#------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: svn://www.crystallography.net/cod/cif/2/01/69/2016967.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2016967
loop_
_publ_author_name
'Li, Lidong'
'Gomes, Clara S. B.'
'Figueira, Cláudia A.'
'Gomes, Pedro T.'
'Duarte, M. Teresa'
_publ_section_title
;
 trans-Chlorido(phenyl)bis(triphenylphosphine)nickel(II) and its
 1:1 cocrystal with chloridobis(triphenylphosphine)nickel(I)
;
_journal_coeditor_code           GD3267
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m110
_journal_page_last               m114
_journal_paper_doi               10.1107/S0108270109002492
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac
'[Ni (C6 H5) Cl (C18 H15 P)2] , [Ni Cl (C18 H15 P)2]'
_chemical_formula_moiety         'C42 H35 Cl Ni P2 , C36 H30 Cl Ni P2'
_chemical_formula_sum            'C78 H65 Cl2 Ni2 P4'
_chemical_formula_weight         1314.50
_chemical_name_systematic
;
trans-chlorido(phenyl)bis(triphenylphosphine)nickel(II)--
chloridobis(triphenylphosphine)nickel(I) (1/1)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 113.781(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   24.183(6)
_cell_length_b                   12.257(3)
_cell_length_c                   23.712(5)
_cell_measurement_reflns_used    6984
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      25.70
_cell_measurement_theta_min      2.37
_cell_volume                     6432(3)
_computing_cell_refinement       'SMART (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT (Bruker, 2004)'
_computing_molecular_graphics
'ORTEP-3 (Farrugia, 1997) and Mercury (Macrae et al.,  2006)'
_computing_publication_material
'enCIFer (Allen et al.,  2004) and WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR2004 (Burla et al.,  2005)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       'φ and ω'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0778
_diffrn_reflns_av_sigmaI/netI    0.0488
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            109681
_diffrn_reflns_theta_full        26.94
_diffrn_reflns_theta_max         26.94
_diffrn_reflns_theta_min         2.40
_exptl_absorpt_coefficient_mu    0.813
_exptl_absorpt_correction_T_max  0.9453
_exptl_absorpt_correction_T_min  0.8351
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.357
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2732
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.426
_refine_diff_density_min         -0.502
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     775
_refine_ls_number_reflns         13903
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0648
_refine_ls_R_factor_gt           0.0379
_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)+(0.0427P)²+1.0369P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0848
_refine_ls_wR_factor_ref         0.0926
_reflns_number_gt                10162
_reflns_number_total             13903
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            gd3267.cif
_cod_data_source_block           2
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2016967
_cod_database_fobs_code          2016967
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ni Ni 0.117497(13) 0.26358(2) 0.326312(13) 0.01769(7) Uani d . 1 . .
Ni Ni1 0.362867(13) -0.18707(2) 0.637873(13) 0.01907(8) Uani d . 1 . .
P P1 0.09365(3) 0.25357(4) 0.40700(3) 0.01779(12) Uani d . 1 . .
P P2 0.14279(3) 0.28251(4) 0.24711(3) 0.01821(13) Uani d . 1 . .
P P11 0.40688(3) -0.04026(5) 0.69177(3) 0.02100(13) Uani d . 1 . .
P P21 0.39781(3) -0.23344(5) 0.56815(3) 0.02028(13) Uani d . 1 . .
Cl Cl 0.21572(3) 0.25632(4) 0.38879(3) 0.02513(13) Uani d . 1 . .
Cl Cl1 0.28231(3) -0.25962(4) 0.63957(3) 0.02797(13) Uani d . 1 . .
C C11 0.11791(10) 0.12969(17) 0.45316(10) 0.0209(5) Uani d . 1 . .
C C12 0.09906(11) 0.10726(19) 0.50079(10) 0.0270(5) Uani d . 1 . .
H H12 0.0737 0.1558 0.5091 0.032 Uiso calc R 1 . .
C C13 0.11805(11) 0.0134(2) 0.53524(11) 0.0322(6) Uani d . 1 . .
H H13 0.1057 -0.0006 0.5670 0.039 Uiso calc R 1 . .
C C14 0.15500(12) -0.0596(2) 0.52323(12) 0.0340(6) Uani d . 1 . .
H H14 0.1680 -0.1223 0.5471 0.041 Uiso calc R 1 . .
C C15 0.17276(11) -0.04003(19) 0.47597(12) 0.0328(6) Uani d . 1 . .
H H15 0.1973 -0.0901 0.4676 0.039 Uiso calc R 1 . .
C C16 0.15431(10) 0.05394(17) 0.44061(11) 0.0245(5) Uani d . 1 . .
H H16 0.1663 0.0663 0.4085 0.029 Uiso calc R 1 . .
C C21 0.12747(10) 0.37008(18) 0.45698(10) 0.0216(5) Uani d . 1 . .
C C22 0.15000(11) 0.3688(2) 0.52082(11) 0.0293(6) Uani d . 1 . .
H H22 0.1503 0.3042 0.5415 0.035 Uiso calc R 1 . .
C C23 0.17202(11) 0.4643(2) 0.55364(12) 0.0356(6) Uani d . 1 . .
H H23 0.1879 0.4627 0.5965 0.043 Uiso calc R 1 . .
C C24 0.17082(12) 0.5607(2) 0.52412(13) 0.0395(7) Uani d . 1 . .
H H24 0.1853 0.6242 0.5467 0.047 Uiso calc R 1 . .
C C25 0.14800(13) 0.5633(2) 0.46051(13) 0.0416(7) Uani d . 1 . .
H H25 0.1466 0.6286 0.4401 0.050 Uiso calc R 1 . .
C C26 0.12731(12) 0.46819(19) 0.42755(12) 0.0332(6) Uani d . 1 . .
H H26 0.1130 0.4698 0.3848 0.040 Uiso calc R 1 . .
C C31 0.01467(10) 0.26363(17) 0.39578(10) 0.0208(5) Uani d . 1 . .
C C32 -0.00979(11) 0.35609(19) 0.41053(11) 0.0276(5) Uani d . 1 . .
H H32 0.0148 0.4158 0.4284 0.033 Uiso calc R 1 . .
C C33 -0.07066(12) 0.3599(2) 0.39877(12) 0.0350(6) Uani d . 1 . .
H H33 -0.0867 0.4222 0.4088 0.042 Uiso calc R 1 . .
C C34 -0.10758(11) 0.2723(2) 0.37232(12) 0.0352(6) Uani d . 1 . .
H H34 -0.1483 0.2750 0.3650 0.042 Uiso calc R 1 . .
C C35 -0.08396(11) 0.1804(2) 0.35674(12) 0.0363(6) Uani d . 1 . .
H H35 -0.1090 0.1217 0.3380 0.044 Uiso calc R 1 . .
C C36 -0.02297(11) 0.17577(19) 0.36906(11) 0.0289(5) Uani d . 1 . .
H H36 -0.0070 0.1130 0.3593 0.035 Uiso calc R 1 . .
C C41 0.18937(10) 0.16818(17) 0.24425(10) 0.0210(5) Uani d . 1 . .
C C42 0.24121(11) 0.17443(19) 0.23298(11) 0.0270(5) Uani d . 1 . .
H H42 0.2576 0.2420 0.2306 0.032 Uiso calc R 1 . .
C C43 0.26848(11) 0.0792(2) 0.22527(11) 0.0331(6) Uani d . 1 . .
H H43 0.3037 0.0834 0.2185 0.040 Uiso calc R 1 . .
C C44 0.24415(11) -0.02119(19) 0.22745(10) 0.0299(6) Uani d . 1 . .
H H44 0.2618 -0.0842 0.2204 0.036 Uiso calc R 1 . .
C C45 0.19351(11) -0.02834(18) 0.24012(11) 0.0284(5) Uani d . 1 . .
H H45 0.1775 -0.0962 0.2427 0.034 Uiso calc R 1 . .
C C46 0.16652(11) 0.06549(18) 0.24900(11) 0.0265(5) Uani d . 1 . .
H H46 0.1327 0.0603 0.2583 0.032 Uiso calc R 1 . .
C C51 0.18329(10) 0.40862(17) 0.24939(10) 0.0206(5) Uani d . 1 . .
C C52 0.19796(11) 0.43998(18) 0.20055(11) 0.0249(5) Uani d . 1 . .
H H52 0.1883 0.3946 0.1665 0.030 Uiso calc R 1 . .
C C53 0.22673(11) 0.53807(19) 0.20250(12) 0.0288(6) Uani d . 1 . .
H H53 0.2369 0.5578 0.1700 0.035 Uiso calc R 1 . .
C C54 0.24047(11) 0.6069(2) 0.25211(12) 0.0347(6) Uani d . 1 . .
H H54 0.2597 0.6730 0.2530 0.042 Uiso calc R 1 . .
C C55 0.22578(12) 0.57785(19) 0.30061(12) 0.0352(6) Uani d . 1 . .
H H55 0.2349 0.6247 0.3340 0.042 Uiso calc R 1 . .
C C56 0.19748(11) 0.47912(18) 0.29965(11) 0.0291(6) Uani d . 1 . .
H H56 0.1879 0.4597 0.3326 0.035 Uiso calc R 1 . .
C C61 0.08400(10) 0.28269(17) 0.16862(10) 0.0208(5) Uani d . 1 . .
C C62 0.04638(11) 0.37295(18) 0.14884(11) 0.0280(5) Uani d . 1 . .
H H62 0.0542 0.4343 0.1739 0.034 Uiso calc R 1 . .
C C63 -0.00254(12) 0.3731(2) 0.09238(11) 0.0351(6) Uani d . 1 . .
H H63 -0.0272 0.4343 0.0799 0.042 Uiso calc R 1 . .
C C64 -0.01488(12) 0.2827(2) 0.05458(11) 0.0320(6) Uani d . 1 . .
H H64 -0.0479 0.2825 0.0168 0.038 Uiso calc R 1 . .
C C65 0.02186(12) 0.1935(2) 0.07319(11) 0.0319(6) Uani d . 1 . .
H H65 0.0137 0.1325 0.0478 0.038 Uiso calc R 1 . .
C C66 0.07101(12) 0.19296(19) 0.12936(11) 0.0289(6) Uani d . 1 . .
H H66 0.0958 0.1317 0.1411 0.035 Uiso calc R 1 . .
C C71 0.03453(10) 0.26810(18) 0.27256(10) 0.0229(5) Uani d . 1 . .
C C72 0.00099(12) 0.3635(2) 0.26125(12) 0.0351(6) Uani d . 1 . .
H H72 0.0194 0.4276 0.2810 0.042 Uiso calc R 1 . .
C C73 -0.05955(13) 0.3653(3) 0.22103(13) 0.0496(8) Uani d . 1 . .
H H73 -0.0807 0.4308 0.2131 0.060 Uiso calc R 1 . .
C C74 -0.08807(14) 0.2726(3) 0.19324(15) 0.0594(9) Uani d . 1 . .
H H74 -0.1289 0.2738 0.1671 0.071 Uiso calc R 1 . .
C C75 -0.05638(14) 0.1778(3) 0.20398(15) 0.0605(9) Uani d . 1 . .
H H75 -0.0756 0.1139 0.1850 0.073 Uiso calc R 1 . .
C C76 0.00459(12) 0.1756(2) 0.24302(13) 0.0412(7) Uani d . 1 . .
H H76 0.0256 0.1101 0.2493 0.049 Uiso calc R 1 . .
C C111 0.40649(12) -0.05068(19) 0.76847(11) 0.0316(6) Uani d . 1 . .
C C112 0.37942(13) 0.0259(2) 0.79205(12) 0.0421(7) Uani d . 1 . .
H H112 0.3600 0.0859 0.7683 0.051 Uiso calc R 1 . .
C C113 0.38117(17) 0.0135(3) 0.85107(15) 0.0645(11) Uani d . 1 . .
H H113 0.3632 0.0655 0.8668 0.077 Uiso calc R 1 . .
C C114 0.4091(2) -0.0743(3) 0.88568(15) 0.0816(15) Uani d . 1 . .
H H114 0.4106 -0.0818 0.9253 0.098 Uiso calc R 1 . .
C C115 0.4349(2) -0.1516(3) 0.86277(14) 0.0820(14) Uani d . 1 . .
H H115 0.4537 -0.2118 0.8867 0.098 Uiso calc R 1 . .
C C116 0.43339(16) -0.1409(2) 0.80401(12) 0.0541(9) Uani d . 1 . .
H H116 0.4505 -0.1946 0.7884 0.065 Uiso calc R 1 . .
C C221 0.36532(10) 0.08452(17) 0.65897(10) 0.0213(5) Uani d . 1 . .
C C222 0.30600(11) 0.07743(19) 0.61591(11) 0.0267(5) Uani d . 1 . .
H H222 0.2875 0.0095 0.6054 0.032 Uiso calc R 1 . .
C C223 0.27415(12) 0.1701(2) 0.58849(12) 0.0339(6) Uani d . 1 . .
H H223 0.2343 0.1645 0.5601 0.041 Uiso calc R 1 . .
C C224 0.30123(12) 0.2707(2) 0.60308(13) 0.0365(6) Uani d . 1 . .
H H224 0.2798 0.3330 0.5842 0.044 Uiso calc R 1 . .
C C225 0.36016(12) 0.2794(2) 0.64569(13) 0.0385(7) Uani d . 1 . .
H H225 0.3783 0.3477 0.6557 0.046 Uiso calc R 1 . .
C C226 0.39229(11) 0.18719(18) 0.67360(11) 0.0294(6) Uani d . 1 . .
H H226 0.4320 0.1935 0.7022 0.035 Uiso calc R 1 . .
C C331 0.48362(10) 0.00358(17) 0.70755(11) 0.0257(5) Uani d . 1 . .
C C332 0.52756(12) 0.02189(19) 0.76641(13) 0.0377(7) Uani d . 1 . .
H H332 0.5191 0.0068 0.8005 0.045 Uiso calc R 1 . .
C C333 0.58376(13) 0.0624(2) 0.77480(17) 0.0536(9) Uani d . 1 . .
H H333 0.6128 0.0748 0.8144 0.064 Uiso calc R 1 . .
C C334 0.59658(13) 0.0841(2) 0.72459(19) 0.0586(10) Uani d . 1 . .
H H334 0.6342 0.1123 0.7304 0.070 Uiso calc R 1 . .
C C335 0.55403(14) 0.0644(2) 0.66519(17) 0.0496(8) Uani d . 1 . .
H H335 0.5634 0.0779 0.6314 0.060 Uiso calc R 1 . .
C C336 0.49760(12) 0.02473(19) 0.65661(13) 0.0357(6) Uani d . 1 . .
H H336 0.4689 0.0120 0.6169 0.043 Uiso calc R 1 . .
C C441 0.38296(11) -0.37529(17) 0.54246(10) 0.0233(5) Uani d . 1 . .
C C442 0.42815(12) -0.44863(18) 0.54818(11) 0.0298(6) Uani d . 1 . .
H H442 0.4684 -0.4270 0.5661 0.036 Uiso calc R 1 . .
C C443 0.41346(14) -0.5548(2) 0.52710(13) 0.0404(7) Uani d . 1 . .
H H443 0.4441 -0.6043 0.5314 0.048 Uiso calc R 1 . .
C C444 0.35407(14) -0.5877(2) 0.49995(13) 0.0399(7) Uani d . 1 . .
H H444 0.3446 -0.6584 0.4849 0.048 Uiso calc R 1 . .
C C445 0.30892(13) -0.5161(2) 0.49509(12) 0.0380(6) Uani d . 1 . .
H H445 0.2688 -0.5383 0.4771 0.046 Uiso calc R 1 . .
C C446 0.32313(12) -0.4105(2) 0.51701(12) 0.0324(6) Uani d . 1 . .
H H446 0.2924 -0.3627 0.5147 0.039 Uiso calc R 1 . .
C C551 0.35740(10) -0.15455(18) 0.49785(10) 0.0217(5) Uani d . 1 . .
C C552 0.33789(12) -0.1961(2) 0.43820(11) 0.0338(6) Uani d . 1 . .
H H552 0.3458 -0.2684 0.4321 0.041 Uiso calc R 1 . .
C C553 0.30681(14) -0.1303(2) 0.38805(12) 0.0417(7) Uani d . 1 . .
H H553 0.2944 -0.1585 0.3484 0.050 Uiso calc R 1 . .
C C554 0.29394(12) -0.0234(2) 0.39605(12) 0.0343(6) Uani d . 1 . .
H H554 0.2726 0.0201 0.3621 0.041 Uiso calc R 1 . .
C C555 0.31295(11) 0.01847(19) 0.45484(11) 0.0288(6) Uani d . 1 . .
H H555 0.3045 0.0906 0.4606 0.035 Uiso calc R 1 . .
C C556 0.34455(10) -0.04684(18) 0.50520(11) 0.0237(5) Uani d . 1 . .
H H556 0.3574 -0.0178 0.5447 0.028 Uiso calc R 1 . .
C C661 0.47717(11) -0.21517(18) 0.58341(11) 0.0252(5) Uani d . 1 . .
C C662 0.51970(11) -0.23035(19) 0.64320(12) 0.0311(6) Uani d . 1 . .
H H662 0.5072 -0.2511 0.6739 0.037 Uiso calc R 1 . .
C C663 0.58058(12) -0.2148(2) 0.65742(14) 0.0426(7) Uani d . 1 . .
H H663 0.6087 -0.2242 0.6977 0.051 Uiso calc R 1 . .
C C664 0.59966(13) -0.1853(2) 0.61207(15) 0.0482(8) Uani d . 1 . .
H H664 0.6406 -0.1756 0.6215 0.058 Uiso calc R 1 . .
C C665 0.55763(14) -0.1704(2) 0.55280(15) 0.0502(8) Uani d . 1 . .
H H665 0.5704 -0.1504 0.5222 0.060 Uiso calc R 1 . .
C C666 0.49686(13) -0.1846(2) 0.53803(13) 0.0372(6) Uani d . 1 . .
H H666 0.4690 -0.1738 0.4977 0.045 Uiso calc R 1 . .
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C71 Ni P2 . . 90.35(7) ?
C71 Ni P1 . . 90.50(7) ?
P2 Ni P1 . . 177.00(2) ?
C71 Ni Cl . . 179.09(7) ?
P2 Ni Cl . . 89.03(3) ?
P1 Ni Cl . . 90.14(3) ?
Cl1 Ni1 P21 . . 121.87(3) ?
Cl1 Ni1 P11 . . 123.48(3) ?
P21 Ni1 P11 . . 113.60(3) ?
C31 P1 C11 . . 102.02(10) ?
C31 P1 C21 . . 102.15(10) ?
C11 P1 C21 . . 108.06(10) ?
C31 P1 Ni . . 119.54(7) ?
C11 P1 Ni . . 115.59(7) ?
C21 P1 Ni . . 108.26(7) ?
C41 P2 C51 . . 108.79(10) ?
C41 P2 C61 . . 101.66(10) ?
C51 P2 C61 . . 102.54(10) ?
C41 P2 Ni . . 109.83(7) ?
C51 P2 Ni . . 113.22(7) ?
C61 P2 Ni . . 119.78(7) ?
C331 P11 C221 . . 100.42(10) ?
C331 P11 C111 . . 103.30(11) ?
C221 P11 C111 . . 105.07(11) ?
C331 P11 Ni1 . . 124.84(8) ?
C221 P11 Ni1 . . 112.42(8) ?
C111 P11 Ni1 . . 108.87(7) ?
C661 P21 C441 . . 103.48(11) ?
C661 P21 C551 . . 104.42(11) ?
C441 P21 C551 . . 103.74(10) ?
C661 P21 Ni1 . . 120.68(8) ?
C441 P21 Ni1 . . 114.21(7) ?
C551 P21 Ni1 . . 108.67(7) ?
C16 C11 C12 . . 118.7(2) ?
C16 C11 P1 . . 120.33(16) ?
C12 C11 P1 . . 120.99(17) ?
C13 C12 C11 . . 120.1(2) ?
C13 C12 H12 . . 120.0 ?
C11 C12 H12 . . 120.0 ?
C14 C13 C12 . . 120.7(2) ?
C14 C13 H13 . . 119.7 ?
C12 C13 H13 . . 119.7 ?
C15 C14 C13 . . 119.9(2) ?
C15 C14 H14 . . 120.0 ?
C13 C14 H14 . . 120.0 ?
C14 C15 C16 . . 120.5(2) ?
C14 C15 H15 . . 119.7 ?
C16 C15 H15 . . 119.7 ?
C15 C16 C11 . . 120.1(2) ?
C15 C16 H16 . . 120.0 ?
C11 C16 H16 . . 120.0 ?
C22 C21 C26 . . 118.6(2) ?
C22 C21 P1 . . 125.17(18) ?
C26 C21 P1 . . 116.18(17) ?
C21 C22 C23 . . 119.7(2) ?
C21 C22 H22 . . 120.1 ?
C23 C22 H22 . . 120.1 ?
C24 C23 C22 . . 121.2(2) ?
C24 C23 H23 . . 119.4 ?
C22 C23 H23 . . 119.4 ?
C23 C24 C25 . . 119.7(2) ?
C23 C24 H24 . . 120.2 ?
C25 C24 H24 . . 120.2 ?
C26 C25 C24 . . 119.6(2) ?
C26 C25 H25 . . 120.2 ?
C24 C25 H25 . . 120.2 ?
C25 C26 C21 . . 121.3(2) ?
C25 C26 H26 . . 119.4 ?
C21 C26 H26 . . 119.4 ?
C32 C31 C36 . . 118.8(2) ?
C32 C31 P1 . . 123.14(18) ?
C36 C31 P1 . . 118.03(17) ?
C33 C32 C31 . . 120.3(2) ?
C33 C32 H32 . . 119.9 ?
C31 C32 H32 . . 119.9 ?
C34 C33 C32 . . 120.5(2) ?
C34 C33 H33 . . 119.8 ?
C32 C33 H33 . . 119.8 ?
C33 C34 C35 . . 119.8(2) ?
C33 C34 H34 . . 120.1 ?
C35 C34 H34 . . 120.1 ?
C34 C35 C36 . . 119.9(2) ?
C34 C35 H35 . . 120.1 ?
C36 C35 H35 . . 120.1 ?
C35 C36 C31 . . 120.8(2) ?
C35 C36 H36 . . 119.6 ?
C31 C36 H36 . . 119.6 ?
C42 C41 C46 . . 118.9(2) ?
C42 C41 P2 . . 125.99(17) ?
C46 C41 P2 . . 114.87(17) ?
C41 C42 C43 . . 119.6(2) ?
C41 C42 H42 . . 120.2 ?
C43 C42 H42 . . 120.2 ?
C44 C43 C42 . . 121.0(2) ?
C44 C43 H43 . . 119.5 ?
C42 C43 H43 . . 119.5 ?
C43 C44 C45 . . 119.8(2) ?
C43 C44 H44 . . 120.1 ?
C45 C44 H44 . . 120.1 ?
C44 C45 C46 . . 119.8(2) ?
C44 C45 H45 . . 120.1 ?
C46 C45 H45 . . 120.1 ?
C45 C46 C41 . . 120.8(2) ?
C45 C46 H46 . . 119.6 ?
C41 C46 H46 . . 119.6 ?
C52 C51 C56 . . 118.7(2) ?
C52 C51 P2 . . 121.58(17) ?
C56 C51 P2 . . 119.64(17) ?
C53 C52 C51 . . 120.4(2) ?
C53 C52 H52 . . 119.8 ?
C51 C52 H52 . . 119.8 ?
C54 C53 C52 . . 120.5(2) ?
C54 C53 H53 . . 119.7 ?
C52 C53 H53 . . 119.7 ?
C53 C54 C55 . . 120.0(2) ?
C53 C54 H54 . . 120.0 ?
C55 C54 H54 . . 120.0 ?
C54 C55 C56 . . 120.2(2) ?
C54 C55 H55 . . 119.9 ?
C56 C55 H55 . . 119.9 ?
C55 C56 C51 . . 120.2(2) ?
C55 C56 H56 . . 119.9 ?
C51 C56 H56 . . 119.9 ?
C62 C61 C66 . . 117.6(2) ?
C62 C61 P2 . . 118.62(17) ?
C66 C61 P2 . . 123.51(17) ?
C63 C62 C61 . . 121.1(2) ?
C63 C62 H62 . . 119.5 ?
C61 C62 H62 . . 119.5 ?
C64 C63 C62 . . 120.3(2) ?
C64 C63 H63 . . 119.9 ?
C62 C63 H63 . . 119.9 ?
C65 C64 C63 . . 119.4(2) ?
C65 C64 H64 . . 120.3 ?
C63 C64 H64 . . 120.3 ?
C64 C65 C66 . . 120.7(2) ?
C64 C65 H65 . . 119.7 ?
C66 C65 H65 . . 119.7 ?
C65 C66 C61 . . 121.0(2) ?
C65 C66 H66 . . 119.5 ?
C61 C66 H66 . . 119.5 ?
C76 C71 C72 . . 116.8(2) ?
C76 C71 Ni . . 121.05(18) ?
C72 C71 Ni . . 122.19(18) ?
C71 C72 C73 . . 121.2(3) ?
C71 C72 H72 . . 119.4 ?
C73 C72 H72 . . 119.4 ?
C74 C73 C72 . . 120.7(3) ?
C74 C73 H73 . . 119.7 ?
C72 C73 H73 . . 119.7 ?
C73 C74 C75 . . 119.2(3) ?
C73 C74 H74 . . 120.4 ?
C75 C74 H74 . . 120.4 ?
C74 C75 C76 . . 120.6(3) ?
C74 C75 H75 . . 119.7 ?
C76 C75 H75 . . 119.7 ?
C71 C76 C75 . . 121.5(3) ?
C71 C76 H76 . . 119.2 ?
C75 C76 H76 . . 119.2 ?
C116 C111 C112 . . 118.6(2) ?
C116 C111 P11 . . 118.2(2) ?
C112 C111 P11 . . 123.2(2) ?
C111 C112 C113 . . 120.3(3) ?
C111 C112 H112 . . 119.8 ?
C113 C112 H112 . . 119.8 ?
C114 C113 C112 . . 120.0(3) ?
C114 C113 H113 . . 120.0 ?
C112 C113 H113 . . 120.0 ?
C113 C114 C115 . . 120.4(3) ?
C113 C114 H114 . . 119.8 ?
C115 C114 H114 . . 119.8 ?
C114 C115 C116 . . 120.3(3) ?
C114 C115 H115 . . 119.8 ?
C116 C115 H115 . . 119.8 ?
C111 C116 C115 . . 120.2(3) ?
C111 C116 H116 . . 119.9 ?
C115 C116 H116 . . 119.9 ?
C222 C221 C226 . . 118.7(2) ?
C222 C221 P11 . . 119.32(17) ?
C226 C221 P11 . . 121.91(18) ?
C223 C222 C221 . . 120.7(2) ?
C223 C222 H222 . . 119.7 ?
C221 C222 H222 . . 119.7 ?
C224 C223 C222 . . 120.1(2) ?
C224 C223 H223 . . 119.9 ?
C222 C223 H223 . . 119.9 ?
C223 C224 C225 . . 120.1(2) ?
C223 C224 H224 . . 120.0 ?
C225 C224 H224 . . 120.0 ?
C224 C225 C226 . . 120.2(2) ?
C224 C225 H225 . . 119.9 ?
C226 C225 H225 . . 119.9 ?
C225 C226 C221 . . 120.2(2) ?
C225 C226 H226 . . 119.9 ?
C221 C226 H226 . . 119.9 ?
C332 C331 C336 . . 118.8(2) ?
C332 C331 P11 . . 123.9(2) ?
C336 C331 P11 . . 117.20(19) ?
C333 C332 C331 . . 120.8(3) ?
C333 C332 H332 . . 119.6 ?
C331 C332 H332 . . 119.6 ?
C334 C333 C332 . . 119.8(3) ?
C334 C333 H333 . . 120.1 ?
C332 C333 H333 . . 120.1 ?
C333 C334 C335 . . 120.8(3) ?
C333 C334 H334 . . 119.6 ?
C335 C334 H334 . . 119.6 ?
C336 C335 C334 . . 119.5(3) ?
C336 C335 H335 . . 120.2 ?
C334 C335 H335 . . 120.2 ?
C335 C336 C331 . . 120.2(3) ?
C335 C336 H336 . . 119.9 ?
C331 C336 H336 . . 119.9 ?
C442 C441 C446 . . 119.0(2) ?
C442 C441 P21 . . 123.06(19) ?
C446 C441 P21 . . 117.97(18) ?
C441 C442 C443 . . 119.9(2) ?
C441 C442 H442 . . 120.1 ?
C443 C442 H442 . . 120.1 ?
C444 C443 C442 . . 120.7(2) ?
C444 C443 H443 . . 119.7 ?
C442 C443 H443 . . 119.7 ?
C445 C444 C443 . . 119.9(2) ?
C445 C444 H444 . . 120.1 ?
C443 C444 H444 . . 120.1 ?
C444 C445 C446 . . 119.9(3) ?
C444 C445 H445 . . 120.0 ?
C446 C445 H445 . . 120.0 ?
C445 C446 C441 . . 120.6(2) ?
C445 C446 H446 . . 119.7 ?
C441 C446 H446 . . 119.7 ?
C556 C551 C552 . . 118.4(2) ?
C556 C551 P21 . . 116.97(17) ?
C552 C551 P21 . . 124.65(18) ?
C553 C552 C551 . . 120.3(2) ?
C553 C552 H552 . . 119.9 ?
C551 C552 H552 . . 119.9 ?
C554 C553 C552 . . 120.8(2) ?
C554 C553 H553 . . 119.6 ?
C552 C553 H553 . . 119.6 ?
C553 C554 C555 . . 119.5(2) ?
C553 C554 H554 . . 120.3 ?
C555 C554 H554 . . 120.3 ?
C554 C555 C556 . . 120.0(2) ?
C554 C555 H555 . . 120.0 ?
C556 C555 H555 . . 120.0 ?
C551 C556 C555 . . 121.1(2) ?
C551 C556 H556 . . 119.4 ?
C555 C556 H556 . . 119.4 ?
C662 C661 C666 . . 118.8(2) ?
C662 C661 P21 . . 118.34(18) ?
C666 C661 P21 . . 122.8(2) ?
C663 C662 C661 . . 120.5(2) ?
C663 C662 H662 . . 119.8 ?
C661 C662 H662 . . 119.8 ?
C664 C663 C662 . . 120.2(3) ?
C664 C663 H663 . . 119.9 ?
C662 C663 H663 . . 119.9 ?
C665 C664 C663 . . 119.4(3) ?
C665 C664 H664 . . 120.3 ?
C663 C664 H664 . . 120.3 ?
C664 C665 C666 . . 121.1(3) ?
C664 C665 H665 . . 119.5 ?
C666 C665 H665 . . 119.5 ?
C665 C666 C661 . . 120.0(3) ?
C665 C666 H666 . . 120.0 ?
C661 C666 H666 . . 120.0 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ni C71 . 1.895(2) ?
Ni P2 . 2.2094(7) ?
Ni P1 . 2.2131(7) ?
Ni Cl . 2.2377(8) ?
Ni1 Cl1 . 2.1566(8) ?
Ni1 P21 . 2.2128(7) ?
Ni1 P11 . 2.2152(7) ?
P1 C31 . 1.823(2) ?
P1 C11 . 1.825(2) ?
P1 C21 . 1.825(2) ?
P2 C41 . 1.816(2) ?
P2 C51 . 1.819(2) ?
P2 C61 . 1.831(2) ?
P11 C331 . 1.820(2) ?
P11 C221 . 1.823(2) ?
P11 C111 . 1.827(2) ?
P21 C661 . 1.818(2) ?
P21 C441 . 1.829(2) ?
P21 C551 . 1.832(2) ?
C11 C16 . 1.392(3) ?
C11 C12 . 1.405(3) ?
C12 C13 . 1.378(3) ?
C12 H12 . 0.9300 ?
C13 C14 . 1.373(4) ?
C13 H13 . 0.9300 ?
C14 C15 . 1.373(4) ?
C14 H14 . 0.9300 ?
C15 C16 . 1.388(3) ?
C15 H15 . 0.9300 ?
C16 H16 . 0.9300 ?
C21 C22 . 1.387(3) ?
C21 C26 . 1.390(3) ?
C22 C23 . 1.388(3) ?
C22 H22 . 0.9300 ?
C23 C24 . 1.368(4) ?
C23 H23 . 0.9300 ?
C24 C25 . 1.382(4) ?
C24 H24 . 0.9300 ?
C25 C26 . 1.380(3) ?
C25 H25 . 0.9300 ?
C26 H26 . 0.9300 ?
C31 C32 . 1.387(3) ?
C31 C36 . 1.387(3) ?
C32 C33 . 1.384(3) ?
C32 H32 . 0.9300 ?
C33 C34 . 1.376(4) ?
C33 H33 . 0.9300 ?
C34 C35 . 1.379(4) ?
C34 H34 . 0.9300 ?
C35 C36 . 1.384(3) ?
C35 H35 . 0.9300 ?
C36 H36 . 0.9300 ?
C41 C42 . 1.385(3) ?
C41 C46 . 1.397(3) ?
C42 C43 . 1.388(3) ?
C42 H42 . 0.9300 ?
C43 C44 . 1.374(3) ?
C43 H43 . 0.9300 ?
C44 C45 . 1.376(3) ?
C44 H44 . 0.9300 ?
C45 C46 . 1.380(3) ?
C45 H45 . 0.9300 ?
C46 H46 . 0.9300 ?
C51 C52 . 1.395(3) ?
C51 C56 . 1.398(3) ?
C52 C53 . 1.380(3) ?
C52 H52 . 0.9300 ?
C53 C54 . 1.375(3) ?
C53 H53 . 0.9300 ?
C54 C55 . 1.380(3) ?
C54 H54 . 0.9300 ?
C55 C56 . 1.386(3) ?
C55 H55 . 0.9300 ?
C56 H56 . 0.9300 ?
C61 C62 . 1.388(3) ?
C61 C66 . 1.393(3) ?
C62 C63 . 1.384(3) ?
C62 H62 . 0.9300 ?
C63 C64 . 1.380(3) ?
C63 H63 . 0.9300 ?
C64 C65 . 1.365(3) ?
C64 H64 . 0.9300 ?
C65 C66 . 1.382(3) ?
C65 H65 . 0.9300 ?
C66 H66 . 0.9300 ?
C71 C76 . 1.375(3) ?
C71 C72 . 1.387(3) ?
C72 C73 . 1.388(4) ?
C72 H72 . 0.9300 ?
C73 C74 . 1.355(4) ?
C73 H73 . 0.9300 ?
C74 C75 . 1.358(4) ?
C74 H74 . 0.9300 ?
C75 C76 . 1.390(4) ?
C75 H75 . 0.9300 ?
C76 H76 . 0.9300 ?
C111 C116 . 1.384(4) ?
C111 C112 . 1.385(4) ?
C112 C113 . 1.391(4) ?
C112 H112 . 0.9300 ?
C113 C114 . 1.357(5) ?
C113 H113 . 0.9300 ?
C114 C115 . 1.363(5) ?
C114 H114 . 0.9300 ?
C115 C116 . 1.385(4) ?
C115 H115 . 0.9300 ?
C116 H116 . 0.9300 ?
C221 C222 . 1.388(3) ?
C221 C226 . 1.395(3) ?
C222 C223 . 1.380(3) ?
C222 H222 . 0.9300 ?
C223 C224 . 1.372(4) ?
C223 H223 . 0.9300 ?
C224 C225 . 1.379(4) ?
C224 H224 . 0.9300 ?
C225 C226 . 1.380(3) ?
C225 H225 . 0.9300 ?
C226 H226 . 0.9300 ?
C331 C332 . 1.390(4) ?
C331 C336 . 1.404(3) ?
C332 C333 . 1.384(4) ?
C332 H332 . 0.9300 ?
C333 C334 . 1.372(5) ?
C333 H333 . 0.9300 ?
C334 C335 . 1.390(5) ?
C334 H334 . 0.9300 ?
C335 C336 . 1.384(4) ?
C335 H335 . 0.9300 ?
C336 H336 . 0.9300 ?
C441 C442 . 1.379(3) ?
C441 C446 . 1.393(3) ?
C442 C443 . 1.388(3) ?
C442 H442 . 0.9300 ?
C443 C444 . 1.376(4) ?
C443 H443 . 0.9300 ?
C444 C445 . 1.369(4) ?
C444 H444 . 0.9300 ?
C445 C446 . 1.385(3) ?
C445 H445 . 0.9300 ?
C446 H446 . 0.9300 ?
C551 C556 . 1.383(3) ?
C551 C552 . 1.394(3) ?
C552 C553 . 1.382(3) ?
C552 H552 . 0.9300 ?
C553 C554 . 1.377(4) ?
C553 H553 . 0.9300 ?
C554 C555 . 1.379(3) ?
C554 H554 . 0.9300 ?
C555 C556 . 1.384(3) ?
C555 H555 . 0.9300 ?
C556 H556 . 0.9300 ?
C661 C662 . 1.388(3) ?
C661 C666 . 1.392(3) ?
C662 C663 . 1.385(4) ?
C662 H662 . 0.9300 ?
C663 C664 . 1.378(4) ?
C663 H663 . 0.9300 ?
C664 C665 . 1.375(4) ?
C664 H664 . 0.9300 ?
C665 C666 . 1.378(4) ?
C665 H665 . 0.9300 ?
C666 H666 . 0.9300 ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
C71 Ni P1 C31 . . . . -4.63(11) ?
Cl Ni P1 C31 . . . . 176.01(8) ?
C71 Ni P1 C11 . . . . 117.83(11) ?
Cl Ni P1 C11 . . . . -61.53(8) ?
C71 Ni P1 C21 . . . . -120.84(10) ?
Cl Ni P1 C21 . . . . 59.80(8) ?
C71 Ni P2 C41 . . . . -122.09(11) ?
Cl Ni P2 C41 . . . . 57.24(8) ?
C71 Ni P2 C51 . . . . 116.09(10) ?
Cl Ni P2 C51 . . . . -64.59(8) ?
C71 Ni P2 C61 . . . . -5.10(11) ?
Cl Ni P2 C61 . . . . 174.23(8) ?
Cl1 Ni1 P11 C331 . . . . 163.57(10) ?
P21 Ni1 P11 C331 . . . . -28.00(10) ?
Cl1 Ni1 P11 C221 . . . . -74.72(8) ?
P21 Ni1 P11 C221 . . . . 93.72(8) ?
Cl1 Ni1 P11 C111 . . . . 41.28(10) ?
P21 Ni1 P11 C111 . . . . -150.29(10) ?
Cl1 Ni1 P21 C661 . . . . -155.93(9) ?
P11 Ni1 P21 C661 . . . . 35.43(9) ?
Cl1 Ni1 P21 C441 . . . . -31.60(9) ?
P11 Ni1 P21 C441 . . . . 159.75(9) ?
Cl1 Ni1 P21 C551 . . . . 83.66(8) ?
P11 Ni1 P21 C551 . . . . -84.98(8) ?
C31 P1 C11 C16 . . . . 137.71(19) ?
C21 P1 C11 C16 . . . . -115.08(19) ?
Ni P1 C11 C16 . . . . 6.4(2) ?
C31 P1 C11 C12 . . . . -40.5(2) ?
C21 P1 C11 C12 . . . . 66.7(2) ?
Ni P1 C11 C12 . . . . -171.90(16) ?
C16 C11 C12 C13 . . . . 1.9(3) ?
P1 C11 C12 C13 . . . . -179.79(18) ?
C11 C12 C13 C14 . . . . -0.6(4) ?
C12 C13 C14 C15 . . . . -0.8(4) ?
C13 C14 C15 C16 . . . . 0.9(4) ?
C14 C15 C16 C11 . . . . 0.5(4) ?
C12 C11 C16 C15 . . . . -1.9(3) ?
P1 C11 C16 C15 . . . . 179.84(18) ?
C31 P1 C21 C22 . . . . 87.6(2) ?
C11 P1 C21 C22 . . . . -19.5(2) ?
Ni P1 C21 C22 . . . . -145.42(18) ?
C31 P1 C21 C26 . . . . -89.00(19) ?
C11 P1 C21 C26 . . . . 163.89(18) ?
Ni P1 C21 C26 . . . . 38.0(2) ?
C26 C21 C22 C23 . . . . -0.4(3) ?
P1 C21 C22 C23 . . . . -176.90(18) ?
C21 C22 C23 C24 . . . . 1.4(4) ?
C22 C23 C24 C25 . . . . -0.8(4) ?
C23 C24 C25 C26 . . . . -0.7(4) ?
C24 C25 C26 C21 . . . . 1.7(4) ?
C22 C21 C26 C25 . . . . -1.1(4) ?
P1 C21 C26 C25 . . . . 175.7(2) ?
C11 P1 C31 C32 . . . . 126.00(19) ?
C21 P1 C31 C32 . . . . 14.3(2) ?
Ni P1 C31 C32 . . . . -105.08(18) ?
C11 P1 C31 C36 . . . . -56.5(2) ?
C21 P1 C31 C36 . . . . -168.20(18) ?
Ni P1 C31 C36 . . . . 72.44(19) ?
C36 C31 C32 C33 . . . . 0.1(3) ?
P1 C31 C32 C33 . . . . 177.62(18) ?
C31 C32 C33 C34 . . . . 0.0(4) ?
C32 C33 C34 C35 . . . . -0.8(4) ?
C33 C34 C35 C36 . . . . 1.5(4) ?
C34 C35 C36 C31 . . . . -1.4(4) ?
C32 C31 C36 C35 . . . . 0.6(3) ?
P1 C31 C36 C35 . . . . -177.01(19) ?
C51 P2 C41 C42 . . . . -12.1(2) ?
C61 P2 C41 C42 . . . . 95.6(2) ?
Ni P2 C41 C42 . . . . -136.57(19) ?
C51 P2 C41 C46 . . . . 173.44(17) ?
C61 P2 C41 C46 . . . . -78.83(19) ?
Ni P2 C41 C46 . . . . 49.01(19) ?
C46 C41 C42 C43 . . . . 1.5(4) ?
P2 C41 C42 C43 . . . . -172.77(18) ?
C41 C42 C43 C44 . . . . 1.3(4) ?
C42 C43 C44 C45 . . . . -2.9(4) ?
C43 C44 C45 C46 . . . . 1.7(4) ?
C44 C45 C46 C41 . . . . 1.1(4) ?
C42 C41 C46 C45 . . . . -2.7(4) ?
P2 C41 C46 C45 . . . . 172.19(19) ?
C41 P2 C51 C52 . . . . 63.8(2) ?
C61 P2 C51 C52 . . . . -43.3(2) ?
Ni P2 C51 C52 . . . . -173.81(16) ?
C41 P2 C51 C56 . . . . -119.61(19) ?
C61 P2 C51 C56 . . . . 133.27(19) ?
Ni P2 C51 C56 . . . . 2.8(2) ?
C56 C51 C52 C53 . . . . 1.0(3) ?
P2 C51 C52 C53 . . . . 177.58(18) ?
C51 C52 C53 C54 . . . . -1.0(4) ?
C52 C53 C54 C55 . . . . 0.3(4) ?
C53 C54 C55 C56 . . . . 0.4(4) ?
C54 C55 C56 C51 . . . . -0.4(4) ?
C52 C51 C56 C55 . . . . -0.3(4) ?
P2 C51 C56 C55 . . . . -176.9(2) ?
C41 P2 C61 C62 . . . . -166.85(18) ?
C51 P2 C61 C62 . . . . -54.3(2) ?
Ni P2 C61 C62 . . . . 72.01(19) ?
C41 P2 C61 C66 . . . . 19.5(2) ?
C51 P2 C61 C66 . . . . 132.0(2) ?
Ni P2 C61 C66 . . . . -101.63(19) ?
C66 C61 C62 C63 . . . . 0.6(4) ?
P2 C61 C62 C63 . . . . -173.43(19) ?
C61 C62 C63 C64 . . . . 0.1(4) ?
C62 C63 C64 C65 . . . . -0.5(4) ?
C63 C64 C65 C66 . . . . 0.1(4) ?
C64 C65 C66 C61 . . . . 0.6(4) ?
C62 C61 C66 C65 . . . . -0.9(3) ?
P2 C61 C66 C65 . . . . 172.75(19) ?
P2 Ni C71 C76 . . . . 84.6(2) ?
P1 Ni C71 C76 . . . . -98.3(2) ?
P2 Ni C71 C72 . . . . -95.7(2) ?
P1 Ni C71 C72 . . . . 81.4(2) ?
C76 C71 C72 C73 . . . . -1.2(4) ?
Ni C71 C72 C73 . . . . 179.1(2) ?
C71 C72 C73 C74 . . . . 2.2(4) ?
C72 C73 C74 C75 . . . . -1.6(5) ?
C73 C74 C75 C76 . . . . 0.0(5) ?
C72 C71 C76 C75 . . . . -0.3(4) ?
Ni C71 C76 C75 . . . . 179.4(2) ?
C74 C75 C76 C71 . . . . 0.9(5) ?
C331 P11 C111 C116 . . . . -77.3(2) ?
C221 P11 C111 C116 . . . . 177.8(2) ?
Ni1 P11 C111 C116 . . . . 57.2(2) ?
C331 P11 C111 C112 . . . . 104.2(2) ?
C221 P11 C111 C112 . . . . -0.7(2) ?
Ni1 P11 C111 C112 . . . . -121.3(2) ?
C116 C111 C112 C113 . . . . 2.1(4) ?
P11 C111 C112 C113 . . . . -179.5(2) ?
C111 C112 C113 C114 . . . . -0.5(5) ?
C112 C113 C114 C115 . . . . -0.8(5) ?
C113 C114 C115 C116 . . . . 0.5(6) ?
C112 C111 C116 C115 . . . . -2.4(4) ?
P11 C111 C116 C115 . . . . 179.1(3) ?
C114 C115 C116 C111 . . . . 1.1(5) ?
C331 P11 C221 C222 . . . . 150.55(18) ?
C111 P11 C221 C222 . . . . -102.48(19) ?
Ni1 P11 C221 C222 . . . . 15.8(2) ?
C331 P11 C221 C226 . . . . -26.3(2) ?
C111 P11 C221 C226 . . . . 80.7(2) ?
Ni1 P11 C221 C226 . . . . -161.03(17) ?
C226 C221 C222 C223 . . . . -0.6(3) ?
P11 C221 C222 C223 . . . . -177.47(18) ?
C221 C222 C223 C224 . . . . 0.8(4) ?
C222 C223 C224 C225 . . . . -0.7(4) ?
C223 C224 C225 C226 . . . . 0.4(4) ?
C224 C225 C226 C221 . . . . -0.1(4) ?
C222 C221 C226 C225 . . . . 0.2(3) ?
P11 C221 C226 C225 . . . . 177.05(19) ?
C221 P11 C331 C332 . . . . 108.5(2) ?
C111 P11 C331 C332 . . . . 0.1(2) ?
Ni1 P11 C331 C332 . . . . -124.61(18) ?
C221 P11 C331 C336 . . . . -68.39(19) ?
C111 P11 C331 C336 . . . . -176.77(18) ?
Ni1 P11 C331 C336 . . . . 58.5(2) ?
C336 C331 C332 C333 . . . . 1.3(4) ?
P11 C331 C332 C333 . . . . -175.52(19) ?
C331 C332 C333 C334 . . . . -0.4(4) ?
C332 C333 C334 C335 . . . . -0.9(4) ?
C333 C334 C335 C336 . . . . 1.4(4) ?
C334 C335 C336 C331 . . . . -0.5(4) ?
C332 C331 C336 C335 . . . . -0.8(3) ?
P11 C331 C336 C335 . . . . 176.23(19) ?
C661 P21 C441 C442 . . . . 11.8(2) ?
C551 P21 C441 C442 . . . . 120.6(2) ?
Ni1 P21 C441 C442 . . . . -121.24(18) ?
C661 P21 C441 C446 . . . . -169.34(18) ?
C551 P21 C441 C446 . . . . -60.5(2) ?
Ni1 P21 C441 C446 . . . . 57.6(2) ?
C446 C441 C442 C443 . . . . 1.8(4) ?
P21 C441 C442 C443 . . . . -179.38(19) ?
C441 C442 C443 C444 . . . . 0.6(4) ?
C442 C443 C444 C445 . . . . -1.8(4) ?
C443 C444 C445 C446 . . . . 0.6(4) ?
C444 C445 C446 C441 . . . . 1.8(4) ?
C442 C441 C446 C445 . . . . -3.0(4) ?
P21 C441 C446 C445 . . . . 178.11(19) ?
C661 P21 C551 C556 . . . . -91.14(19) ?
C441 P21 C551 C556 . . . . 160.77(18) ?
Ni1 P21 C551 C556 . . . . 38.88(19) ?
C661 P21 C551 C552 . . . . 90.2(2) ?
C441 P21 C551 C552 . . . . -17.8(2) ?
Ni1 P21 C551 C552 . . . . -139.73(19) ?
C556 C551 C552 C553 . . . . 0.3(4) ?
P21 C551 C552 C553 . . . . 178.9(2) ?
C551 C552 C553 C554 . . . . -0.8(4) ?
C552 C553 C554 C555 . . . . 0.7(4) ?
C553 C554 C555 C556 . . . . -0.2(4) ?
C552 C551 C556 C555 . . . . 0.2(3) ?
P21 C551 C556 C555 . . . . -178.48(18) ?
C554 C555 C556 C551 . . . . -0.3(4) ?
C441 P21 C661 C662 . . . . -94.50(19) ?
C551 P21 C661 C662 . . . . 157.21(18) ?
Ni1 P21 C661 C662 . . . . 34.7(2) ?
C441 P21 C661 C666 . . . . 86.8(2) ?
C551 P21 C661 C666 . . . . -21.5(2) ?
Ni1 P21 C661 C666 . . . . -143.97(18) ?
C666 C661 C662 C663 . . . . 0.3(4) ?
P21 C661 C662 C663 . . . . -178.43(19) ?
C661 C662 C663 C664 . . . . -0.8(4) ?
C662 C663 C664 C665 . . . . 0.7(4) ?
C663 C664 C665 C666 . . . . -0.1(5) ?
C664 C665 C666 C661 . . . . -0.4(4) ?
C662 C661 C666 C665 . . . . 0.3(4) ?
P21 C661 C666 C665 . . . . 179.0(2) ?
