 1 calc R
C110 C 0.66102(15) 0.04361(7) 0.16765(14) 0.0432(5) Uani 1 1 d D
H110 H 0.7150(9) 0.0456(7) 0.1540(14) 0.052 Uiso 1 1 d D
C111 C 0.65132(16) 0.01223(7) 0.21794(15) 0.0447(5) Uani 1 1 d D
H11A H 0.5988(9) 0.0053(7) 0.2313(14) 0.054 Uiso 1 1 d D
H11B H 0.6934(11) -0.0081(5) 0.2303(14) 0.054 Uiso 1 1 d D
C121 C 0.80104(13) -0.01784(6) 0.39202(13) 0.0365(5) Uani 1 1 d .
C122 C 0.72187(15) -0.02977(7) 0.40599(14) 0.0453(5) Uani 1 1 d .
H122 H 0.6772 -0.0105 0.4017 0.054 Uiso 1 1 calc R
C123 C 0.70843(18) -0.06990(8) 0.42626(16) 0.0589(7) Uani 1 1 d .
H123 H 0.6551 -0.0779 0.4359 0.071 Uiso 1 1 calc R
C124 C 0.7745(2) -0.09810(8) 0.43205(17) 0.0676(8) Uani 1 1 d .
H124 H 0.7654 -0.1254 0.4447 0.081 Uiso 1 1 calc R
C125 C 0.8525(2) -0.08661(8) 0.41965(18) 0.0655(8) Uani 1 1 d .
H125 H 0.8971 -0.1060 0.4250 0.079 Uiso 1 1 calc R
C126 C 0.86665(16) -0.04654(7) 0.39921(15) 0.0509(6) Uani 1 1 d .
H126 H 0.9205 -0.0389 0.3903 0.061 Uiso 1 1 calc R
C131 C 0.90525(13) 0.03709(6) 0.31956(13) 0.0360(5) Uani 1 1 d .
C132 C 0.89308(15) 0.02001(8) 0.24024(14) 0.0480(6) Uani 1 1 d .
H132 H 0.8404 0.0071 0.2147 0.058 Uiso 1 1 calc R
C133 C 0.95885(17) 0.02212(9) 0.19905(16) 0.0610(7) Uani 1 1 d .
H133 H 0.9510 0.0100 0.1461 0.073 Uiso 1 1 calc R
C134 C 1.03568(17) 0.04182(9) 0.23499(19) 0.0646(8) Uani 1 1 d .
H134 H 1.0795 0.0438 0.2062 0.078 Uiso 1 1 calc R
C135 C 1.04770(16) 0.05849(8) 0.31313(19) 0.0596(7) Uani 1 1 d .
H135 H 1.1002 0.0717 0.3382 0.072 Uiso 1 1 calc R
C136 C 0.98347(14) 0.05595(7) 0.35498(16) 0.0466(6) Uani 1 1 d .
H136 H 0.9929 0.0673 0.4087 0.056 Uiso 1 1 calc R
C141 C 0.85901(12) 0.05797(6) 0.47277(13) 0.0332(4) Uani 1 1 d .
C142 C 0.86771(13) 0.03529(7) 0.54583(13) 0.0404(5) Uani 1 1 d .
H142 H 0.8538 0.0074 0.5426 0.048 Uiso 1 1 calc R
C143 C 0.89677(16) 0.05384(8) 0.62287(14) 0.0508(6) Uani 1 1 d .
H143 H 0.9024 0.0384 0.6718 0.061 Uiso 1 1 calc R
C144 C 0.91749(15) 0.09446(8) 0.62862(15) 0.0533(6) Uani 1 1 d .
H144 H 0.9363 0.1068 0.6814 0.064 Uiso 1 1 calc R
C145 C 0.91085(14) 0.11722(7) 0.55740(15) 0.0486(6) Uani 1 1 d .
H145 H 0.9262 0.1450 0.5615 0.058 Uiso 1 1 calc R
C146 C 0.88145(13) 0.09918(6) 0.47967(14) 0.0396(5) Uani 1 1 d .
H146 H 0.8766 0.1149 0.4311 0.047 Uiso 1 1 calc R
B1 B 0.62178(15) 0.23657(7) 0.14569(15) 0.0350(5) Uani 1 1 d .
C151 C 0.70449(13) 0.20475(6) 0.17279(13) 0.0365(5) Uani 1 1 d .
C152 C 0.71683(15) 0.17432(7) 0.11665(15) 0.0457(5) Uani 1 1 d .
H152 H 0.6796 0.1738 0.0627 0.055 Uiso 1 1 calc R
C153 C 0.78123(16) 0.14520(7) 0.13748(18) 0.0553(7) Uani 1 1 d .
H153 H 0.7868 0.1255 0.0978 0.066 Uiso 1 1 calc R
C154 C 0.83766(16) 0.14466(8) 0.21606(19) 0.0583(7) Uani 1 1 d .
H154 H 0.8797 0.1241 0.2314 0.070 Uiso 1 1 calc R
C155 C 0.83049(15) 0.17496(8) 0.27089(17) 0.0553(7) Uani 1 1 d .
H155 H 0.8698 0.1759 0.3238 0.066 Uiso 1 1 calc R
C156 C 0.76581(14) 0.20446(7) 0.24938(15) 0.0440(5) Uani 1 1 d .
H156 H 0.7635 0.2251 0.2883 0.053 Uiso 1 1 calc R
C161 C 0.61605(13) 0.26840(6) 0.22179(13) 0.0370(5) Uani 1 1 d .
C162 C 0.61963(14) 0.25499(7) 0.30344(14) 0.0456(5) Uani 1 1 d .
H162 H 0.6255 0.2269 0.3150 0.055 Uiso 1 1 calc R
C163 C 0.61482(16) 0.28158(8) 0.36771(16) 0.0551(7) Uani 1 1 d .
H163 H 0.6175 0.2712 0.4213 0.066 Uiso 1 1 calc R
C164 C 0.60624(17) 0.32287(9) 0.35396(18) 0.0615(7) Uani 1 1 d .
H164 H 0.6034 0.3408 0.3975 0.074 Uiso 1 1 calc R
C165 C 0.60189(16) 0.33745(8) 0.27455(17) 0.0563(7) Uani 1 1 d .
H165 H 0.5957 0.3656 0.2637 0.068 Uiso 1 1 calc R
C166 C 0.60663(14) 0.31072(7) 0.21069(15) 0.0447(5) Uani 1 1 d .
H166 H 0.6034 0.3215 0.1573 0.054 Uiso 1 1 calc R
C171 C 0.53217(13) 0.20827(6) 0.12076(13) 0.0340(4) Uani 1 1 d .
C172 C 0.47946(13) 0.19992(7) 0.17506(14) 0.0406(5) Uani 1 1 d .
H172 H 0.4947 0.2112 0.2290 0.049 Uiso 1 1 calc R
C173 C 0.40535(14) 0.17559(7) 0.15264(15) 0.0460(6) Uani 1 1 d .
H173 H 0.3713 0.1713 0.1908 0.055 Uiso 1 1 calc R
C174 C 0.38177(14) 0.15771(7) 0.07444(15) 0.0436(5) Uani 1 1 d .
H174 H 0.3321 0.1412 0.0590 0.052 Uiso 1 1 calc R
C175 C 0.43242(14) 0.16464(7) 0.02019(14) 0.0427(5) Uani 1 1 d .
H175 H 0.4179 0.1525 -0.0330 0.051 Uiso 1 1 calc R
C176 C 0.50512(14) 0.18955(6) 0.04295(13) 0.0389(5) Uani 1 1 d .
H176 H 0.5379 0.1940 0.0037 0.047 Uiso 1 1 calc R
C181 C 0.63164(13) 0.26329(6) 0.06404(13) 0.0361(5) Uani 1 1 d .
C182 C 0.56231(15) 0.28422(7) 0.01267(15) 0.0463(6) Uani 1 1 d .
H182 H 0.5069 0.2811 0.0224 0.056 Uiso 1 1 calc R
C183 C 0.57096(17) 0.30937(7) -0.05205(15) 0.0543(6) Uani 1 1 d .
H183 H 0.5221 0.3231 -0.0844 0.065 Uiso 1 1 calc R
C184 C 0.65097(18) 0.31454(7) -0.06962(15) 0.0547(7) Uani 1 1 d .
H184 H 0.6571 0.3313 -0.1138 0.066 Uiso 1 1 calc R
C185 C 0.72111(17) 0.29434(7) -0.02035(15) 0.0488(6) Uani 1 1 d .
H185 H 0.7762 0.2974 -0.0307 0.059 Uiso 1 1 calc R
C186 C 0.71118(14) 0.26944(6) 0.04437(13) 0.0395(5) Uani 1 1 d .
H186 H 0.7604 0.2560 0.0767 0.047 Uiso 1 1 calc R
Ni2 Ni 0.32061(2) 0.813303(11) 0.26829(2) 0.03657(10) Uani 1 1 d .
P2 P 0.44823(3) 0.786295(16) 0.33375(3) 0.03386(12) Uani 1 1 d .
C21 C 0.20023(14) 0.84064(7) 0.23911(15) 0.0433(5) Uani 1 1 d .
C22 C 0.26678(15) 0.87096(7) 0.25754(15) 0.0441(5) Uani 1 1 d .
H22 H 0.2760 0.8913 0.2207 0.053 Uiso 1 1 calc R
C23 C 0.31536(14) 0.86529(6) 0.33893(14) 0.0403(5) Uani 1 1 d .
H23 H 0.3679 0.8785 0.3638 0.048 Uiso 1 1 calc R
C23A C 0.27135(14) 0.83540(6) 0.37970(14) 0.0384(5) Uani 1 1 d .
C24 C 0.28943(15) 0.82005(7) 0.46149(15) 0.0435(5) Uani 1 1 d .
H24 H 0.3379 0.8291 0.5026 0.052 Uiso 1 1 calc R
C25 C 0.23359(16) 0.79113(7) 0.47965(15) 0.0490(6) Uani 1 1 d .
H25 H 0.2438 0.7811 0.5345 0.059 Uiso 1 1 calc R
C26 C 0.16257(15) 0.77638(7) 0.41900(16) 0.0502(6) Uani 1 1 d .
H26 H 0.1267 0.7564 0.4336 0.060 Uiso 1 1 calc R
C27 C 0.14422(14) 0.79063(7) 0.33814(16) 0.0466(6) Uani 1 1 d .
H27 H 0.0967 0.7804 0.2974 0.056 Uiso 1 1 calc R
C27A C 0.19817(13) 0.82081(6) 0.31804(14) 0.0399(5) Uani 1 1 d .
C28 C 0.14617(16) 0.83018(8) 0.15398(15) 0.0558(7) Uani 1 1 d .
H28A H 0.1045 0.8521 0.1328 0.067 Uiso 1 1 calc R
H28B H 0.1139 0.8049 0.1558 0.067 Uiso 1 1 calc R
C29 C 0.20836(18) 0.82493(8) 0.09766(16) 0.0627(7) Uani 1 1 d .
H29A H 0.1775 0.8123 0.0448 0.075 Uiso 1 1 calc R
H29B H 0.2292 0.8517 0.0851 0.075 Uiso 1 1 calc R
C210 C 0.28424(18) 0.79873(9) 0.13937(15) 0.0557(7) Uani 1 1 d D
H210 H 0.3355(10) 0.7991(8) 0.1205(15) 0.067 Uiso 1 1 d D
C211 C 0.27940(18) 0.76517(8) 0.18714(16) 0.0537(7) Uani 1 1 d D
H21A H 0.2263(10) 0.7573(7) 0.1995(15) 0.064 Uiso 1 1 d D
H21B H 0.3220(12) 0.7445(6) 0.1961(15) 0.064 Uiso 1 1 d D
C221 C 0.53407(13) 0.79091(6) 0.27952(13) 0.0351(5) Uani 1 1 d .
C222 C 0.52092(15) 0.77427(7) 0.19940(14) 0.0434(5) Uani 1 1 d .
H222 H 0.4698 0.7597 0.1756 0.052 Uiso 1 1 calc R
C223 C 0.58316(15) 0.77926(7) 0.15565(14) 0.0482(6) Uani 1 1 d .
H223 H 0.5746 0.7675 0.1023 0.058 Uiso 1 1 calc R
C224 C 0.65791(15) 0.80112(7) 0.18847(15) 0.0483(6) Uani 1 1 d .
H224 H 0.6993 0.8048 0.1573 0.058 Uiso 1 1 calc R
C225 C 0.67123(15) 0.81745(8) 0.26709(16) 0.0499(6) Uani 1 1 d .
H225 H 0.7221 0.8323 0.2901 0.060 Uiso 1 1 calc R
C226 C 0.60999(13) 0.81210(7) 0.31268(14) 0.0436(5) Uani 1 1 d .
H226 H 0.6202 0.8230 0.3668 0.052 Uiso 1 1 calc R
C231 C 0.49629(13) 0.80461(7) 0.43973(13) 0.0366(5) Uani 1 1 d .
C232 C 0.51711(14) 0.84581(7) 0.45275(15) 0.0439(5) Uani 1 1 d .
H232 H 0.5086 0.8637 0.4069 0.053 Uiso 1 1 calc R
C233 C 0.55032(15) 0.86050(8) 0.53288(16) 0.0533(6) Uani 1 1 d .
H233 H 0.5650 0.8882 0.5413 0.064 Uiso 1 1 calc R
C234 C 0.56199(17) 0.83454(9) 0.60056(16) 0.0615(7) Uani 1 1 d .
H234 H 0.5833 0.8447 0.6550 0.074 Uiso 1 1 calc R
C235 C 0.54233(17) 0.79379(9) 0.58812(15) 0.0585(7) Uani 1 1 d .
H235 H 0.5506 0.7761 0.6342 0.070 Uiso 1 1 calc R
C236 C 0.51050(15) 0.77864(7) 0.50838(14) 0.0462(6) Uani 1 1 d .
H236 H 0.4984 0.7507 0.5004 0.055 Uiso 1 1 calc R
C241 C 0.43305(13) 0.73194(6) 0.34851(13) 0.0370(5) Uani 1 1 d .
C242 C 0.49157(17) 0.70259(7) 0.33865(18) 0.0602(7) Uani 1 1 d .
H242 H 0.5428 0.7101 0.3239 0.072 Uiso 1 1 calc R
C243 C 0.4743(2) 0.66199(8) 0.3506(2) 0.0844(11) Uani 1 1 d .
H243 H 0.5134 0.6419 0.3421 0.101 Uiso 1 1 calc R
C244 C 0.40115(18) 0.65036(8) 0.37457(19) 0.0646(8) Uani 1 1 d .
H244 H 0.3906 0.6227 0.3830 0.078 Uiso 1 1 calc R
C245 C 0.34368(16) 0.67974(8) 0.38609(17) 0.0545(6) Uani 1 1 d .
H245 H 0.2939 0.6723 0.4034 0.065 Uiso 1 1 calc R
C246 C 0.35917(14) 0.72018(7) 0.37225(15) 0.0470(6) Uani 1 1 d .
H246 H 0.3190 0.7401 0.3790 0.056 Uiso 1 1 calc R
B2 B 0.27546(15) 0.98747(7) 0.12064(15) 0.0336(5) Uani 1 1 d .
C251 C 0.28564(14) 1.01508(6) 0.04050(13) 0.0365(5) Uani 1 1 d .
C252 C 0.36387(14) 1.02093(6) 0.01897(13) 0.0399(5) Uani 1 1 d .
H252 H 0.4129 1.0065 0.0489 0.048 Uiso 1 1 calc R
C253 C 0.37311(17) 1.04697(7) -0.04455(14) 0.0496(6) Uani 1 1 d .
H253 H 0.4275 1.0500 -0.0564 0.060 Uiso 1 1 calc R
C254 C 0.30262(19) 1.06829(7) -0.09000(15) 0.0571(7) Uani 1 1 d .
H254 H 0.3082 1.0860 -0.1330 0.069 Uiso 1 1 calc R
C255 C 0.22349(18) 1.06319(8) -0.07138(16) 0.0587(7) Uani 1 1 d .
H255 H 0.1747 1.0776 -0.1020 0.070 Uiso 1 1 calc R
C256 C 0.21531(16) 1.03720(7) -0.00822(15) 0.0503(6) Uani 1 1 d .
H256 H 0.1605 1.0342 0.0027 0.060 Uiso 1 1 calc R
C261 C 0.27873(12) 1.01772(6) 0.20080(13) 0.0346(5) Uani 1 1 d .
C262 C 0.27692(14) 1.06040(7) 0.19476(15) 0.0418(5) Uani 1 1 d .
H262 H 0.2764 1.0725 0.1431 0.050 Uiso 1 1 calc R
C263 C 0.27590(15) 1.08549(7) 0.26221(16) 0.0496(6) Uani 1 1 d .
H263 H 0.2746 1.1140 0.2551 0.060 Uiso 1 1 calc R
C264 C 0.27682(14) 1.06952(8) 0.33884(16) 0.0490(6) Uani 1 1 d .
H264 H 0.2756 1.0867 0.3841 0.059 Uiso 1 1 calc R
C265 C 0.27951(13) 1.02780(8) 0.34846(14) 0.0458(6) Uani 1 1 d .
H265 H 0.2804 1.0162 0.4007 0.055 Uiso 1 1 calc R
C266 C 0.28089(13) 1.00281(7) 0.28120(13) 0.0397(5) Uani 1 1 d .
H266 H 0.2834 0.9744 0.2897 0.048 Uiso 1 1 calc R
C271 C 0.35442(13) 0.95319(6) 0.14290(13) 0.0344(5) Uani 1 1 d .
C272 C 0.42296(14) 0.95343(7) 0.21434(15) 0.0469(6) Uani 1 1 d .
H272 H 0.4252 0.9743 0.2538 0.056 Uiso 1 1 calc R
C273 C 0.48857(16) 0.92399(8) 0.22996(17) 0.0571(7) Uani 1 1 d .
H273 H 0.5336 0.9255 0.2791 0.069 Uiso 1 1 calc R
C274 C 0.48791(16) 0.89305(8) 0.17438(17) 0.0553(7) Uani 1 1 d .
H274 H 0.5314 0.8729 0.1851 0.066 Uiso 1 1 calc R
C275 C 0.42226(17) 0.89208(8) 0.10265(17) 0.0566(7) Uani 1 1 d .
H275 H 0.4211 0.8713 0.0632 0.068 Uiso 1 1 calc R
C276 C 0.35753(15) 0.92145(7) 0.08769(15) 0.0480(6) Uani 1 1 d .
H276 H 0.3135 0.9199 0.0378 0.058 Uiso 1 1 calc R
C281 C 0.18166(13) 0.96288(6) 0.09522(13) 0.0343(4) Uani 1 1 d .
C282 C 0.14934(15) 0.94626(7) 0.01530(14) 0.0474(6) Uani 1 1 d .
H282 H 0.1817 0.9500 -0.0245 0.057 Uiso 1 1 calc R
C283 C 0.07235(16) 0.92473(8) -0.00791(15) 0.0546(6) Uani 1 1 d .
H283 H 0.0544 0.9138 -0.0621 0.065 Uiso 1 1 calc R
C284 C 0.02182(15) 0.91911(7) 0.04739(16) 0.0497(6) Uani 1 1 d .
H284 H -0.0310 0.9048 0.0315 0.060 Uiso 1 1 calc R
C285 C 0.05063(15) 0.93498(7) 0.12692(16) 0.0513(6) Uani 1 1 d .
H285 H 0.0173 0.9315 0.1660 0.062 Uiso 1 1 calc R
C286 C 0.12844(14) 0.95606(7) 0.14932(14) 0.0446(5) Uani 1 1 d .
H286 H 0.1464 0.9663 0.2040 0.054 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni -3.0029 0.5091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
C12 NI1 C13 39.28(8) y
C12 NI1 C11 40.30(8) y
C13 NI1 C11 66.80(8) y
C12 NI1 C111 125.29(9) y
C13 NI1 C111 159.80(9) y
C11 NI1 C111 93.23(9) y
C12 NI1 C110 96.42(9) y
C13 NI1 C110 135.17(9) y
C11 NI1 C110 81.98(9) y
C111 NI1 C110 37.62(9) y
C12 NI1 P1 134.97(6) y
C13 NI1 P1 101.96(6) y
C11 NI1 P1 165.26(6) y
C111 NI1 P1 97.17(7) y
C110 NI1 P1 112.56(6) y
C12 NI1 C13A 64.06(8) y
C13 NI1 C13A 38.74(7) y
C11 NI1 C13A 63.91(8) y
C111 NI1 C13A 130.56(9) y
C110 NI1 C13A 144.60(8) y
P1 NI1 C13A 101.35(5) y
C12 NI1 C17A 63.22(8) y
C13 NI1 C17A 62.98(7) y
C11 NI1 C17A 37.84(7) y
C111 NI1 C17A 99.66(9) y
C110 NI1 C17A 109.78(8) y
P1 NI1 C17A 129.29(5) y
C13A NI1 C17A 35.77(7) y
C121 P1 C131 105.77(10) y
C121 P1 C141 103.51(9) y
C131 P1 C141 104.79(9) y
C121 P1 NI1 110.38(7) y
C131 P1 NI1 115.40(7) y
C141 P1 NI1 115.86(7) y
C12 C11 C17A 107.36(18) y
C12 C11 C18 125.6(2) y
C17A C11 C18 126.95(19) y
C12 C11 NI1 69.71(11) y
C17A C11 NI1 80.76(12) y
C18 C11 NI1 113.36(14) y
C13 C12 C11 108.10(19) y
C13 C12 NI1 70.52(12) y
C11 C12 NI1 69.99(11) y
C13 C12 H12 125.9 ?
C11 C12 H12 125.9 ?
NI1 C12 H12 125.1 ?
C12 C13 C13A 108.82(18) y
C12 C13 NI1 70.20(12) y
C13A C13 NI1 78.92(11) y
C12 C13 H13 125.6 ?
C13A C13 H13 125.6 ?
NI1 C13 H13 117.1 ?
C14 C13A C17A 120.75(19) y
C14 C13A C13 132.87(19) y
C17A C13A C13 106.37(18) y
C14 C13A NI1 129.11(14) y
C17A C13A NI1 73.40(11) y
C13 C13A NI1 62.34(10) y
C15 C14 C13A 118.1(2) y
C15 C14 H14 121 ?
C13A C14 H14 121 ?
C14 C15 C16 121.3(2) y
C14 C15 H15 119.3 ?
C16 C15 H15 119.3 ?
C17 C16 C15 121.4(2) y
C17 C16 H16 119.3 ?
C15 C16 H16 119.3 ?
C16 C17 C17A 117.9(2) y
C16 C17 H17 121.1 ?
C17A C17 H17 121.1 ?
C17 C17A C13A 120.41(19) y
C17 C17A C11 131.6(2) y
C13A C17A C11 107.93(18) y
C17 C17A NI1 132.40(15) y
C13A C17A NI1 70.84(11) y
C11 C17A NI1 61.4(1) y
C11 C18 C19 106.85(18) y
C11 C18 H18A 110.4 ?
C19 C18 H18A 110.4 ?
C11 C18 H18B 110.4 ?
C19 C18 H18B 110.4 ?
H18A C18 H18B 108.6 ?
C110 C19 C18 111.26(18) y
C110 C19 H19A 109.4 ?
C18 C19 H19A 109.4 ?
C110 C19 H19B 109.4 ?
C18 C19 H19B 109.4 ?
H19A C19 H19B 108 ?
C111 C110 C19 124.4(2) y
C111 C110 NI1 68.88(13) y
C19 C110 NI1 107.92(15) y
C111 C110 H110 116.7(14) ?
C19 C110 H110 117.8(14) ?
NI1 C110 H110 103.0(14) ?
C110 C111 NI1 73.50(14) y
C110 C111 H11A 124.7(14) ?
NI1 C111 H11A 101.3(14) ?
C110 C111 H11B 119.5(12) ?
NI1 C111 H11B 109.7(12) ?
H11A C111 H11B 114(2) ?
C126 C121 C122 119.2(2) y
C126 C121 P1 122.70(17) y
C122 C121 P1 118.03(16) y
C123 C122 C121 120.5(2) y
C123 C122 H122 119.8 ?
C121 C122 H122 119.8 ?
C124 C123 C122 119.3(3) y
C124 C123 H123 120.4 ?
C122 C123 H123 120.4 ?
C125 C124 C123 120.7(2) y
C125 C124 H124 119.7 ?
C123 C124 H124 119.7 ?
C124 C125 C126 120.6(2) y
C124 C125 H125 119.7 ?
C126 C125 H125 119.7 ?
C121 C126 C125 119.8(2) y
C121 C126 H126 120.1 ?
C125 C126 H126 120.1 ?
C136 C131 C132 118.4(2) y
C136 C131 P1 123.06(17) y
C132 C131 P1 118.42(17) y
C133 C132 C131 119.9(2) y
C133 C132 H132 120.1 ?
C131 C132 H132 120.1 ?
C134 C133 C132 120.6(3) y
C134 C133 H133 119.7 ?
C132 C133 H133 119.7 ?
C135 C134 C133 119.5(2) y
C135 C134 H134 120.3 ?
C133 C134 H134 120.3 ?
C134 C135 C136 120.3(3) y
C134 C135 H135 119.8 ?
C136 C135 H135 119.8 ?
C135 C136 C131 121.3(2) y
C135 C136 H136 119.4 ?
C131 C136 H136 119.4 ?
C146 C141 C142 118.5(2) y
C146 C141 P1 119.65(16) y
C142 C141 P1 121.79(16) y
C143 C142 C141 120.1(2) y
C143 C142 H142 120 ?
C141 C142 H142 120 ?
C144 C143 C142 120.7(2) y
C144 C143 H143 119.6 ?
C142 C143 H143 119.6 ?
C143 C144 C145 120.2(2) y
C143 C144 H144 119.9 ?
C145 C144 H144 119.9 ?
C144 C145 C146 119.9(2) y
C144 C145 H145 120.1 ?
C146 C145 H145 120.1 ?
C145 C146 C141 120.6(2) y
C145 C146 H146 119.7 ?
C141 C146 H146 119.7 ?
C181 B1 C151 108.95(17) y
C181 B1 C161 108.81(17) y
C151 B1 C161 112.59(18) y
C181 B1 C171 110.17(17) y
C151 B1 C171 106.88(16) y
C161 B1 C171 109.44(16) y
C156 C151 C152 114.4(2) y
C156 C151 B1 125.5(2) y
C152 C151 B1 120.11(19) y
C153 C152 C151 122.9(2) y
C153 C152 H152 118.6 ?
C151 C152 H152 118.6 ?
C152 C153 C154 120.7(3) y
C152 C153 H153 119.7 ?
C154 C153 H153 119.7 ?
C155 C154 C153 118.1(2) y
C155 C154 H154 121 ?
C153 C154 H154 121 ?
C154 C155 C156 120.9(2) y
C154 C155 H155 119.5 ?
C156 C155 H155 119.5 ?
C155 C156 C151 122.9(2) y
C155 C156 H156 118.6 ?
C151 C156 H156 118.6 ?
C166 C161 C162 114.3(2) y
C166 C161 B1 123.3(2) y
C162 C161 B1 122.41(19) y
C163 C162 C161 122.7(2) y
C163 C162 H162 118.7 ?
C161 C162 H162 118.7 ?
C164 C163 C162 120.9(2) y
C164 C163 H163 119.6 ?
C162 C163 H163 119.6 ?
C163 C164 C165 118.5(2) y
C163 C164 H164 120.8 ?
C165 C164 H164 120.8 ?
C164 C165 C166 120.3(2) y
C164 C165 H165 119.8 ?
C166 C165 H165 119.8 ?
C165 C166 C161 123.3(2) y
C165 C166 H166 118.3 ?
C161 C166 H166 118.3 ?
C176 C171 C172 114.20(19) y
C176 C171 B1 121.44(18) y
C172 C171 B1 124.32(19) y
C173 C172 C171 122.9(2) y
C173 C172 H172 118.5 ?
C171 C172 H172 118.5 ?
C174 C173 C172 120.3(2) y
C174 C173 H173 119.9 ?
C172 C173 H173 119.9 ?
C175 C174 C173 118.5(2) y
C175 C174 H174 120.8 ?
C173 C174 H174 120.8 ?
C174 C175 C176 120.5(2) y
C174 C175 H175 119.7 ?
C176 C175 H175 119.7 ?
C175 C176 C171 123.6(2) y
C175 C176 H176 118.2 ?
C171 C176 H176 118.2 ?
C182 C181 C186 114.3(2) y
C182 C181 B1 122.51(19) y
C186 C181 B1 122.98(19) y
C183 C182 C181 123.2(2) y
C183 C182 H182 118.4 ?
C181 C182 H182 118.4 ?
C182 C183 C184 120.6(2) y
C182 C183 H183 119.7 ?
C184 C183 H183 119.7 ?
C185 C184 C183 118.0(2) y
C185 C184 H184 121 ?
C183 C184 H184 121 ?
C184 C185 C186 120.5(2) y
C184 C185 H185 119.7 ?
C186 C185 H185 119.7 ?
C185 C186 C181 123.3(2) y
C185 C186 H186 118.3 ?
C181 C186 H186 118.3 ?
C21 NI2 C22 40.53(8) y
C21 NI2 C211 93.15(10) y
C22 NI2 C211 125.83(10) y
C21 NI2 C23 66.99(9) y
C22 NI2 C23 39.08(8) y
C211 NI2 C23 159.82(10) y
C21 NI2 C210 81.89(10) y
C22 NI2 C210 96.72(10) y
C211 NI2 C210 38.1(1) y
C23 NI2 C210 135.28(10) y
C21 NI2 P2 165.10(7) y
C22 NI2 P2 135.45(7) y
C211 NI2 P2 96.55(7) y
C23 NI2 P2 102.27(6) y
C210 NI2 P2 112.61(8) y
C21 NI2 C23A 64.25(9) y
C22 NI2 C23A 64.01(9) y
C211 NI2 C23A 130.2(1) y
C23 NI2 C23A 38.73(8) y
C210 NI2 C23A 144.83(9) y
P2 NI2 C23A 100.87(6) y
C21 NI2 C27A 38.66(8) y
C22 NI2 C27A 64.17(8) y
C211 NI2 C27A 98.84(10) y
C23 NI2 C27A 63.68(8) y
C210 NI2 C27A 109.89(10) y
P2 NI2 C27A 128.02(6) y
C23A NI2 C27A 36.05(7) y
C221 P2 C241 106.77(9) y
C221 P2 C231 105.05(9) y
C241 P2 C231 103.32(10) y
C221 P2 NI2 115.64(7) y
C241 P2 NI2 108.53(7) y
C231 P2 NI2 116.47(7) y
C22 C21 C27A 107.4(2) y
C22 C21 C28 125.6(2) y
C27A C21 C28 126.9(2) y
C22 C21 NI2 69.91(12) y
C27A C21 NI2 79.95(13) y
C28 C21 NI2 113.77(16) y
C23 C22 C21 108.5(2) y
C23 C22 NI2 71.05(12) y
C21 C22 NI2 69.55(12) y
C23 C22 H22 125.8 ?
C21 C22 H22 125.8 ?
NI2 C22 H22 125.2 ?
C22 C23 C23A 108.8(2) y
C22 C23 NI2 69.87(12) y
C23A C23 NI2 78.53(12) y
C22 C23 H23 125.6 ?
C23A C23 H23 125.6 ?
NI2 C23 H23 117.8 ?
C24 C23A C27A 120.2(2) y
C24 C23A C23 132.7(2) y
C27A C23A C23 107.2(2) y
C24 C23A NI2 129.21(15) y
C27A C23A NI2 72.65(12) y
C23 C23A NI2 62.74(11) y
C25 C24 C23A 117.9(2) y
C25 C24 H24 121.1 ?
C23A C24 H24 121.1 ?
C24 C25 C26 122.0(2) y
C24 C25 H25 119 ?
C26 C25 H25 119 ?
C27 C26 C25 121.1(2) y
C27 C26 H26 119.5 ?
C25 C26 H26 119.5 ?
C26 C27 C27A 118.4(2) y
C26 C27 H27 120.8 ?
C27A C27 H27 120.8 ?
C27 C27A C23A 120.4(2) y
C27 C27A C21 132.5(2) y
C23A C27A C21 106.95(19) y
C27 C27A NI2 129.05(15) y
C23A C27A NI2 71.30(12) y
C21 C27A NI2 61.38(11) y
C21 C28 C29 107.0(2) y
C21 C28 H28A 110.3 ?
C29 C28 H28A 110.3 ?
C21 C28 H28B 110.3 ?
C29 C28 H28B 110.3 ?
H28A C28 H28B 108.6 ?
C210 C29 C28 110.7(2) y
C210 C29 H29A 109.5 ?
C28 C29 H29A 109.5 ?
C210 C29 H29B 109.5 ?
C28 C29 H29B 109.5 ?
H29A C29 H29B 108.1 ?
C211 C210 C29 124.8(3) y
C211 C210 NI2 68.96(14) y
C29 C210 NI2 108.58(17) y
C211 C210 H210 112.3(16) ?
C29 C210 H210 120.2(15) ?
NI2 C210 H210 106.8(15) ?
C210 C211 NI2 72.93(15) y
C210 C211 H21A 121.5(14) ?
NI2 C211 H21A 102.8(14) ?
C210 C211 H21B 121.7(13) ?
NI2 C211 H21B 110.3(14) ?
H21A C211 H21B 114(2) ?
C226 C221 C222 118.7(2) y
C226 C221 P2 122.43(16) y
C222 C221 P2 118.81(16) y
C223 C222 C221 119.7(2) y
C223 C222 H222 120.2 ?
C221 C222 H222 120.2 ?
C222 C223 C224 121.3(2) y
C222 C223 H223 119.4 ?
C224 C223 H223 119.4 ?
C225 C224 C223 119.3(2) y
C225 C224 H224 120.4 ?
C223 C224 H224 120.4 ?
C224 C225 C226 120.2(2) y
C224 C225 H225 119.9 ?
C226 C225 H225 119.9 ?
C221 C226 C225 120.8(2) y
C221 C226 H226 119.6 ?
C225 C226 H226 119.6 ?
C236 C231 C232 118.9(2) y
C236 C231 P2 121.62(17) y
C232 C231 P2 119.48(17) y
C233 C232 C231 120.2(2) y
C233 C232 H232 119.9 ?
C231 C232 H232 119.9 ?
C234 C233 C232 120.2(2) y
C234 C233 H233 119.9 ?
C232 C233 H233 119.9 ?
C235 C234 C233 119.9(2) y
C235 C234 H234 120.1 ?
C233 C234 H234 120.1 ?
C234 C235 C236 120.5(2) y
C234 C235 H235 119.8 ?
C236 C235 H235 119.8 ?
C235 C236 C231 120.3(2) y
C235 C236 H236 119.8 ?
C231 C236 H236 119.8 ?
C242 C241 C246 119.1(2) y
C242 C241 P2 123.43(17) y
C246 C241 P2 117.43(16) y
C241 C242 C243 119.4(2) y
C241 C242 H242 120.3 ?
C243 C242 H242 120.3 ?
C244 C243 C242 121.4(2) y
C244 C243 H243 119.3 ?
C242 C243 H243 119.3 ?
C243 C244 C245 119.2(2) y
C243 C244 H244 120.4 ?
C245 C244 H244 120.4 ?
C244 C245 C246 119.9(2) y
C244 C245 H245 120.1 ?
C246 C245 H245 120.1 ?
C245 C246 C241 121.0(2) y
C245 C246 H246 119.5 ?
C241 C246 H246 119.5 ?
C261 B2 C251 109.12(16) y
C261 B2 C271 111.14(17) y
C251 B2 C271 109.24(17) y
C261 B2 C281 110.02(16) y
C251 B2 C281 109.14(17) y
C271 B2 C281 108.14(16) y
C252 C251 C256 114.7(2) y
C252 C251 B2 123.84(19) y
C256 C251 B2 121.34(19) y
C251 C252 C253 123.3(2) y
C251 C252 H252 118.3 ?
C253 C252 H252 118.3 ?
C254 C253 C252 119.9(2) y
C254 C253 H253 120 ?
C252 C253 H253 120 ?
C253 C254 C255 118.8(2) y
C253 C254 H254 120.6 ?
C255 C254 H254 120.6 ?
C256 C255 C254 120.6(2) y
C256 C255 H255 119.7 ?
C254 C255 H255 119.7 ?
C255 C256 C251 122.7(2) y
C255 C256 H256 118.7 ?
C251 C256 H256 118.7 ?
C262 C261 C266 114.1(2) y
C262 C261 B2 123.22(19) y
C266 C261 B2 122.63(18) y
C263 C262 C261 122.5(2) y
C263 C262 H262 118.7 ?
C261 C262 H262 118.7 ?
C264 C263 C262 121.2(2) y
C264 C263 H263 119.4 ?
C262 C263 H263 119.4 ?
C263 C264 C265 118.7(2) y
C263 C264 H264 120.6 ?
C265 C264 H264 120.6 ?
C264 C265 C266 120.1(2) y
C264 C265 H265 120 ?
C266 C265 H265 120 ?
C265 C266 C261 123.4(2) y
C265 C266 H266 118.3 ?
C261 C266 H266 118.3 ?
C276 C271 C272 114.3(2) y
C276 C271 B2 120.70(19) y
C272 C271 B2 125.00(19) y
C271 C272 C273 122.9(2) y
C271 C272 H272 118.6 ?
C273 C272 H272 118.6 ?
C274 C273 C272 120.6(2) y
C274 C273 H273 119.7 ?
C272 C273 H273 119.7 ?
C273 C274 C275 118.3(2) y
C273 C274 H274 120.8 ?
C275 C274 H274 120.8 ?
C274 C275 C276 120.6(2) y
C274 C275 H275 119.7 ?
C276 C275 H275 119.7 ?
C275 C276 C271 123.3(2) y
C275 C276 H276 118.4 ?
C271 C276 H276 118.4 ?
C286 C281 C282 113.81(19) y
C286 C281 B2 124.67(19) y
C282 C281 B2 121.52(19) y
C283 C282 C281 123.4(2) y
C283 C282 H282 118.3 ?
C281 C282 H282 118.3 ?
C284 C283 C282 120.7(2) y
C284 C283 H283 119.7 ?
C282 C283 H283 119.7 ?
C283 C284 C285 118.2(2) y
C283 C284 H284 120.9 ?
C285 C284 H284 120.9 ?
C284 C285 C286 120.2(2) y
C284 C285 H285 119.9 ?
C286 C285 H285 119.9 ?
C285 C286 C281 123.7(2) y
C285 C286 H286 118.2 ?
C281 C286 H286 118.2 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Ni1 C12 2.069(2) y
Ni1 C13 2.073(2) y
Ni1 C11 2.0726(19) y
Ni1 C111 2.072(2) y
Ni1 C110 2.130(2) y
Ni1 P1 2.2276(6) y
Ni1 C13a 2.297(2) y
Ni1 C17a 2.330(2) y
P1 C121 1.817(2) y
P1 C131 1.823(2) y
P1 C141 1.827(2) y
C11 C12 1.427(3) y
C11 C17a 1.448(3) y
C11 C18 1.500(3) y
C12 C13 1.392(3) y
C12 H12 0.94 ?
C13 C13a 1.465(3) y
C13 H13 0.94 ?
C13a C14 1.387(3) y
C13a C17a 1.421(3) y
C14 C15 1.373(3) y
C14 H14 0.94 ?
C15 C16 1.406(3) y
C15 H15 0.94 ?
C16 C17 1.375(3) y
C16 H16 0.94 ?
C17 C17a 1.395(3) y
C17 H17 0.94 ?
C18 C19 1.522(3) y
C18 H18a 0.98 ?
C18 H18b 0.98 ?
C19 C110 1.511(3) y
C19 H19a 0.98 ?
C19 H19b 0.98 ?
C110 C111 1.356(3) y
C110 H110 0.944(9) ?
C111 H11a 0.946(9) ?
C111 H11b 0.931(9) ?
C121 C126 1.388(3) y
C121 C122 1.393(3) y
C122 C123 1.387(3) y
C122 H122 0.94 ?
C123 C124 1.386(4) y
C123 H123 0.94 ?
C124 C125 1.361(4) y
C124 H124 0.94 ?
C125 C126 1.389(3) y
C125 H125 0.94 ?
C126 H126 0.94 ?
C131 C136 1.382(3) y
C131 C132 1.394(3) y
C132 C133 1.386(3) y
C132 H132 0.94 ?
C133 C134 1.379(4) y
C133 H133 0.94 ?
C134 C135 1.371(4) y
C134 H134 0.94 ?
C135 C136 1.373(3) y
C135 H135 0.94 ?
C136 H136 0.94 ?
C141 C146 1.395(3) y
C141 C142 1.396(3) y
C142 C143 1.382(3) y
C142 H142 0.94 ?
C143 C144 1.369(3) y
C143 H143 0.94 ?
C144 C145 1.376(3) y
C144 H144 0.94 ?
C145 C146 1.385(3) y
C145 H145 0.94 ?
C146 H146 0.94 ?
B1 C181 1.649(3) y
B1 C151 1.651(3) y
B1 C161 1.655(3) y
B1 C171 1.664(3) y
C151 C156 1.392(3) y
C151 C152 1.410(3) y
C152 C153 1.380(3) y
C152 H152 0.94 ?
C153 C154 1.382(4) y
C153 H153 0.94 ?
C154 C155 1.369(4) y
C154 H154 0.94 ?
C155 C156 1.392(3) y
C155 H155 0.94 ?
C156 H156 0.94 ?
C161 C166 1.402(3) y
C161 C162 1.407(3) y
C162 C163 1.391(3) y
C162 H162 0.94 ?
C163 C164 1.374(4) y
C163 H163 0.94 ?
C164 C165 1.383(4) y
C164 H164 0.94 ?
C165 C166 1.389(3) y
C165 H165 0.94 ?
C166 H166 0.94 ?
C171 C176 1.393(3) y
C171 C172 1.401(3) y
C172 C173 1.395(3) y
C172 H172 0.94 ?
C173 C174 1.383(3) y
C173 H173 0.94 ?
C174 C175 1.367(3) y
C174 H174 0.94 ?
C175 C176 1.389(3) y
C175 H175 0.94 ?
C176 H176 0.94 ?
C181 C182 1.393(3) y
C181 C186 1.398(3) y
C182 C183 1.385(3) y
C182 H182 0.94 ?
C183 C184 1.386(3) y
C183 H183 0.94 ?
C184 C185 1.376(3) y
C184 H184 0.94 ?
C185 C186 1.386(3) y
C185 H185 0.94 ?
C186 H186 0.94 ?
Ni2 C21 2.060(2) y
Ni2 C22 2.065(2) y
Ni2 C211 2.069(2) y
Ni2 C23 2.080(2) y
Ni2 C210 2.119(2) y
Ni2 P2 2.2313(6) y
Ni2 C23a 2.293(2) y
Ni2 C27a 2.310(2) y
P2 C221 1.819(2) y
P2 C241 1.823(2) y
P2 C231 1.829(2) y
C21 C22 1.429(3) y
C21 C27a 1.466(3) y
C21 C28 1.494(3) y
C22 C23 1.386(3) y
C22 H22 0.94 ?
C23 C23a 1.464(3) y
C23 H23 0.94 ?
C23a C24 1.403(3) y
C23a C27a 1.424(3) y
C24 C25 1.383(3) y
C24 H24 0.94 ?
C25 C26 1.396(3) y
C25 H25 0.94 ?
C26 C27 1.377(3) y
C26 H26 0.94 ?
C27 C27a 1.403(3) y
C27 H27 0.94 ?
C28 C29 1.529(3) y
C28 H28a 0.98 ?
C28 H28b 0.98 ?
C29 C210 1.501(3) y
C29 H29a 0.98 ?
C29 H29b 0.98 ?
C210 C211 1.368(4) y
C210 H210 0.944(10) ?
C211 H21a 0.953(10) ?
C211 H21b 0.944(10) ?
C221 C226 1.382(3) y
C221 C222 1.399(3) y
C222 C223 1.375(3) y
C222 H222 0.94 ?
C223 C224 1.378(3) y
C223 H223 0.94 ?
C224 C225 1.372(3) y
C224 H224 0.94 ?
C225 C226 1.385(3) y
C225 H225 0.94 ?
C226 H226 0.94 ?
C231 C236 1.391(3) y
C231 C232 1.394(3) y
C232 C233 1.384(3) y
C232 H232 0.94 ?
C233 C234 1.381(4) y
C233 H233 0.94 ?
C234 C235 1.376(4) y
C234 H234 0.94 ?
C235 C236 1.381(3) y
C235 H235 0.94 ?
C236 H236 0.94 ?
C241 C242 1.377(3) y
C241 C246 1.384(3) y
C242 C243 1.383(3) y
C242 H242 0.94 ?
C243 C244 1.374(4) y
C243 H243 0.94 ?
C244 C245 1.374(3) y
C244 H244 0.94 ?
C245 C246 1.378(3) y
C245 H245 0.94 ?
C246 H246 0.94 ?
B2 C261 1.646(3) y
B2 C251 1.646(3) y
B2 C271 1.657(3) y
B2 C281 1.656(3) y
C251 C252 1.391(3) y
C251 C256 1.406(3) y
C252 C253 1.390(3) y
C252 H252 0.94 ?
C253 C254 1.374(3) y
C253 H253 0.94 ?
C254 C255 1.380(4) y
C254 H254 0.94 ?
C255 C256 1.379(3) y
C255 H255 0.94 ?
C256 H256 0.94 ?
C261 C262 1.403(3) y
C261 C266 1.409(3) y
C262 C263 1.389(3) y
C262 H262 0.94 ?
C263 C264 1.368(3) y
C263 H263 0.94 ?
C264 C265 1.376(3) y
C264 H264 0.94 ?
C265 C266 1.386(3) y
C265 H265 0.94 ?
C266 H266 0.94 ?
C271 C276 1.393(3) y
C271 C272 1.393(3) y
C272 C273 1.398(3) y
C272 H272 0.94 ?
C273 C274 1.367(3) y
C273 H273 0.94 ?
C274 C275 1.370(4) y
C274 H274 0.94 ?
C275 C276 1.386(3) y
C275 H275 0.94 ?
C276 H276 0.94 ?
C281 C286 1.395(3) y
C281 C282 1.402(3) y
C282 C283 1.382(3) y
C282 H282 0.94 ?
C283 C284 1.373(3) y
C283 H283 0.94 ?
C284 C285 1.381(3) y
C284 H284 0.94 ?
C285 C286 1.385(3) y
C285 H285 0.94 ?
C286 H286 0.94 ?
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_publ_flag
C12 NI1 P1 C121 158.38(11) y
C13 NI1 P1 C121 133.45(9) y
C11 NI1 P1 C121 94.5(3) y
C111 NI1 P1 C121 -40.06(10) y
C110 NI1 P1 C121 -75.74(10) y
C13A NI1 P1 C121 93.86(9) y
C17A NI1 P1 C121 68.7(1) y
C12 NI1 P1 C131 -81.79(12) y
C13 NI1 P1 C131 -106.73(10) y
C11 NI1 P1 C131 -145.7(2) y
C111 NI1 P1 C131 79.77(11) y
C110 NI1 P1 C131 44.08(11) y
C13A NI1 P1 C131 -146.31(9) y
C17A NI1 P1 C131 -171.48(10) y
C12 NI1 P1 C141 41.18(12) y
C13 NI1 P1 C141 16.25(10) y
C11 NI1 P1 C141 -22.7(3) y
C111 NI1 P1 C141 -157.26(10) y
C110 NI1 P1 C141 167.06(10) y
C13A NI1 P1 C141 -23.34(9) y
C17A NI1 P1 C141 -48.5(1) y
C13 NI1 C11 C12 37.19(12) y
C111 NI1 C11 C12 -145.90(14) y
C110 NI1 C11 C12 -109.91(14) y
P1 NI1 C11 C12 79.2(3) y
C13A NI1 C11 C12 79.88(13) y
C17A NI1 C11 C12 112.48(17) y
C12 NI1 C11 C17A -112.48(17) y
C13 NI1 C11 C17A -75.30(12) y
C111 NI1 C11 C17A 101.62(13) y
C110 NI1 C11 C17A 137.61(13) y
P1 NI1 C11 C17A -33.3(3) y
C13A NI1 C11 C17A -32.61(11) y
C12 NI1 C11 C18 121.1(2) y
C13 NI1 C11 C18 158.33(18) y
C111 NI1 C11 C18 -24.76(17) y
C110 NI1 C11 C18 11.23(16) y
P1 NI1 C11 C18 -159.66(17) y
C13A NI1 C11 C18 -158.98(18) y
C17A NI1 C11 C18 -126.4(2) y
C17A C11 C12 C13 12.3(2) y
C18 C11 C12 C13 -165.27(19) y
NI1 C11 C12 C13 -60.50(14) y
C17A C11 C12 NI1 72.85(14) y
C18 C11 C12 NI1 -104.8(2) y
C11 NI1 C12 C13 118.66(18) y
C111 NI1 C12 C13 161.96(13) y
C110 NI1 C12 C13 -171.80(13) y
P1 NI1 C12 C13 -40.66(16) y
C13A NI1 C12 C13 39.17(12) y
C17A NI1 C12 C13 79.24(13) y
C13 NI1 C12 C11 -118.66(18) y
C111 NI1 C12 C11 43.30(17) y
C110 NI1 C12 C11 69.54(14) y
P1 NI1 C12 C11 -159.31(10) y
C13A NI1 C12 C11 -79.49(13) y
C17A NI1 C12 C11 -39.41(12) y
C11 C12 C13 C13A -10.0(2) y
NI1 C12 C13 C13A -70.21(14) y
C11 C12 C13 NI1 60.17(14) y
C11 NI1 C13 C12 -38.14(12) y
C111 NI1 C13 C12 -47.1(3) y
C110 NI1 C13 C12 11.59(18) y
P1 NI1 C13 C12 151.89(11) y
C13A NI1 C13 C12 -114.83(17) y
C17A NI1 C13 C12 -79.90(13) y
C12 NI1 C13 C13A 114.83(17) y
C11 NI1 C13 C13A 76.69(12) y
C111 NI1 C13 C13A 67.7(3) y
C110 NI1 C13 C13A 126.42(14) y
P1 NI1 C13 C13A -93.29(11) y
C17A NI1 C13 C13A 34.93(11) y
C12 C13 C13A C14 -176.5(2) y
NI1 C13 C13A C14 119.0(2) y
C12 C13 C13A C17A 3.8(2) y
NI1 C13 C13A C17A -60.64(14) y
C12 C13 C13A NI1 64.44(14) y
C12 NI1 C13A C14 -164.0(2) y
C13 NI1 C13A C14 -124.3(2) y
C11 NI1 C13A C14 150.9(2) y
C111 NI1 C13A C14 80.5(2) y
C110 NI1 C13A C14 134.0(2) y
P1 NI1 C13A C14 -29.30(19) y
C17A NI1 C13A C14 116.4(2) y
C12 NI1 C13A C17A 79.52(13) y
C13 NI1 C13A C17A 119.23(17) y
C11 NI1 C13A C17A 34.44(12) y
C111 NI1 C13A C17A -35.90(16) y
C110 NI1 C13A C17A 17.6(2) y
P1 NI1 C13A C17A -145.73(11) y
C12 NI1 C13A C13 -39.71(12) y
C11 NI1 C13A C13 -84.79(13) y
C111 NI1 C13A C13 -155.13(13) y
C110 NI1 C13A C13 -101.68(17) y
P1 NI1 C13A C13 95.03(11) y
C17A NI1 C13A C13 -119.23(17) y
C17A C13A C14 C15 -3.7(3) y
C13 C13A C14 C15 176.7(2) y
NI1 C13A C14 C15 -96.9(2) y
C13A C14 C15 C16 1.2(3) y
C14 C15 C16 C17 2.7(4) y
C15 C16 C17 C17A -3.9(3) y
C16 C17 C17A C13A 1.3(3) y
C16 C17 C17A C11 179.3(2) y
C16 C17 C17A NI1 92.5(3) y
C14 C13A C17A C17 2.5(3) y
C13 C13A C17A C17 -177.74(18) y
NI1 C13A C17A C17 128.59(19) y
C14 C13A C17A C11 -175.87(18) y
C13 C13A C17A C11 3.8(2) y
NI1 C13A C17A C11 -49.83(13) y
C14 C13A C17A NI1 -126.05(19) y
C13 C13A C17A NI1 53.67(13) y
C12 C11 C17A C17 171.9(2) y
C18 C11 C17A C17 -10.5(4) y
NI1 C11 C17A C17 -122.9(2) y
C12 C11 C17A C13A -9.9(2) y
C18 C11 C17A C13A 167.64(19) y
NI1 C11 C17A C13A 55.29(14) y
C12 C11 C17A NI1 -65.23(13) y
C18 C11 C17A NI1 112.3(2) y
C12 NI1 C17A C17 163.8(2) y
C13 NI1 C17A C17 -151.9(2) y
C11 NI1 C17A C17 121.8(3) y
C111 NI1 C17A C17 39.0(2) y
C110 NI1 C17A C17 76.6(2) y
P1 NI1 C17A C17 -68.6(2) y
C13A NI1 C17A C17 -114.1(3) y
C12 NI1 C17A C13A -82.08(13) y
C13 NI1 C17A C13A -37.80(12) y
C11 NI1 C17A C13A -124.10(17) y
C111 NI1 C17A C13A 153.14(13) y
C110 NI1 C17A C13A -169.30(12) y
P1 NI1 C17A C13A 45.50(13) y
C12 NI1 C17A C11 42.02(12) y
C13 NI1 C17A C11 86.30(13) y
C111 NI1 C17A C11 -82.76(13) y
C110 NI1 C17A C11 -45.20(14) y
P1 NI1 C17A C11 169.61(10) y
C13A NI1 C17A C11 124.10(17) y
C12 C11 C18 C19 46.7(3) y
C17A C11 C18 C19 -130.4(2) y
NI1 C11 C18 C19 -34.4(2) y
C11 C18 C19 C110 47.8(3) y
C18 C19 C110 C111 37.7(3) y
C18 C19 C110 NI1 -38.6(2) y
C12 NI1 C110 C111 -143.75(15) y
C13 NI1 C110 C111 -151.11(14) y
C11 NI1 C110 C111 -106.02(15) y
P1 NI1 C110 C111 71.48(15) y
C13A NI1 C110 C111 -90.74(19) y
C17A NI1 C110 C111 -79.94(15) y
C12 NI1 C110 C19 -22.98(17) y
C13 NI1 C110 C19 -30.3(2) y
C11 NI1 C110 C19 14.76(16) y
C111 NI1 C110 C19 120.8(2) y
P1 NI1 C110 C19 -167.74(14) y
C13A NI1 C110 C19 30.0(2) y
C17A NI1 C110 C19 40.83(18) y
C19 C110 C111 NI1 -97.8(2) y
C12 NI1 C111 C110 46.04(18) y
C13 NI1 C111 C110 80.7(3) y
C11 NI1 C111 C110 72.42(15) y
P1 NI1 C111 C110 -118.05(13) y
C13A NI1 C111 C110 130.32(14) y
C17A NI1 C111 C110 109.97(14) y
C131 P1 C121 C126 22.4(2) y
C141 P1 C121 C126 -87.5(2) y
NI1 P1 C121 C126 147.90(18) y
C131 P1 C121 C122 -160.38(17) y
C141 P1 C121 C122 89.70(18) y
NI1 P1 C121 C122 -34.91(19) y
C126 C121 C122 C123 -0.5(3) y
P1 C121 C122 C123 -177.77(18) y
C121 C122 C123 C124 -0.3(4) y
C122 C123 C124 C125 1.2(4) y
C123 C124 C125 C126 -1.4(4) y
C122 C121 C126 C125 0.4(4) y
P1 C121 C126 C125 177.54(19) y
C124 C125 C126 C121 0.5(4) y
C121 P1 C131 C136 -115.15(19) y
C141 P1 C131 C136 -6.1(2) y
NI1 P1 C131 C136 122.53(17) y
C121 P1 C131 C132 67.86(19) y
C141 P1 C131 C132 176.87(17) y
NI1 P1 C131 C132 -54.46(19) y
C136 C131 C132 C133 0.2(3) y
P1 C131 C132 C133 177.35(18) y
C131 C132 C133 C134 -1.5(4) y
C132 C133 C134 C135 1.7(4) y
C133 C134 C135 C136 -0.6(4) y
C134 C135 C136 C131 -0.7(4) y
C132 C131 C136 C135 0.9(3) y
P1 C131 C136 C135 -176.11(18) y
C121 P1 C141 C146 177.59(16) y
C131 P1 C141 C146 66.95(18) y
NI1 P1 C141 C146 -61.44(18) y
C121 P1 C141 C142 -4.82(19) y
C131 P1 C141 C142 -115.46(18) y
NI1 P1 C141 C142 116.15(16) y
C146 C141 C142 C143 1.0(3) y
P1 C141 C142 C143 -176.66(17) y
C141 C142 C143 C144 -0.1(4) y
C142 C143 C144 C145 -1.0(4) y
C143 C144 C145 C146 1.3(4) y
C144 C145 C146 C141 -0.5(3) y
C142 C141 C146 C145 -0.7(3) y
P1 C141 C146 C145 177.02(16) y
C181 B1 C151 C156 118.8(2) y
C161 B1 C151 C156 -2.0(3) y
C171 B1 C151 C156 -122.2(2) y
C181 B1 C151 C152 -62.0(2) y
C161 B1 C151 C152 177.17(18) y
C171 B1 C151 C152 57.0(2) y
C156 C151 C152 C153 3.6(3) y
B1 C151 C152 C153 -175.7(2) y
C151 C152 C153 C154 0.0(4) y
C152 C153 C154 C155 -3.2(4) y
C153 C154 C155 C156 2.7(4) y
C154 C155 C156 C151 1.0(4) y
C152 C151 C156 C155 -4.1(3) y
B1 C151 C156 C155 175.1(2) y
C181 B1 C161 C166 9.6(3) y
C151 B1 C161 C166 130.5(2) y
C171 B1 C161 C166 -110.8(2) y
C181 B1 C161 C162 -170.85(19) y
C151 B1 C161 C162 -50.0(3) y
C171 B1 C161 C162 68.7(2) y
C166 C161 C162 C163 -0.4(3) y
B1 C161 C162 C163 -180.0(2) y
C161 C162 C163 C164 0.0(4) y
C162 C163 C164 C165 0.4(4) y
C163 C164 C165 C166 -0.3(4) y
C164 C165 C166 C161 -0.1(4) y
C162 C161 C166 C165 0.5(3) y
B1 C161 C166 C165 -179.9(2) y
C181 B1 C171 C176 38.0(3) y
C151 B1 C171 C176 -80.2(2) y
C161 B1 C171 C176 157.57(19) y
C181 B1 C171 C172 -144.2(2) y
C151 B1 C171 C172 97.5(2) y
C161 B1 C171 C172 -24.7(3) y
C176 C171 C172 C173 -1.2(3) y
B1 C171 C172 C173 -179.1(2) y
C171 C172 C173 C174 1.4(3) y
C172 C173 C174 C175 -0.3(3) y
C173 C174 C175 C176 -0.9(3) y
C174 C175 C176 C171 1.1(3) y
C172 C171 C176 C175 -0.1(3) y
B1 C171 C176 C175 177.92(19) y
C151 B1 C181 C182 161.89(19) y
C161 B1 C181 C182 -75.0(2) y
C171 B1 C181 C182 45.0(3) y
C151 B1 C181 C186 -23.2(3) y
C161 B1 C181 C186 99.9(2) y
C171 B1 C181 C186 -140.16(19) y
C186 C181 C182 C183 -0.6(3) y
B1 C181 C182 C183 174.7(2) y
C181 C182 C183 C184 0.8(4) y
C182 C183 C184 C185 -0.7(4) y
C183 C184 C185 C186 0.4(3) y
C184 C185 C186 C181 -0.2(3) y
C182 C181 C186 C185 0.3(3) y
B1 C181 C186 C185 -175.0(2) y
C21 NI2 P2 C221 -149.4(3) y
C22 NI2 P2 C221 -82.71(12) y
C211 NI2 P2 C221 80.32(11) y
C23 NI2 P2 C221 -107.01(10) y
C210 NI2 P2 C221 44.44(12) y
C23A NI2 P2 C221 -146.55(9) y
C27A NI2 P2 C221 -173.05(10) y
C21 NI2 P2 C241 90.7(3) y
C22 NI2 P2 C241 157.40(12) y
C211 NI2 P2 C241 -39.57(11) y
C23 NI2 P2 C241 133.1(1) y
C210 NI2 P2 C241 -75.45(12) y
C23A NI2 P2 C241 93.56(9) y
C27A NI2 P2 C241 67.05(10) y
C21 NI2 P2 C231 -25.3(3) y
C22 NI2 P2 C231 41.40(13) y
C211 NI2 P2 C231 -155.56(12) y
C23 NI2 P2 C231 17.11(10) y
C210 NI2 P2 C231 168.56(12) y
C23A NI2 P2 C231 -22.43(10) y
C27A NI2 P2 C231 -48.94(11) y
C211 NI2 C21 C22 -146.90(15) y
C23 NI2 C21 C22 36.77(13) y
C210 NI2 C21 C22 -110.40(15) y
P2 NI2 C21 C22 82.5(3) y
C23A NI2 C21 C22 79.37(14) y
C27A NI2 C21 C22 112.87(19) y
C22 NI2 C21 C27A -112.87(19) y
C211 NI2 C21 C27A 100.23(14) y
C23 NI2 C21 C27A -76.10(13) y
C210 NI2 C21 C27A 136.73(15) y
P2 NI2 C21 C27A -30.4(3) y
C23A NI2 C21 C27A -33.50(12) y
C22 NI2 C21 C28 121.1(2) y
C211 NI2 C21 C28 -25.84(19) y
C23 NI2 C21 C28 157.8(2) y
C210 NI2 C21 C28 10.65(19) y
P2 NI2 C21 C28 -156.43(19) y
C23A NI2 C21 C28 -159.6(2) y
C27A NI2 C21 C28 -126.1(2) y
C27A C21 C22 C23 11.3(2) y
C28 C21 C22 C23 -166.1(2) y
NI2 C21 C22 C23 -60.65(15) y
C27A C21 C22 NI2 71.97(14) y
C28 C21 C22 NI2 -105.4(2) y
C21 NI2 C22 C23 119.1(2) y
C211 NI2 C22 C23 161.33(15) y
C210 NI2 C22 C23 -171.81(15) y
P2 NI2 C22 C23 -39.62(17) y
C23A NI2 C22 C23 39.07(12) y
C27A NI2 C22 C23 79.31(14) y
C211 NI2 C22 C21 42.26(19) y
C23 NI2 C22 C21 -119.1(2) y
C210 NI2 C22 C21 69.12(15) y
P2 NI2 C22 C21 -158.69(11) y
C23A NI2 C22 C21 -80.00(14) y
C27A NI2 C22 C21 -39.76(13) y
C21 C22 C23 C23A -9.9(2) y
NI2 C22 C23 C23A -69.61(14) y
C21 C22 C23 NI2 59.71(15) y
C21 NI2 C23 C22 -38.11(14) y
C211 NI2 C23 C22 -48.8(3) y
C210 NI2 C23 C22 11.6(2) y
P2 NI2 C23 C22 152.76(12) y
C23A NI2 C23 C22 -115.11(19) y
C27A NI2 C23 C22 -80.68(14) y
C21 NI2 C23 C23A 77.00(13) y
C22 NI2 C23 C23A 115.11(19) y
C211 NI2 C23 C23A 66.3(3) y
C210 NI2 C23 C23A 126.70(16) y
P2 NI2 C23 C23A -92.14(12) y
C27A NI2 C23 C23A 34.42(12) y
C22 C23 C23A C24 -176.6(2) y
NI2 C23 C23A C24 119.5(2) y
C22 C23 C23A C27A 4.6(2) y
NI2 C23 C23A C27A -59.32(14) y
C22 C23 C23A NI2 63.90(15) y
C21 NI2 C23A C24 151.0(2) y
C22 NI2 C23A C24 -163.7(2) y
C211 NI2 C23A C24 80.1(2) y
C23 NI2 C23A C24 -124.3(3) y
C210 NI2 C23A C24 134.0(2) y
P2 NI2 C23A C24 -28.2(2) y
C27A NI2 C23A C24 115.1(3) y
C21 NI2 C23A C27A 35.86(13) y
C22 NI2 C23A C27A 81.15(14) y
C211 NI2 C23A C27A -35.00(18) y
C23 NI2 C23A C27A 120.57(18) y
C210 NI2 C23A C27A 18.9(2) y
P2 NI2 C23A C27A -143.31(12) y
C21 NI2 C23A C23 -84.71(14) y
C22 NI2 C23A C23 -39.43(13) y
C211 NI2 C23A C23 -155.57(14) y
C210 NI2 C23A C23 -101.7(2) y
P2 NI2 C23A C23 96.11(12) y
C27A NI2 C23A C23 -120.57(19) y
C27A C23A C24 C25 -0.9(3) y
C23 C23A C24 C25 -179.5(2) y
NI2 C23A C24 C25 -92.5(2) y
C23A C24 C25 C26 1.8(3) y
C24 C25 C26 C27 -1.1(4) y
C25 C26 C27 C27A -0.7(3) y
C26 C27 C27A C23A 1.6(3) y
C26 C27 C27A C21 176.1(2) y
C26 C27 C27A NI2 91.5(3) y
C24 C23A C27A C27 -0.8(3) y
C23 C23A C27A C27 178.15(19) y
NI2 C23A C27A C27 124.9(2) y
C24 C23A C27A C21 -176.58(19) y
C23 C23A C27A C21 2.4(2) y
NI2 C23A C27A C21 -50.82(14) y
C24 C23A C27A NI2 -125.76(19) y
C23 C23A C27A NI2 53.22(13) y
C22 C21 C27A C27 176.6(2) y
C28 C21 C27A C27 -6.0(4) y
NI2 C21 C27A C27 -118.3(2) y
C22 C21 C27A C23A -8.3(2) y
C28 C21 C27A C23A 169.0(2) y
NI2 C21 C27A C23A 56.76(15) y
C22 C21 C27A NI2 -65.09(14) y
C28 C21 C27A NI2 112.3(2) y
C21 NI2 C27A C27 123.2(3) y
C22 NI2 C27A C27 164.9(2) y
C211 NI2 C27A C27 39.3(2) y
C23 NI2 C27A C27 -151.4(2) y
C210 NI2 C27A C27 77.0(2) y
P2 NI2 C27A C27 -66.3(2) y
C23A NI2 C27A C27 -114.4(3) y
C21 NI2 C27A C23A -122.37(18) y
C22 NI2 C27A C23A -80.66(14) y
C211 NI2 C27A C23A 153.68(14) y
C23 NI2 C27A C23A -36.94(13) y
C210 NI2 C27A C23A -168.56(14) y
P2 NI2 C27A C23A 48.14(14) y
C22 NI2 C27A C21 41.70(13) y
C211 NI2 C27A C21 -83.95(15) y
C23 NI2 C27A C21 85.43(14) y
C210 NI2 C27A C21 -46.19(16) y
P2 NI2 C27A C21 170.50(11) y
C23A NI2 C27A C21 122.37(18) y
C22 C21 C28 C29 48.1(3) y
C27A C21 C28 C29 -128.8(2) y
NI2 C21 C28 C29 -33.5(2) y
C21 C28 C29 C210 46.9(3) y
C28 C29 C210 C211 38.5(4) y
C28 C29 C210 NI2 -38.4(3) y
C21 NI2 C210 C211 -105.76(17) y
C22 NI2 C210 C211 -143.59(17) y
C23 NI2 C210 C211 -150.92(16) y
P2 NI2 C210 C211 70.67(17) y
C23A NI2 C210 C211 -90.4(2) y
C27A NI2 C210 C211 -78.67(17) y
C21 NI2 C210 C29 15.26(19) y
C22 NI2 C210 C29 -22.6(2) y
C211 NI2 C210 C29 121.0(3) y
C23 NI2 C210 C29 -29.9(3) y
P2 NI2 C210 C29 -168.31(17) y
C23A NI2 C210 C29 30.7(3) y
C27A NI2 C210 C29 42.4(2) y
C29 C210 C211 NI2 -98.5(2) y
C21 NI2 C211 C210 72.60(17) y
C22 NI2 C211 C210 46.6(2) y
C23 NI2 C211 C210 82.4(3) y
P2 NI2 C211 C210 -118.74(15) y
C23A NI2 C211 C210 131.05(16) y
C27A NI2 C211 C210 111.08(17) y
C241 P2 C221 C226 -120.94(18) y
C231 P2 C221 C226 -11.7(2) y
NI2 P2 C221 C226 118.22(17) y
C241 P2 C221 C222 62.54(19) y
C231 P2 C221 C222 171.82(17) y
NI2 P2 C221 C222 -58.30(18) y
C226 C221 C222 C223 0.0(3) y
P2 C221 C222 C223 176.66(17) y
C221 C222 C223 C224 -1.3(3) y
C222 C223 C224 C225 1.4(4) y
C223 C224 C225 C226 -0.2(4) y
C222 C221 C226 C225 1.2(3) y
P2 C221 C226 C225 -175.37(17) y
C224 C225 C226 C221 -1.1(4) y
C221 P2 C231 C236 -113.55(18) y
C241 P2 C231 C236 -1.8(2) y
NI2 P2 C231 C236 117.07(17) y
C221 P2 C231 C232 68.28(19) y
C241 P2 C231 C232 -179.96(17) y
NI2 P2 C231 C232 -61.10(18) y
C236 C231 C232 C233 -0.8(3) y
P2 C231 C232 C233 177.43(17) y
C231 C232 C233 C234 -0.9(4) y
C232 C233 C234 C235 1.4(4) y
C233 C234 C235 C236 -0.4(4) y
C234 C235 C236 C231 -1.3(4) y
C232 C231 C236 C235 1.8(3) y
P2 C231 C236 C235 -176.33(18) y
C221 P2 C241 C242 14.6(2) y
C231 P2 C241 C242 -95.9(2) y
NI2 P2 C241 C242 139.9(2) y
C221 P2 C241 C246 -166.52(17) y
C231 P2 C241 C246 82.99(19) y
NI2 P2 C241 C246 -41.24(19) y
C246 C241 C242 C243 1.6(4) y
P2 C241 C242 C243 -179.5(2) y
C241 C242 C243 C244 -2.0(5) y
C242 C243 C244 C245 0.6(5) y
C243 C244 C245 C246 1.1(5) y
C244 C245 C246 C241 -1.4(4) y
C242 C241 C246 C245 0.1(4) y
P2 C241 C246 C245 -178.9(2) y
C261 B2 C251 C252 96.7(2) y
C271 B2 C251 C252 -25.0(3) y
C281 B2 C251 C252 -143.09(19) y
C261 B2 C251 C256 -78.6(2) y
C271 B2 C251 C256 159.74(19) y
C281 B2 C251 C256 41.7(3) y
C256 C251 C252 C253 1.0(3) y
B2 C251 C252 C253 -174.5(2) y
C251 C252 C253 C254 -0.4(3) y
C252 C253 C254 C255 -0.1(4) y
C253 C254 C255 C256 0.1(4) y
C254 C255 C256 C251 0.6(4) y
C252 C251 C256 C255 -1.1(3) y
B2 C251 C256 C255 174.6(2) y
C251 B2 C261 C262 8.9(3) y
C271 B2 C261 C262 129.4(2) y
C281 B2 C261 C262 -110.8(2) y
C251 B2 C261 C266 -173.11(18) y
C271 B2 C261 C266 -52.6(2) y
C281 B2 C261 C266 67.2(2) y
C266 C261 C262 C263 -1.0(3) y
B2 C261 C262 C263 177.1(2) y
C261 C262 C263 C264 0.1(3) y
C262 C263 C264 C265 0.5(3) y
C263 C264 C265 C266 -0.3(3) y
C264 C265 C266 C261 -0.7(3) y
C262 C261 C266 C265 1.3(3) y
B2 C261 C266 C265 -176.84(19) y
C261 B2 C271 C276 172.14(19) y
C251 B2 C271 C276 -67.4(2) y
C281 B2 C271 C276 51.3(3) y
C261 B2 C271 C272 -9.5(3) y
C251 B2 C271 C272 110.9(2) y
C281 B2 C271 C272 -130.4(2) y
C276 C271 C272 C273 -0.9(3) y
B2 C271 C272 C273 -179.4(2) y
C271 C272 C273 C274 -0.1(4) y
C272 C273 C274 C275 1.1(4) y
C273 C274 C275 C276 -1.0(4) y
C274 C275 C276 C271 -0.1(4) y
C272 C271 C276 C275 1.0(3) y
B2 C271 C276 C275 179.5(2) y
C261 B2 C281 C286 -22.7(3) y
C251 B2 C281 C286 -142.4(2) y
C271 B2 C281 C286 98.9(2) y
C261 B2 C281 C282 158.27(19) y
C251 B2 C281 C282 38.6(3) y
C271 B2 C281 C282 -80.2(2) y
C286 C281 C282 C283 -0.6(3) y
B2 C281 C282 C283 178.5(2) y
C281 C282 C283 C284 1.2(4) y
C282 C283 C284 C285 -0.9(4) y
C283 C284 C285 C286 0.2(4) y
C284 C285 C286 C281 0.4(4) y
C282 C281 C286 C285 -0.2(3) y
B2 C281 C286 C285 -179.2(2) y
