#------------------------------------------------------------------------------
#$Date: 2024-09-06 03:41:17 +0300 (Fri, 06 Sep 2024) $
#$Revision: 294549 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/67/7716738.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_7716738
loop_
_publ_author_name
'Mondal, Munmun'
'Mani, Ganesan'
_publ_section_title
;
 Copper(I) complexes bearing pyrrole-bridged S,N and N-donor ligands as
 catalysts for tandem hydroamination-alkynylation: effect of anions on
 product formation.
;
_journal_issue                   33
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13996
_journal_page_last               14010
_journal_paper_doi               10.1039/d4dt01937g
_journal_volume                  53
_journal_year                    2024
_chemical_formula_sum            'C138 H136 N4 Ni2 P4'
_chemical_formula_weight         2091.80
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_block_doi                 10.5517/ccdc.csd.cc2h3pv5
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2023-09-26 deposited with the CCDC.	2024-07-25 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 115.652(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.8416(15)
_cell_length_b                   35.708(4)
_cell_length_c                   13.5064(15)
_cell_measurement_reflns_used    76740
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.318
_cell_measurement_theta_min      2.156
_cell_volume                     5582.9(11)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker-D8 Venture APEX3'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1574
_diffrn_reflns_av_unetI/netI     0.1384
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       47
_diffrn_reflns_limit_k_min       -46
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            76740
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.318
_diffrn_reflns_theta_min         2.156
_diffrn_source                   'Fine focused sealed tube'
_exptl_absorpt_coefficient_mu    0.449
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_diffrn    1.244
_exptl_crystal_description       needle
_exptl_crystal_F_000             2216
_exptl_crystal_size_max          0.583
_exptl_crystal_size_mid          0.112
_exptl_crystal_size_min          0.094
_exptl_transmission_factor_max   0.7457
_exptl_transmission_factor_min   0.6476
_refine_diff_density_max         0.460
_refine_diff_density_min         -0.332
_refine_diff_density_rms         0.067
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     675
_refine_ls_number_reflns         13848
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      1.009
_refine_ls_R_factor_all          0.1851
_refine_ls_R_factor_gt           0.0636
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0648P)²+2.3358P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1321
_refine_ls_wR_factor_ref         0.1893
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6106
_reflns_number_total             13848
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4dt01937g2.cif
_cod_data_source_block           Ni(0)
_cod_depositor_comments
'Adding full bibliography for 7716734--7716739.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7716738
_shelx_shelxl_version_number     2018/3
_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+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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.8020(3) 0.14233(10) -0.1959(3) 0.0428(10) Uani 1 1 d . . . . .
C2 C 0.7313(4) 0.15346(11) -0.1473(3) 0.0479(10) Uani 1 1 d . . . . .
H2 H 0.762566 0.168099 -0.084147 0.058 Uiso 1 1 calc R U . . .
C3 C 0.6157(4) 0.14348(13) -0.1896(4) 0.0593(12) Uani 1 1 d . . . . .
H3 H 0.570865 0.150996 -0.154479 0.071 Uiso 1 1 calc R U . . .
C4 C 0.5683(4) 0.12258(13) -0.2831(4) 0.0655(14) Uani 1 1 d . . . . .
H4 H 0.490526 0.116097 -0.312740 0.079 Uiso 1 1 calc R U . . .
C5 C 0.6358(4) 0.11108(13) -0.3336(4) 0.0636(13) Uani 1 1 d . . . . .
H5 H 0.603450 0.096658 -0.397080 0.076 Uiso 1 1 calc R U . . .
C6 C 0.7512(4) 0.12081(12) -0.2907(3) 0.0551(11) Uani 1 1 d . . . . .
H6 H 0.795583 0.112818 -0.325725 0.066 Uiso 1 1 calc R U . . .
C7 C 0.9764(4) 0.17038(11) -0.2533(3) 0.0460(10) Uani 1 1 d . . . . .
C8 C 0.8921(4) 0.18926(12) -0.3423(3) 0.0598(12) Uani 1 1 d . . . . .
H8 H 0.819164 0.192823 -0.345142 0.072 Uiso 1 1 calc R U . . .
C9 C 0.9156(5) 0.20275(15) -0.4265(4) 0.0821(17) Uani 1 1 d . . . . .
H9 H 0.858614 0.215461 -0.484933 0.099 Uiso 1 1 calc R U . . .
C10 C 1.0225(6) 0.19750(16) -0.4243(5) 0.0901(18) Uani 1 1 d . . . . .
H10 H 1.037261 0.206490 -0.481625 0.108 Uiso 1 1 calc R U . . .
C11 C 1.1075(5) 0.17908(14) -0.3382(5) 0.0748(15) Uani 1 1 d . . . . .
H11 H 1.179846 0.175316 -0.336679 0.090 Uiso 1 1 calc R U . . .
C12 C 1.0840(4) 0.16624(12) -0.2540(4) 0.0579(12) Uani 1 1 d . . . . .
H12 H 1.142498 0.154278 -0.194855 0.069 Uiso 1 1 calc R U . . .
C13 C 0.8831(4) 0.24088(11) -0.1231(3) 0.0489(11) Uani 1 1 d . . . . .
H13 H 0.811732 0.230384 -0.179928 0.059 Uiso 1 1 calc R U . . .
C14 C 0.9492(4) 0.26611(12) -0.1659(4) 0.0610(13) Uani 1 1 d . . . . .
H14A H 0.949563 0.291320 -0.139019 0.073 Uiso 1 1 calc R U . . .
H14B H 0.909046 0.266846 -0.245428 0.073 Uiso 1 1 calc R U . . .
C15 C 1.0756(4) 0.25365(12) -0.1320(3) 0.0575(12) Uani 1 1 d . . . . .
H15A H 1.078666 0.239216 -0.191564 0.069 Uiso 1 1 calc R U . . .
H15B H 1.123046 0.275762 -0.121717 0.069 Uiso 1 1 calc R U . . .
C16 C 1.1262(4) 0.23045(11) -0.0284(3) 0.0505(11) Uani 1 1 d . . . . .
H16 H 1.192955 0.215152 -0.019845 0.061 Uiso 1 1 calc R U . . .
C17 C 1.1247(3) 0.24133(10) 0.0687(3) 0.0484(11) Uani 1 1 d . . . . .
H17 H 1.190323 0.232323 0.134881 0.058 Uiso 1 1 calc R U . . .
C18 C 1.0756(4) 0.27853(11) 0.0824(4) 0.0570(12) Uani 1 1 d . . . . .
H18A H 1.088271 0.296946 0.035942 0.068 Uiso 1 1 calc R U . . .
H18B H 1.117845 0.286719 0.157942 0.068 Uiso 1 1 calc R U . . .
C19 C 0.9458(4) 0.27756(11) 0.0540(3) 0.0546(12) Uani 1 1 d . . . . .
H19A H 0.936841 0.274852 0.121405 0.066 Uiso 1 1 calc R U . . .
H19B H 0.911333 0.301273 0.020930 0.066 Uiso 1 1 calc R U . . .
C20 C 0.8814(3) 0.24635(11) -0.0231(3) 0.0468(10) Uani 1 1 d . . . . .
H20 H 0.809023 0.239105 -0.020542 0.056 Uiso 1 1 calc R U . . .
C21 C 0.9718(4) 0.20895(10) 0.2279(3) 0.0455(10) Uani 1 1 d . . . . .
C22 C 0.8591(4) 0.21418(12) 0.2115(4) 0.0580(12) Uani 1 1 d . . . . .
H22 H 0.801621 0.198744 0.162291 0.070 Uiso 1 1 calc R U . . .
C23 C 0.8292(5) 0.24185(14) 0.2664(4) 0.0758(15) Uani 1 1 d . . . . .
H23 H 0.752596 0.244900 0.254039 0.091 Uiso 1 1 calc R U . . .
C24 C 0.9136(6) 0.26477(14) 0.3394(4) 0.0799(16) Uani 1 1 d . . . . .
H24 H 0.893865 0.283561 0.375838 0.096 Uiso 1 1 calc R U . . .
C25 C 1.0270(5) 0.26004(12) 0.3587(4) 0.0682(14) Uani 1 1 d . . . . .
H25 H 1.083996 0.275365 0.408908 0.082 Uiso 1 1 calc R U . . .
C26 C 1.0564(4) 0.23255(11) 0.3035(3) 0.0530(11) Uani 1 1 d . . . . .
H26 H 1.133247 0.229611 0.316522 0.064 Uiso 1 1 calc R U . . .
C27 C 1.1484(3) 0.15872(10) 0.2394(3) 0.0430(10) Uani 1 1 d . . . . .
C28 C 1.1745(4) 0.15064(11) 0.3486(3) 0.0538(11) Uani 1 1 d . . . . .
H28 H 1.121785 0.156488 0.376488 0.065 Uiso 1 1 calc R U . . .
C29 C 1.2791(5) 0.13387(12) 0.4161(4) 0.0662(14) Uani 1 1 d . . . . .
H29 H 1.296068 0.128653 0.488949 0.079 Uiso 1 1 calc R U . . .
C30 C 1.3573(5) 0.12499(14) 0.3757(5) 0.0769(16) Uani 1 1 d . . . . .
H30 H 1.426611 0.113474 0.421058 0.092 Uiso 1 1 calc R U . . .
C31 C 1.3336(4) 0.13300(12) 0.2689(4) 0.0672(14) Uani 1 1 d . . . . .
H31 H 1.386962 0.127149 0.241811 0.081 Uiso 1 1 calc R U . . .
C32 C 1.2290(4) 0.14998(11) 0.2011(4) 0.0506(11) Uani 1 1 d . . . . .
H32 H 1.213447 0.155516 0.128740 0.061 Uiso 1 1 calc R U . . .
C33 C 0.9153(3) 0.13579(10) 0.1494(3) 0.0454(10) Uani 1 1 d . . . . .
H33A H 0.915773 0.136672 0.221325 0.054 Uiso 1 1 calc R U . . .
H33B H 0.836564 0.140631 0.096098 0.054 Uiso 1 1 calc R U . . .
C34 C 0.9432(3) 0.09666(10) 0.1316(3) 0.0397(9) Uani 1 1 d . . . . .
C35 C 0.8761(3) 0.07024(10) 0.0588(3) 0.0443(10) Uani 1 1 d . . . . .
H35 H 0.805099 0.074476 -0.000601 0.053 Uiso 1 1 calc R U . . .
C36 C 0.9335(3) 0.03517(11) 0.0897(3) 0.0446(10) Uani 1 1 d . . . . .
H36 H 0.906524 0.012436 0.054172 0.053 Uiso 1 1 calc R U . . .
C37 C 1.0354(3) 0.04070(10) 0.1806(3) 0.0401(9) Uani 1 1 d . . . . .
C38 C 1.1335(3) 0.01377(10) 0.2453(3) 0.0399(9) Uani 1 1 d . . . . .
C39 C 1.1971(4) 0.02681(10) 0.3663(3) 0.0467(10) Uani 1 1 d . . . . .
C40 C 1.1354(4) 0.03790(11) 0.4229(3) 0.0585(12) Uani 1 1 d . . . . .
H40 H 1.055094 0.038069 0.387427 0.070 Uiso 1 1 calc R U . . .
C41 C 1.1913(6) 0.04890(14) 0.5328(4) 0.0756(15) Uani 1 1 d . . . . .
H41 H 1.148242 0.056081 0.570003 0.091 Uiso 1 1 calc R U . . .
C42 C 1.3096(6) 0.04914(15) 0.5859(4) 0.0844(19) Uani 1 1 d . . . . .
H42 H 1.346724 0.056497 0.659016 0.101 Uiso 1 1 calc R U . . .
C43 C 1.3728(5) 0.03863(15) 0.5317(4) 0.0811(17) Uani 1 1 d . . . . .
H43 H 1.453094 0.038740 0.568042 0.097 Uiso 1 1 calc R U . . .
C44 C 1.3178(4) 0.02768(12) 0.4216(4) 0.0603(13) Uani 1 1 d . . . . .
H44 H 1.361664 0.020909 0.384872 0.072 Uiso 1 1 calc R U . . .
C45 C 1.2178(3) 0.01183(11) 0.1922(3) 0.0435(10) Uani 1 1 d . . . . .
C46 C 1.2301(4) 0.04096(12) 0.1309(4) 0.0588(12) Uani 1 1 d . . . . .
H46 H 1.183833 0.062068 0.119099 0.071 Uiso 1 1 calc R U . . .
C47 C 1.3088(5) 0.03982(15) 0.0866(4) 0.0767(15) Uani 1 1 d . . . . .
H47 H 1.315737 0.060048 0.046495 0.092 Uiso 1 1 calc R U . . .
C48 C 1.3768(5) 0.00864(16) 0.1020(4) 0.0759(15) Uani 1 1 d . . . . .
H48 H 1.429453 0.007568 0.071742 0.091 Uiso 1 1 calc R U . . .
C49 C 1.3668(4) -0.02084(14) 0.1621(4) 0.0661(13) Uani 1 1 d . . . . .
H49 H 1.413262 -0.041859 0.173250 0.079 Uiso 1 1 calc R U . . .
C50 C 1.2881(4) -0.01949(12) 0.2061(4) 0.0540(11) Uani 1 1 d . . . . .
H50 H 1.281596 -0.039857 0.246005 0.065 Uiso 1 1 calc R U . . .
C51 C 1.0818(3) -0.02489(10) 0.2453(3) 0.0397(9) Uani 1 1 d . . . . .
C52 C 1.0524(4) -0.04183(11) 0.3194(3) 0.0513(11) Uani 1 1 d . . . . .
H52 H 1.064639 -0.032346 0.387728 0.062 Uiso 1 1 calc R U . . .
C53 C 0.9996(4) -0.07654(11) 0.2744(3) 0.0546(11) Uani 1 1 d . . . . .
H53 H 0.969866 -0.093641 0.307442 0.066 Uiso 1 1 calc R U . . .
C54 C 1.0002(3) -0.08045(10) 0.1741(3) 0.0386(9) Uani 1 1 d . . . . .
C55 C 0.9657(3) -0.11191(10) 0.0926(3) 0.0423(10) Uani 1 1 d . . . . .
H55A H 0.972010 -0.102887 0.027621 0.051 Uiso 1 1 calc R U . . .
H55B H 0.884717 -0.117170 0.071131 0.051 Uiso 1 1 calc R U . . .
C56 C 1.7530(10) 0.0176(3) 0.2390(9) 0.205(5) Uani 1 1 d . . . . .
H56A H 1.821836 0.019641 0.228072 0.308 Uiso 1 1 calc R U . . .
H56B H 1.754750 -0.005286 0.276770 0.308 Uiso 1 1 calc R U . . .
H56C H 1.686594 0.017747 0.169020 0.308 Uiso 1 1 calc R U . . .
C57 C 1.7463(8) 0.0497(2) 0.3051(6) 0.114(2) Uani 1 1 d . U . . .
C58 C 1.6565(7) 0.0534(3) 0.3321(7) 0.140(3) Uani 1 1 d . U . . .
H58 H 1.598778 0.035308 0.310692 0.168 Uiso 1 1 calc R U . . .
C59 C 1.6519(11) 0.0827(4) 0.3884(10) 0.193(5) Uani 1 1 d . U . . .
H59 H 1.590484 0.084285 0.407348 0.232 Uiso 1 1 calc R U . . .
C60 C 1.7296(18) 0.1104(5) 0.4207(11) 0.236(8) Uani 1 1 d . U . . .
H60 H 1.718457 0.131093 0.456934 0.283 Uiso 1 1 calc R U . . .
C61 C 1.8245(13) 0.1087(5) 0.4009(9) 0.216(7) Uani 1 1 d . U . . .
H61 H 1.881905 0.126887 0.426511 0.259 Uiso 1 1 calc R U . . .
C62 C 1.8309(8) 0.0781(3) 0.3402(9) 0.157(4) Uani 1 1 d . U . . .
H62 H 1.892958 0.076262 0.322183 0.188 Uiso 1 1 calc R U . . .
C63 C 1.5194(8) 0.1783(2) 0.1322(7) 0.166(4) Uani 1 1 d . . . . .
H63A H 1.597461 0.176120 0.187569 0.249 Uiso 1 1 calc R U . . .
H63B H 1.511398 0.201043 0.091405 0.249 Uiso 1 1 calc R U . . .
H63C H 1.467659 0.178929 0.166399 0.249 Uiso 1 1 calc R U . . .
C64 C 1.4924(7) 0.1473(2) 0.0601(7) 0.119(2) Uani 1 1 d . U . . .
C65 C 1.5820(6) 0.1200(2) 0.0891(7) 0.115(2) Uani 1 1 d . U . . .
H65 H 1.653141 0.122741 0.149534 0.138 Uiso 1 1 calc R U . . .
C66 C 1.5550(7) 0.0888(3) 0.0205(7) 0.128(3) Uani 1 1 d . U . . .
H66 H 1.611137 0.070414 0.036267 0.154 Uiso 1 1 calc R U . . .
C67 C 1.4461(7) 0.0833(2) -0.0733(6) 0.117(2) Uani 1 1 d . U . . .
H67 H 1.431597 0.061862 -0.116218 0.140 Uiso 1 1 calc R U . . .
C68 C 1.3698(7) 0.1091(2) -0.0955(7) 0.113(2) Uani 1 1 d . U . . .
H68 H 1.299611 0.106812 -0.157293 0.136 Uiso 1 1 calc R U . . .
C69 C 1.3915(5) 0.14202(19) -0.0250(5) 0.0926(18) Uani 1 1 d . U . . .
H69 H 1.333176 0.159620 -0.040402 0.111 Uiso 1 1 calc R U . . .
N1 N 1.0402(3) 0.07833(9) 0.2039(3) 0.0404(8) Uani 1 1 d . . . . .
N2 N 1.0481(3) -0.04856(8) 0.1570(3) 0.0388(8) Uani 1 1 d . . . . .
P1 P 0.95449(9) 0.15729(3) -0.13277(8) 0.0389(3) Uani 1 1 d . . . . .
P2 P 1.00622(9) 0.17620(3) 0.14176(8) 0.0394(3) Uani 1 1 d . . . . .
Ni1 Ni 0.99401(4) 0.20106(2) -0.00927(4) 0.03936(16) Uani 1 1 d . . . . .
H1 H 1.092(3) 0.0876(10) 0.258(3) 0.037(11) Uiso 1 1 d . . . . .
H7 H 1.066(3) -0.0455(9) 0.107(3) 0.028(10) Uiso 1 1 d . . . . .
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'
P P 0.1023 0.0942 '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_
_citation_id
_citation_doi
_citation_year
1 10.1039/D3DT03163B 2023
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
C6 C1 C2 116.8(4) . . ?
C6 C1 P1 124.6(3) . . ?
C2 C1 P1 118.6(3) . . ?
C3 C2 C1 122.2(4) . . ?
C3 C2 H2 118.9 . . ?
C1 C2 H2 118.9 . . ?
C4 C3 C2 119.5(5) . . ?
C4 C3 H3 120.3 . . ?
C2 C3 H3 120.3 . . ?
C3 C4 C5 119.8(4) . . ?
C3 C4 H4 120.1 . . ?
C5 C4 H4 120.1 . . ?
C4 C5 C6 120.5(4) . . ?
C4 C5 H5 119.7 . . ?
C6 C5 H5 119.7 . . ?
C5 C6 C1 121.1(4) . . ?
C5 C6 H6 119.5 . . ?
C1 C6 H6 119.5 . . ?
C12 C7 C8 116.6(4) . . ?
C12 C7 P1 120.9(3) . . ?
C8 C7 P1 122.0(3) . . ?
C9 C8 C7 120.9(5) . . ?
C9 C8 H8 119.6 . . ?
C7 C8 H8 119.6 . . ?
C10 C9 C8 120.5(5) . . ?
C10 C9 H9 119.8 . . ?
C8 C9 H9 119.8 . . ?
C11 C10 C9 120.3(5) . . ?
C11 C10 H10 119.8 . . ?
C9 C10 H10 119.8 . . ?
C10 C11 C12 118.8(5) . . ?
C10 C11 H11 120.6 . . ?
C12 C11 H11 120.6 . . ?
C11 C12 C7 122.9(5) . . ?
C11 C12 H12 118.6 . . ?
C7 C12 H12 118.6 . . ?
C20 C13 C14 122.7(4) . . ?
C20 C13 Ni1 71.0(2) . . ?
C14 C13 Ni1 111.3(3) . . ?
C20 C13 H13 114.7 . . ?
C14 C13 H13 114.7 . . ?
Ni1 C13 H13 114.7 . . ?
C13 C14 C15 113.9(3) . . ?
C13 C14 H14A 108.8 . . ?
C15 C14 H14A 108.8 . . ?
C13 C14 H14B 108.8 . . ?
C15 C14 H14B 108.8 . . ?
H14A C14 H14B 107.7 . . ?
C16 C15 C14 114.0(4) . . ?
C16 C15 H15A 108.7 . . ?
C14 C15 H15A 108.7 . . ?
C16 C15 H15B 108.7 . . ?
C14 C15 H15B 108.7 . . ?
H15A C15 H15B 107.6 . . ?
C17 C16 C15 123.4(4) . . ?
C17 C16 Ni1 71.3(2) . . ?
C15 C16 Ni1 109.9(3) . . ?
C17 C16 H16 114.7 . . ?
C15 C16 H16 114.7 . . ?
Ni1 C16 H16 114.7 . . ?
C16 C17 C18 122.8(4) . . ?
C16 C17 Ni1 70.7(2) . . ?
C18 C17 Ni1 112.0(3) . . ?
C16 C17 H17 114.5 . . ?
C18 C17 H17 114.5 . . ?
Ni1 C17 H17 114.5 . . ?
C17 C18 C19 114.3(3) . . ?
C17 C18 H18A 108.7 . . ?
C19 C18 H18A 108.7 . . ?
C17 C18 H18B 108.7 . . ?
C19 C18 H18B 108.7 . . ?
H18A C18 H18B 107.6 . . ?
C20 C19 C18 113.5(3) . . ?
C20 C19 H19A 108.9 . . ?
C18 C19 H19A 108.9 . . ?
C20 C19 H19B 108.9 . . ?
C18 C19 H19B 108.9 . . ?
H19A C19 H19B 107.7 . . ?
C13 C20 C19 123.3(4) . . ?
C13 C20 Ni1 71.2(2) . . ?
C19 C20 Ni1 110.7(3) . . ?
C13 C20 H20 114.6 . . ?
C19 C20 H20 114.6 . . ?
Ni1 C20 H20 114.6 . . ?
C22 C21 C26 117.6(4) . . ?
C22 C21 P2 120.6(3) . . ?
C26 C21 P2 121.4(3) . . ?
C21 C22 C23 121.7(5) . . ?
C21 C22 H22 119.2 . . ?
C23 C22 H22 119.2 . . ?
C24 C23 C22 119.5(5) . . ?
C24 C23 H23 120.2 . . ?
C22 C23 H23 120.2 . . ?
C25 C24 C23 120.3(5) . . ?
C25 C24 H24 119.8 . . ?
C23 C24 H24 119.8 . . ?
C24 C25 C26 120.0(5) . . ?
C24 C25 H25 120.0 . . ?
C26 C25 H25 120.0 . . ?
C25 C26 C21 120.9(5) . . ?
C25 C26 H26 119.6 . . ?
C21 C26 H26 119.6 . . ?
C32 C27 C28 118.3(4) . . ?
C32 C27 P2 118.8(3) . . ?
C28 C27 P2 122.6(3) . . ?
C29 C28 C27 120.3(5) . . ?
C29 C28 H28 119.8 . . ?
C27 C28 H28 119.8 . . ?
C30 C29 C28 120.3(5) . . ?
C30 C29 H29 119.8 . . ?
C28 C29 H29 119.8 . . ?
C31 C30 C29 120.2(5) . . ?
C31 C30 H30 119.9 . . ?
C29 C30 H30 119.9 . . ?
C30 C31 C32 119.6(5) . . ?
C30 C31 H31 120.2 . . ?
C32 C31 H31 120.2 . . ?
C27 C32 C31 121.2(4) . . ?
C27 C32 H32 119.4 . . ?
C31 C32 H32 119.4 . . ?
C34 C33 P2 120.8(3) . . ?
C34 C33 H33A 107.1 . . ?
P2 C33 H33A 107.1 . . ?
C34 C33 H33B 107.1 . . ?
P2 C33 H33B 107.1 . . ?
H33A C33 H33B 106.8 . . ?
C35 C34 N1 106.2(3) . . ?
C35 C34 C33 130.1(4) . . ?
N1 C34 C33 122.8(3) . . ?
C34 C35 C36 108.2(3) . . ?
C34 C35 H35 125.9 . . ?
C36 C35 H35 125.9 . . ?
C37 C36 C35 108.0(3) . . ?
C37 C36 H36 126.0 . . ?
C35 C36 H36 126.0 . . ?
C36 C37 N1 106.1(3) . . ?
C36 C37 C38 131.0(3) . . ?
N1 C37 C38 122.8(3) . . ?
C37 C38 C51 108.6(3) . . ?
C37 C38 C45 109.6(3) . . ?
C51 C38 C45 110.6(3) . . ?
C37 C38 C39 110.1(3) . . ?
C51 C38 C39 107.6(3) . . ?
C45 C38 C39 110.4(3) . . ?
C40 C39 C44 117.9(4) . . ?
C40 C39 C38 120.3(4) . . ?
C44 C39 C38 121.8(4) . . ?
C39 C40 C41 121.1(5) . . ?
C39 C40 H40 119.4 . . ?
C41 C40 H40 119.4 . . ?
C42 C41 C40 120.1(5) . . ?
C42 C41 H41 120.0 . . ?
C40 C41 H41 120.0 . . ?
C43 C42 C41 120.1(5) . . ?
C43 C42 H42 119.9 . . ?
C41 C42 H42 119.9 . . ?
C42 C43 C44 120.3(5) . . ?
C42 C43 H43 119.9 . . ?
C44 C43 H43 119.9 . . ?
C43 C44 C39 120.5(5) . . ?
C43 C44 H44 119.7 . . ?
C39 C44 H44 119.7 . . ?
C46 C45 C50 116.6(4) . . ?
C46 C45 C38 122.2(4) . . ?
C50 C45 C38 121.2(4) . . ?
C47 C46 C45 122.2(5) . . ?
C47 C46 H46 118.9 . . ?
C45 C46 H46 118.9 . . ?
C48 C47 C46 119.7(5) . . ?
C48 C47 H47 120.2 . . ?
C46 C47 H47 120.2 . . ?
C49 C48 C47 119.7(5) . . ?
C49 C48 H48 120.1 . . ?
C47 C48 H48 120.1 . . ?
C48 C49 C50 120.3(5) . . ?
C48 C49 H49 119.9 . . ?
C50 C49 H49 119.9 . . ?
C49 C50 C45 121.4(4) . . ?
C49 C50 H50 119.3 . . ?
C45 C50 H50 119.3 . . ?
C52 C51 N2 106.4(3) . . ?
C52 C51 C38 131.4(3) . . ?
N2 C51 C38 122.0(3) . . ?
C51 C52 C53 107.9(4) . . ?
C51 C52 H52 126.0 . . ?
C53 C52 H52 126.0 . . ?
C54 C53 C52 107.9(4) . . ?
C54 C53 H53 126.0 . . ?
C52 C53 H53 126.0 . . ?
N2 C54 C53 106.3(3) . . ?
N2 C54 C55 120.9(3) . . ?
C53 C54 C55 132.7(3) . . ?
C54 C55 P1 119.1(3) . 3_755 ?
C54 C55 H55A 107.5 . . ?
P1 C55 H55A 107.5 3_755 . ?
C54 C55 H55B 107.5 . . ?
P1 C55 H55B 107.5 3_755 . ?
H55A C55 H55B 107.0 . . ?
C57 C56 H56A 109.5 . . ?
C57 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C57 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C58 C57 C62 117.3(9) . . ?
C58 C57 C56 121.1(10) . . ?
C62 C57 C56 121.5(9) . . ?
C59 C58 C57 119.5(11) . . ?
C59 C58 H58 120.3 . . ?
C57 C58 H58 120.3 . . ?
C58 C59 C60 124.4(14) . . ?
C58 C59 H59 117.8 . . ?
C60 C59 H59 117.8 . . ?
C59 C60 C61 120.5(16) . . ?
C59 C60 H60 119.7 . . ?
C61 C60 H60 119.7 . . ?
C60 C61 C62 116.1(15) . . ?
C60 C61 H61 121.9 . . ?
C62 C61 H61 121.9 . . ?
C61 C62 C57 122.0(11) . . ?
C61 C62 H62 119.0 . . ?
C57 C62 H62 119.0 . . ?
C64 C63 H63A 109.5 . . ?
C64 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
C64 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C69 C64 C63 124.5(9) . . ?
C69 C64 C65 120.8(8) . . ?
C63 C64 C65 114.7(8) . . ?
C66 C65 C64 115.1(8) . . ?
C66 C65 H65 122.5 . . ?
C64 C65 H65 122.5 . . ?
C65 C66 C67 124.3(8) . . ?
C65 C66 H66 117.9 . . ?
C67 C66 H66 117.9 . . ?
C68 C67 C66 117.5(8) . . ?
C68 C67 H67 121.3 . . ?
C66 C67 H67 121.3 . . ?
C67 C68 C69 120.9(8) . . ?
C67 C68 H68 119.5 . . ?
C69 C68 H68 119.5 . . ?
C64 C69 C68 121.3(7) . . ?
C64 C69 H69 119.3 . . ?
C68 C69 H69 119.3 . . ?
C34 N1 C37 111.5(3) . . ?
C34 N1 H1 126(3) . . ?
C37 N1 H1 123(3) . . ?
C54 N2 C51 111.4(3) . . ?
C54 N2 H7 125(2) . . ?
C51 N2 H7 123(2) . . ?
C7 P1 C1 101.79(18) . . ?
C7 P1 C55 101.78(18) . 3_755 ?
C1 P1 C55 102.84(17) . 3_755 ?
C7 P1 Ni1 115.04(13) . . ?
C1 P1 Ni1 114.24(14) . . ?
C55 P1 Ni1 118.88(12) 3_755 . ?
C21 P2 C27 101.48(18) . . ?
C21 P2 C33 97.39(18) . . ?
C27 P2 C33 98.45(17) . . ?
C21 P2 Ni1 113.39(12) . . ?
C27 P2 Ni1 117.32(14) . . ?
C33 P2 Ni1 124.76(13) . . ?
C16 Ni1 C17 38.07(15) . . ?
C16 Ni1 C20 99.45(17) . . ?
C17 Ni1 C20 83.64(16) . . ?
C16 Ni1 C13 84.34(16) . . ?
C17 Ni1 C13 92.53(16) . . ?
C20 Ni1 C13 37.73(14) . . ?
C16 Ni1 P2 125.88(12) . . ?
C17 Ni1 P2 95.25(12) . . ?
C20 Ni1 P2 99.43(12) . . ?
C13 Ni1 P2 135.03(13) . . ?
C16 Ni1 P1 101.35(13) . . ?
C17 Ni1 P1 137.83(12) . . ?
C20 Ni1 P1 123.70(11) . . ?
C13 Ni1 P1 93.73(12) . . ?
P2 Ni1 P1 108.95(4) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C6 1.389(5) . ?
C1 C2 1.390(5) . ?
C1 P1 1.845(4) . ?
C2 C3 1.387(5) . ?
C2 H2 0.9300 . ?
C3 C4 1.362(6) . ?
C3 H3 0.9300 . ?
C4 C5 1.377(7) . ?
C4 H4 0.9300 . ?
C5 C6 1.381(6) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C12 1.393(6) . ?
C7 C8 1.395(5) . ?
C7 P1 1.829(4) . ?
C8 C9 1.382(6) . ?
C8 H8 0.9300 . ?
C9 C10 1.373(7) . ?
C9 H9 0.9300 . ?
C10 C11 1.371(7) . ?
C10 H10 0.9300 . ?
C11 C12 1.376(6) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C20 1.374(5) . ?
C13 C14 1.514(6) . ?
C13 Ni1 2.126(4) . ?
C13 H13 0.9800 . ?
C14 C15 1.549(6) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.511(5) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 C17 1.376(5) . ?
C16 Ni1 2.105(4) . ?
C16 H16 0.9800 . ?
C17 C18 1.515(5) . ?
C17 Ni1 2.113(4) . ?
C17 H17 0.9800 . ?
C18 C19 1.542(6) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 C20 1.505(5) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C20 Ni1 2.123(4) . ?
C20 H20 0.9800 . ?
C21 C22 1.379(6) . ?
C21 C26 1.405(5) . ?
C21 P2 1.833(4) . ?
C22 C23 1.386(6) . ?
C22 H22 0.9300 . ?
C23 C24 1.375(7) . ?
C23 H23 0.9300 . ?
C24 C25 1.375(7) . ?
C24 H24 0.9300 . ?
C25 C26 1.380(6) . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?
C27 C32 1.379(5) . ?
C27 C28 1.395(5) . ?
C27 P2 1.837(4) . ?
C28 C29 1.390(6) . ?
C28 H28 0.9300 . ?
C29 C30 1.371(7) . ?
C29 H29 0.9300 . ?
C30 C31 1.369(7) . ?
C30 H30 0.9300 . ?
C31 C32 1.395(6) . ?
C31 H31 0.9300 . ?
C32 H32 0.9300 . ?
C33 C34 1.487(5) . ?
C33 P2 1.886(4) . ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
C34 C35 1.366(5) . ?
C34 N1 1.371(5) . ?
C35 C36 1.421(5) . ?
C35 H35 0.9300 . ?
C36 C37 1.367(5) . ?
C36 H36 0.9300 . ?
C37 N1 1.375(4) . ?
C37 C38 1.524(5) . ?
C38 C51 1.531(5) . ?
C38 C45 1.538(6) . ?
C38 C39 1.548(5) . ?
C39 C40 1.377(6) . ?
C39 C44 1.399(6) . ?
C40 C41 1.396(6) . ?
C40 H40 0.9300 . ?
C41 C42 1.371(7) . ?
C41 H41 0.9300 . ?
C42 C43 1.360(8) . ?
C42 H42 0.9300 . ?
C43 C44 1.397(6) . ?
C43 H43 0.9300 . ?
C44 H44 0.9300 . ?
C45 C46 1.381(5) . ?
C45 C50 1.398(6) . ?
C46 C47 1.380(6) . ?
C46 H46 0.9300 . ?
C47 C48 1.374(7) . ?
C47 H47 0.9300 . ?
C48 C49 1.369(7) . ?
C48 H48 0.9300 . ?
C49 C50 1.377(6) . ?
C49 H49 0.9300 . ?
C50 H50 0.9300 . ?
C51 C52 1.356(5) . ?
C51 N2 1.370(5) . ?
C52 C53 1.417(5) . ?
C52 H52 0.9300 . ?
C53 C54 1.366(5) . ?
C53 H53 0.9300 . ?
C54 N2 1.360(5) . ?
C54 C55 1.500(5) . ?
C55 P1 1.868(4) 3_755 ?
C55 H55A 0.9700 . ?
C55 H55B 0.9700 . ?
C56 C57 1.475(11) . ?
C56 H56A 0.9600 . ?
C56 H56B 0.9600 . ?
C56 H56C 0.9600 . ?
C57 C58 1.359(10) . ?
C57 C62 1.410(12) . ?
C58 C59 1.310(12) . ?
C58 H58 0.9300 . ?
C59 C60 1.338(17) . ?
C59 H59 0.9300 . ?
C60 C61 1.358(18) . ?
C60 H60 0.9300 . ?
C61 C62 1.391(15) . ?
C61 H61 0.9300 . ?
C62 H62 0.9300 . ?
C63 C64 1.416(9) . ?
C63 H63A 0.9600 . ?
C63 H63B 0.9600 . ?
C63 H63C 0.9600 . ?
C64 C69 1.321(8) . ?
C64 C65 1.428(10) . ?
C65 C66 1.392(10) . ?
C65 H65 0.9300 . ?
C66 C67 1.436(10) . ?
C66 H66 0.9300 . ?
C67 C68 1.282(8) . ?
C67 H67 0.9300 . ?
C68 C69 1.461(9) . ?
C68 H68 0.9300 . ?
C69 H69 0.9300 . ?
N1 H1 0.82(3) . ?
N2 H7 0.81(3) . ?
P1 Ni1 2.1795(11) . ?
P2 Ni1 2.1672(11) . ?
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
C6 C1 C2 C3 0.6(6) . . . . ?
P1 C1 C2 C3 179.9(3) . . . . ?
C1 C2 C3 C4 -1.1(6) . . . . ?
C2 C3 C4 C5 1.0(7) . . . . ?
C3 C4 C5 C6 -0.5(7) . . . . ?
C4 C5 C6 C1 0.0(7) . . . . ?
C2 C1 C6 C5 -0.1(6) . . . . ?
P1 C1 C6 C5 -179.3(3) . . . . ?
C12 C7 C8 C9 0.4(7) . . . . ?
P1 C7 C8 C9 172.3(4) . . . . ?
C7 C8 C9 C10 0.6(8) . . . . ?
C8 C9 C10 C11 -0.5(9) . . . . ?
C9 C10 C11 C12 -0.4(9) . . . . ?
C10 C11 C12 C7 1.5(8) . . . . ?
C8 C7 C12 C11 -1.4(6) . . . . ?
P1 C7 C12 C11 -173.4(4) . . . . ?
C20 C13 C14 C15 89.4(5) . . . . ?
Ni1 C13 C14 C15 8.8(5) . . . . ?
C13 C14 C15 C16 -24.8(5) . . . . ?
C14 C15 C16 C17 -52.0(5) . . . . ?
C14 C15 C16 Ni1 28.2(4) . . . . ?
C15 C16 C17 C18 -2.3(6) . . . . ?
Ni1 C16 C17 C18 -104.3(4) . . . . ?
C15 C16 C17 Ni1 101.9(4) . . . . ?
C16 C17 C18 C19 89.5(5) . . . . ?
Ni1 C17 C18 C19 9.0(5) . . . . ?
C17 C18 C19 C20 -23.5(5) . . . . ?
C14 C13 C20 C19 -0.6(6) . . . . ?
Ni1 C13 C20 C19 103.0(4) . . . . ?
C14 C13 C20 Ni1 -103.6(4) . . . . ?
C18 C19 C20 C13 -54.3(5) . . . . ?
C18 C19 C20 Ni1 26.3(4) . . . . ?
C26 C21 C22 C23 0.6(6) . . . . ?
P2 C21 C22 C23 -172.3(4) . . . . ?
C21 C22 C23 C24 -0.1(7) . . . . ?
C22 C23 C24 C25 -0.7(8) . . . . ?
C23 C24 C25 C26 1.0(8) . . . . ?
C24 C25 C26 C21 -0.5(7) . . . . ?
C22 C21 C26 C25 -0.3(6) . . . . ?
P2 C21 C26 C25 172.5(3) . . . . ?
C32 C27 C28 C29 -0.6(6) . . . . ?
P2 C27 C28 C29 173.3(3) . . . . ?
C27 C28 C29 C30 -0.3(7) . . . . ?
C28 C29 C30 C31 0.8(7) . . . . ?
C29 C30 C31 C32 -0.5(7) . . . . ?
C28 C27 C32 C31 0.9(6) . . . . ?
P2 C27 C32 C31 -173.3(3) . . . . ?
C30 C31 C32 C27 -0.4(7) . . . . ?
P2 C33 C34 C35 -124.4(4) . . . . ?
P2 C33 C34 N1 68.4(5) . . . . ?
N1 C34 C35 C36 1.1(4) . . . . ?
C33 C34 C35 C36 -167.8(4) . . . . ?
C34 C35 C36 C37 -0.4(5) . . . . ?
C35 C36 C37 N1 -0.5(4) . . . . ?
C35 C36 C37 C38 -176.7(4) . . . . ?
C36 C37 C38 C51 -35.1(6) . . . . ?
N1 C37 C38 C51 149.2(4) . . . . ?
C36 C37 C38 C45 85.8(5) . . . . ?
N1 C37 C38 C45 -89.9(4) . . . . ?
C36 C37 C38 C39 -152.6(4) . . . . ?
N1 C37 C38 C39 31.7(5) . . . . ?
C37 C38 C39 C40 45.6(5) . . . . ?
C51 C38 C39 C40 -72.6(4) . . . . ?
C45 C38 C39 C40 166.7(4) . . . . ?
C37 C38 C39 C44 -134.6(4) . . . . ?
C51 C38 C39 C44 107.3(4) . . . . ?
C45 C38 C39 C44 -13.5(5) . . . . ?
C44 C39 C40 C41 -1.3(6) . . . . ?
C38 C39 C40 C41 178.5(4) . . . . ?
C39 C40 C41 C42 0.6(7) . . . . ?
C40 C41 C42 C43 -0.1(8) . . . . ?
C41 C42 C43 C44 0.2(8) . . . . ?
C42 C43 C44 C39 -1.0(7) . . . . ?
C40 C39 C44 C43 1.5(6) . . . . ?
C38 C39 C44 C43 -178.3(4) . . . . ?
C37 C38 C45 C46 26.0(5) . . . . ?
C51 C38 C45 C46 145.6(4) . . . . ?
C39 C38 C45 C46 -95.4(4) . . . . ?
C37 C38 C45 C50 -155.6(3) . . . . ?
C51 C38 C45 C50 -35.9(5) . . . . ?
C39 C38 C45 C50 83.0(4) . . . . ?
C50 C45 C46 C47 -1.0(6) . . . . ?
C38 C45 C46 C47 177.6(4) . . . . ?
C45 C46 C47 C48 0.9(8) . . . . ?
C46 C47 C48 C49 -0.7(8) . . . . ?
C47 C48 C49 C50 0.6(8) . . . . ?
C48 C49 C50 C45 -0.8(7) . . . . ?
C46 C45 C50 C49 0.9(6) . . . . ?
C38 C45 C50 C49 -177.6(4) . . . . ?
C37 C38 C51 C52 -95.6(5) . . . . ?
C45 C38 C51 C52 144.2(4) . . . . ?
C39 C38 C51 C52 23.5(6) . . . . ?
C37 C38 C51 N2 79.2(4) . . . . ?
C45 C38 C51 N2 -41.0(5) . . . . ?
C39 C38 C51 N2 -161.7(4) . . . . ?
N2 C51 C52 C53 0.0(5) . . . . ?
C38 C51 C52 C53 175.4(4) . . . . ?
C51 C52 C53 C54 1.3(5) . . . . ?
C52 C53 C54 N2 -2.0(5) . . . . ?
C52 C53 C54 C55 174.5(4) . . . . ?
N2 C54 C55 P1 113.1(4) . . . 3_755 ?
C53 C54 C55 P1 -62.9(6) . . . 3_755 ?
C62 C57 C58 C59 0.1(13) . . . . ?
C56 C57 C58 C59 -178.2(10) . . . . ?
C57 C58 C59 C60 1(2) . . . . ?
C58 C59 C60 C61 -4(3) . . . . ?
C59 C60 C61 C62 4(2) . . . . ?
C60 C61 C62 C57 -2.6(19) . . . . ?
C58 C57 C62 C61 0.6(14) . . . . ?
C56 C57 C62 C61 178.9(10) . . . . ?
C69 C64 C65 C66 1.4(10) . . . . ?
C63 C64 C65 C66 178.3(7) . . . . ?
C64 C65 C66 C67 -0.3(11) . . . . ?
C65 C66 C67 C68 1.0(12) . . . . ?
C66 C67 C68 C69 -2.5(10) . . . . ?
C63 C64 C69 C68 -179.6(6) . . . . ?
C65 C64 C69 C68 -3.0(10) . . . . ?
C67 C68 C69 C64 3.7(10) . . . . ?
C35 C34 N1 C37 -1.4(4) . . . . ?
C33 C34 N1 C37 168.4(3) . . . . ?
C36 C37 N1 C34 1.2(4) . . . . ?
C38 C37 N1 C34 177.8(3) . . . . ?
C53 C54 N2 C51 2.1(5) . . . . ?
C55 C54 N2 C51 -174.9(3) . . . . ?
C52 C51 N2 C54 -1.3(5) . . . . ?
C38 C51 N2 C54 -177.3(3) . . . . ?
C12 C7 P1 C1 -148.8(3) . . . . ?
C8 C7 P1 C1 39.6(4) . . . . ?
C12 C7 P1 C55 -42.9(4) . . . 3_755 ?
C8 C7 P1 C55 145.6(3) . . . 3_755 ?
C12 C7 P1 Ni1 87.1(3) . . . . ?
C8 C7 P1 Ni1 -84.5(4) . . . . ?
C6 C1 P1 C7 41.7(4) . . . . ?
C2 C1 P1 C7 -137.5(3) . . . . ?
C6 C1 P1 C55 -63.5(4) . . . 3_755 ?
C2 C1 P1 C55 117.3(3) . . . 3_755 ?
C6 C1 P1 Ni1 166.3(3) . . . . ?
C2 C1 P1 Ni1 -12.9(3) . . . . ?
C22 C21 P2 C27 -147.0(3) . . . . ?
C26 C21 P2 C27 40.4(4) . . . . ?
C22 C21 P2 C33 -46.8(4) . . . . ?
C26 C21 P2 C33 140.6(3) . . . . ?
C22 C21 P2 Ni1 86.2(3) . . . . ?
C26 C21 P2 Ni1 -86.3(3) . . . . ?
C32 C27 P2 C21 -146.1(3) . . . . ?
C28 C27 P2 C21 40.0(4) . . . . ?
C32 C27 P2 C33 114.5(3) . . . . ?
C28 C27 P2 C33 -59.4(3) . . . . ?
C32 C27 P2 Ni1 -22.0(4) . . . . ?
C28 C27 P2 Ni1 164.1(3) . . . . ?
C34 C33 P2 C21 -155.7(3) . . . . ?
C34 C33 P2 C27 -52.9(3) . . . . ?
C34 C33 P2 Ni1 79.0(3) . . . . ?
