#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/92/1529209.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_1529209
loop_
_publ_author_name
'Camp, Clément'
'Settineri, Nicholas'
'Lefèvre, Julia'
'Jupp, Andrew R.'
'Goicoechea, José M.'
'Maron, Laurent'
'Arnold, John'
_publ_section_title
;
 Uranium and thorium complexes of the phosphaethynolate ion
;
_journal_issue                   11
_journal_name_full               'Chem. Sci.'
_journal_page_first              6379
_journal_paper_doi               10.1039/C5SC02150B
_journal_volume                  6
_journal_year                    2015
_chemical_formula_sum            'C52.5 H91.5 N6 Ni O P Si6 Th'
_chemical_formula_weight         1313.07
_chemical_name_common            '[(amid)3Th(OCP)Ni(COD)].(hexane)0.75'
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2015-06-14 deposited with the CCDC.
2015-07-17 downloaded from the CCDC.
;
_cell_angle_alpha                105.8698(27)
_cell_angle_beta                 101.3208(26)
_cell_angle_gamma                96.5472(27)
_cell_formula_units_Z            4
_cell_length_a                   14.8598(10)
_cell_length_b                   19.6824(13)
_cell_length_c                   24.2681(17)
_cell_measurement_reflns_used    9658
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.37
_cell_measurement_theta_min      2.43
_cell_volume                     6587.8(8)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    SIR-92
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.366
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0308
_diffrn_reflns_av_unetI/netI     0.0223
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            171492
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.395
_diffrn_reflns_theta_min         0.898
_exptl_absorpt_coefficient_mu    2.711
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6299
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.324
_exptl_crystal_description       block
_exptl_crystal_F_000             2694
_exptl_crystal_size_max          0.600
_exptl_crystal_size_mid          0.600
_exptl_crystal_size_min          0.600
_refine_diff_density_max         3.024
_refine_diff_density_min         -3.064
_refine_diff_density_rms         0.113
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1234
_refine_ls_number_reflns         23909
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0388
_refine_ls_R_factor_gt           0.0333
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0350P)²+32.7108P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0826
_refine_ls_wR_factor_ref         0.0857
_reflns_Friedel_coverage         0.000
_reflns_number_gt                21437
_reflns_number_total             23909
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5sc02150b2.cif
_cod_data_source_block           9
_cod_depositor_comments
'Adding full bibliography for 1529203--1529209.cif.'
_cod_original_formula_sum        'C52.50 H91.50 N6 Ni O P Si6 Th'
_cod_database_code               1529209
#BEGIN Tags that were not found in dictionaries:
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.293
_shelx_estimated_absorpt_t_max   0.293
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
C1 C 0.8712(3) 0.2130(2) 0.61723(18) 0.0171(9) Uani 1 1 d . .
C2 C 0.7213(3) 0.1954(3) 0.4916(2) 0.0286(11) Uani 1 1 d . .
H2 H 0.7104 0.1438 0.4902 0.034 Uiso 1 1 calc R U
C3 C 0.6880(3) 0.2395(3) 0.5338(2) 0.0297(11) Uani 1 1 d . .
H3 H 0.6562 0.2144 0.5574 0.036 Uiso 1 1 calc R U
C4 C 0.6578(4) 0.3105(3) 0.5324(3) 0.0442(14) Uani 1 1 d . .
H4A H 0.6569 0.3385 0.5729 0.053 Uiso 1 1 calc R U
H4B H 0.5935 0.3006 0.5077 0.053 Uiso 1 1 calc R U
C5 C 0.7212(4) 0.3560(3) 0.5083(3) 0.0453(14) Uani 1 1 d . .
H5A H 0.7018 0.3397 0.4646 0.054 Uiso 1 1 calc R U
H5B H 0.7134 0.4067 0.5221 0.054 Uiso 1 1 calc R U
C6 C 0.8224(4) 0.3514(3) 0.5273(2) 0.0354(12) Uani 1 1 d . .
H6 H 0.8624 0.3973 0.5544 0.043 Uiso 1 1 calc R U
C7 C 0.8690(4) 0.3061(3) 0.4958(2) 0.0321(11) Uani 1 1 d . .
H7 H 0.9371 0.3247 0.5029 0.038 Uiso 1 1 calc R U
C8 C 0.8274(4) 0.2487(3) 0.4376(2) 0.0390(13) Uani 1 1 d . .
H8A H 0.8707 0.2144 0.4308 0.047 Uiso 1 1 calc R U
H8B H 0.8215 0.2714 0.4056 0.047 Uiso 1 1 calc R U
C9 C 0.7313(4) 0.2071(3) 0.4340(2) 0.0379(12) Uani 1 1 d . .
H9A H 0.6826 0.2338 0.4213 0.045 Uiso 1 1 calc R U
H9B H 0.7204 0.1599 0.4035 0.045 Uiso 1 1 calc R U
C10 C 0.6355(3) 0.0424(2) 0.5344(2) 0.0278(10) Uani 1 1 d . .
H10A H 0.5992 0.0459 0.4972 0.042 Uiso 1 1 calc R U
H10B H 0.5944 0.0181 0.5528 0.042 Uiso 1 1 calc R U
H10C H 0.6633 0.0907 0.5610 0.042 Uiso 1 1 calc R U
C11 C 0.8120(4) 0.0349(3) 0.4848(2) 0.0392(13) Uani 1 1 d . .
H11A H 0.7783 0.0352 0.4459 0.059 Uiso 1 1 calc R U
H11B H 0.8364 0.0844 0.5099 0.059 Uiso 1 1 calc R U
H11C H 0.8638 0.0088 0.4805 0.059 Uiso 1 1 calc R U
C12 C 0.6771(6) -0.1005(3) 0.4664(2) 0.061(2) Uani 1 1 d . .
H12A H 0.6462 -0.0952 0.4286 0.091 Uiso 1 1 calc R U
H12B H 0.7257 -0.1296 0.4605 0.091 Uiso 1 1 calc R U
H12C H 0.6311 -0.1242 0.4822 0.091 Uiso 1 1 calc R U
C13 C 0.8235(3) -0.0627(2) 0.60759(18) 0.0169(9) Uani 1 1 d . .
C14 C 0.8397(3) -0.1293(2) 0.56533(19) 0.0222(10) Uani 1 1 d . .
C15 C 0.9152(4) -0.1253(3) 0.5399(2) 0.0339(12) Uani 1 1 d . .
H15 H 0.9535 -0.0802 0.5474 0.041 Uiso 1 1 calc R U
C16 C 0.9352(4) -0.1868(3) 0.5034(2) 0.0395(14) Uani 1 1 d . .
H16 H 0.9878 -0.1838 0.4868 0.047 Uiso 1 1 calc R U
C17 C 0.8781(4) -0.2522(3) 0.4915(2) 0.0372(13) Uani 1 1 d . .
H17 H 0.8914 -0.2943 0.4665 0.045 Uiso 1 1 calc R U
C18 C 0.8017(4) -0.2565(2) 0.5158(2) 0.0314(11) Uani 1 1 d . .
H18 H 0.7623 -0.3015 0.5071 0.038 Uiso 1 1 calc R U
C19 C 0.7824(3) -0.1956(2) 0.5528(2) 0.0246(10) Uani 1 1 d . .
H19 H 0.7301 -0.1989 0.5696 0.030 Uiso 1 1 calc R U
C20 C 0.9901(4) -0.1509(3) 0.6716(3) 0.0514(16) Uani 1 1 d . .
H20A H 1.0125 -0.1832 0.6935 0.077 Uiso 1 1 calc R U
H20B H 0.9662 -0.1780 0.6298 0.077 Uiso 1 1 calc R U
H20C H 1.0416 -0.1125 0.6760 0.077 Uiso 1 1 calc R U
C21 C 0.8040(4) -0.1841(3) 0.7014(3) 0.0395(13) Uani 1 1 d . .
H21A H 0.8333 -0.2155 0.7217 0.059 Uiso 1 1 calc R U
H21B H 0.7583 -0.1633 0.7219 0.059 Uiso 1 1 calc R U
H21C H 0.7725 -0.2120 0.6606 0.059 Uiso 1 1 calc R U
C22 C 0.9421(6) -0.0584(3) 0.7803(3) 0.060(2) Uani 1 1 d . .
H22A H 0.9689 -0.0894 0.8020 0.090 Uiso 1 1 calc R U
H22B H 0.9906 -0.0183 0.7835 0.090 Uiso 1 1 calc R U
H22C H 0.8917 -0.0396 0.7969 0.090 Uiso 1 1 calc R U
C23 C 1.0272(3) 0.0877(3) 0.59622(19) 0.0270(10) Uani 1 1 d . .
H23A H 1.0719 0.0887 0.5715 0.041 Uiso 1 1 calc R U
H23B H 0.9885 0.0398 0.5834 0.041 Uiso 1 1 calc R U
H23C H 0.9873 0.1234 0.5925 0.041 Uiso 1 1 calc R U
C24 C 1.1659(3) 0.1992(3) 0.6971(2) 0.0317(11) Uani 1 1 d . .
H24A H 1.2132 0.1980 0.6740 0.048 Uiso 1 1 calc R U
H24B H 1.1272 0.2346 0.6901 0.048 Uiso 1 1 calc R U
H24C H 1.1966 0.2126 0.7391 0.048 Uiso 1 1 calc R U
C25 C 1.1666(4) 0.0400(3) 0.6798(2) 0.0313(11) Uani 1 1 d . .
H25A H 1.2143 0.0439 0.6575 0.047 Uiso 1 1 calc R U
H25B H 1.1968 0.0479 0.7213 0.047 Uiso 1 1 calc R U
H25C H 1.1281 -0.0081 0.6634 0.047 Uiso 1 1 calc R U
C26 C 1.0111(3) 0.1224(2) 0.77070(18) 0.0161(8) Uani 1 1 d . .
C27 C 1.1050(3) 0.1492(3) 0.81316(19) 0.0228(10) Uani 1 1 d . .
C28 C 1.1366(4) 0.2223(3) 0.8394(2) 0.0347(12) Uani 1 1 d . .
H28 H 1.0989 0.2556 0.8305 0.042 Uiso 1 1 calc R U
C29 C 1.2242(4) 0.2471(3) 0.8789(3) 0.0502(17) Uani 1 1 d . .
H29 H 1.2460 0.2972 0.8968 0.060 Uiso 1 1 calc R U
C30 C 1.2781(4) 0.1991(4) 0.8917(3) 0.0510(17) Uani 1 1 d . .
H30 H 1.3371 0.2162 0.9190 0.061 Uiso 1 1 calc R U
C31 C 1.2484(4) 0.1267(4) 0.8659(2) 0.0446(15) Uani 1 1 d . .
H31 H 1.2867 0.0939 0.8750 0.053 Uiso 1 1 calc R U
C32 C 1.1615(3) 0.1013(3) 0.8259(2) 0.0317(11) Uani 1 1 d . .
H32 H 1.1410 0.0512 0.8075 0.038 Uiso 1 1 calc R U
C33 C 0.8012(4) 0.0916(3) 0.8564(2) 0.0379(13) Uani 1 1 d . .
H33A H 0.7899 0.0989 0.8959 0.057 Uiso 1 1 calc R U
H33B H 0.7580 0.1140 0.8340 0.057 Uiso 1 1 calc R U
H33C H 0.7916 0.0400 0.8359 0.057 Uiso 1 1 calc R U
C34 C 0.9376(4) 0.2307(3) 0.9040(2) 0.0345(12) Uani 1 1 d . .
H34A H 0.9308 0.2361 0.9442 0.052 Uiso 1 1 calc R U
H34B H 0.9996 0.2550 0.9053 0.052 Uiso 1 1 calc R U
H34C H 0.8899 0.2520 0.8838 0.052 Uiso 1 1 calc R U
C35 C 1.0065(4) 0.0967(3) 0.9100(2) 0.0365(12) Uani 1 1 d . .
H35A H 0.9956 0.1086 0.9498 0.055 Uiso 1 1 calc R U
H35B H 0.9976 0.0445 0.8931 0.055 Uiso 1 1 calc R U
H35C H 1.0704 0.1180 0.9120 0.055 Uiso 1 1 calc R U
C36 C 0.8732(3) 0.2896(2) 0.7732(2) 0.0236(10) Uani 1 1 d . .
H36A H 0.8856 0.3420 0.7892 0.035 Uiso 1 1 calc R U
H36B H 0.9054 0.2692 0.8025 0.035 Uiso 1 1 calc R U
H36C H 0.8959 0.2751 0.7372 0.035 Uiso 1 1 calc R U
C37 C 0.6994(3) 0.2844(2) 0.8234(2) 0.0262(10) Uani 1 1 d . .
H37A H 0.7080 0.3369 0.8374 0.039 Uiso 1 1 calc R U
H37B H 0.6328 0.2642 0.8141 0.039 Uiso 1 1 calc R U
H37C H 0.7334 0.2671 0.8542 0.039 Uiso 1 1 calc R U
C38 C 0.6885(4) 0.2962(3) 0.7000(2) 0.0331(11) Uani 1 1 d . .
H38A H 0.6974 0.3484 0.7175 0.050 Uiso 1 1 calc R U
H38B H 0.7165 0.2852 0.6660 0.050 Uiso 1 1 calc R U
H38C H 0.6216 0.2764 0.6871 0.050 Uiso 1 1 calc R U
C39 C 0.6594(3) 0.1118(2) 0.72010(17) 0.0144(8) Uani 1 1 d . .
C40 C 0.5709(3) 0.1301(2) 0.73669(18) 0.0160(8) Uani 1 1 d . .
C41 C 0.5521(3) 0.1214(2) 0.78829(19) 0.0194(9) Uani 1 1 d . .
H41 H 0.5959 0.1052 0.8136 0.023 Uiso 1 1 calc R U
C42 C 0.4686(3) 0.1366(2) 0.8031(2) 0.0236(10) Uani 1 1 d . .
H42 H 0.4557 0.1308 0.8386 0.028 Uiso 1 1 calc R U
C43 C 0.4046(3) 0.1601(2) 0.7658(2) 0.0272(10) Uani 1 1 d . .
H43 H 0.3475 0.1698 0.7755 0.033 Uiso 1 1 calc R U
C44 C 0.4242(3) 0.1695(2) 0.7147(2) 0.0270(10) Uani 1 1 d . .
H44 H 0.3804 0.1859 0.6894 0.032 Uiso 1 1 calc R U
C45 C 0.5073(3) 0.1552(2) 0.7000(2) 0.0213(9) Uani 1 1 d . .
H45 H 0.5207 0.1625 0.6652 0.026 Uiso 1 1 calc R U
C46 C 0.5935(4) -0.0592(3) 0.7518(2) 0.0361(12) Uani 1 1 d . .
H46A H 0.5463 -0.1016 0.7449 0.054 Uiso 1 1 calc R U
H46B H 0.6558 -0.0704 0.7629 0.054 Uiso 1 1 calc R U
H46C H 0.5843 -0.0197 0.7837 0.054 Uiso 1 1 calc R U
C47 C 0.6051(4) -0.1064(2) 0.6243(2) 0.0317(11) Uani 1 1 d . .
H47A H 0.5582 -0.1494 0.6162 0.047 Uiso 1 1 calc R U
H47B H 0.6018 -0.0922 0.5884 0.047 Uiso 1 1 calc R U
H47C H 0.6673 -0.1168 0.6374 0.047 Uiso 1 1 calc R U
C48 C 0.4591(3) -0.0219(3) 0.6557(2) 0.0328(12) Uani 1 1 d . .
H48A H 0.4168 -0.0668 0.6494 0.049 Uiso 1 1 calc R U
H48B H 0.4429 0.0171 0.6849 0.049 Uiso 1 1 calc R U
H48C H 0.4532 -0.0106 0.6184 0.049 Uiso 1 1 calc R U
C50 C 0.5764(3) 0.6424(3) 0.9111(2) 0.0327(12) Uani 1 1 d . .
C51 C 0.7430(4) 0.6887(3) 0.8480(3) 0.0491(15) Uani 1 1 d . .
H51 H 0.6915 0.7041 0.8237 0.059 Uiso 1 1 calc R U
C52 C 0.7341(4) 0.6148(3) 0.8369(3) 0.0448(14) Uani 1 1 d . .
H52 H 0.6782 0.5863 0.8053 0.054 Uiso 1 1 calc R U
C53 C 0.8143(4) 0.5754(4) 0.8453(3) 0.0528(16) Uani 1 1 d . .
H53A H 0.8443 0.5714 0.8118 0.063 Uiso 1 1 calc R U
H53B H 0.7897 0.5261 0.8445 0.063 Uiso 1 1 calc R U
C54 C 0.8890(4) 0.6118(4) 0.9034(3) 0.0549(17) Uani 1 1 d . .
H54A H 0.9229 0.5752 0.9143 0.066 Uiso 1 1 calc R U
H54B H 0.9346 0.6477 0.8968 0.066 Uiso 1 1 calc R U
C55 C 0.8495(4) 0.6482(4) 0.9536(3) 0.0522(16) Uani 1 1 d . .
H55 H 0.8579 0.6273 0.9871 0.063 Uiso 1 1 calc R U
C56 C 0.8401(4) 0.7194(4) 0.9687(3) 0.0608(19) Uani 1 1 d . .
H56 H 0.8441 0.7423 1.0115 0.073 Uiso 1 1 calc R U
C57 C 0.8657(5) 0.7711(4) 0.9353(3) 0.067(2) Uani 1 1 d . .
H57A H 0.8376 0.8143 0.9481 0.081 Uiso 1 1 calc R U
H57B H 0.9342 0.7866 0.9464 0.081 Uiso 1 1 calc R U
C58 C 0.8347(5) 0.7411(4) 0.8686(3) 0.0595(18) Uani 1 1 d . .
H58A H 0.8835 0.7166 0.8536 0.071 Uiso 1 1 calc R U
H58B H 0.8280 0.7813 0.8518 0.071 Uiso 1 1 calc R U
C59 C 0.5770(4) 0.7923(3) 0.8152(2) 0.0333(11) Uani 1 1 d . .
H59A H 0.6308 0.8030 0.7992 0.050 Uiso 1 1 calc R U
H59B H 0.5517 0.8362 0.8284 0.050 Uiso 1 1 calc R U
H59C H 0.5967 0.7743 0.8486 0.050 Uiso 1 1 calc R U
C60 C 0.5276(3) 0.6361(2) 0.7348(2) 0.0287(11) Uani 1 1 d . .
H60A H 0.5823 0.6430 0.7187 0.043 Uiso 1 1 calc R U
H60B H 0.5446 0.6196 0.7694 0.043 Uiso 1 1 calc R U
H60C H 0.4781 0.6002 0.7048 0.043 Uiso 1 1 calc R U
C61 C 0.4552(4) 0.7516(3) 0.6888(2) 0.0309(11) Uani 1 1 d . .
H61A H 0.5119 0.7619 0.6755 0.046 Uiso 1 1 calc R U
H61B H 0.4107 0.7130 0.6576 0.046 Uiso 1 1 calc R U
H61C H 0.4272 0.7948 0.6979 0.046 Uiso 1 1 calc R U
C62 C 0.3195(3) 0.7388(2) 0.79320(17) 0.0173(9) Uani 1 1 d . .
C63 C 0.3212(3) 0.8114(2) 0.78442(19) 0.0204(9) Uani 1 1 d . .
C64 C 0.2641(3) 0.8200(2) 0.7348(2) 0.0241(10) Uani 1 1 d . .
H64 H 0.2241 0.7795 0.7059 0.029 Uiso 1 1 calc R U
C65 C 0.2653(3) 0.8878(3) 0.7275(2) 0.0278(10) Uani 1 1 d . .
H65 H 0.2265 0.8935 0.6935 0.033 Uiso 1 1 calc R U
C66 C 0.3228(4) 0.9467(2) 0.7693(2) 0.0312(11) Uani 1 1 d . .
H66 H 0.3233 0.9929 0.7642 0.037 Uiso 1 1 calc R U
C67 C 0.3799(4) 0.9388(2) 0.8189(2) 0.0317(11) Uani 1 1 d . .
H67 H 0.4195 0.9796 0.8477 0.038 Uiso 1 1 calc R U
C68 C 0.3792(3) 0.8715(2) 0.8263(2) 0.0251(10) Uani 1 1 d . .
H68 H 0.4185 0.8663 0.8603 0.030 Uiso 1 1 calc R U
C69 C 0.1103(3) 0.7059(3) 0.8793(2) 0.0309(11) Uani 1 1 d . .
H69A H 0.0543 0.7244 0.8877 0.046 Uiso 1 1 calc R U
H69B H 0.0955 0.6534 0.8633 0.046 Uiso 1 1 calc R U
H69C H 0.1594 0.7197 0.9158 0.046 Uiso 1 1 calc R U
C70 C 0.1670(4) 0.8435(3) 0.8567(3) 0.0417(14) Uani 1 1 d . .
H70A H 0.1073 0.8572 0.8623 0.063 Uiso 1 1 calc R U
H70B H 0.2127 0.8591 0.8948 0.063 Uiso 1 1 calc R U
H70C H 0.1894 0.8666 0.8297 0.063 Uiso 1 1 calc R U
C71 C 0.0560(4) 0.7121(3) 0.7559(3) 0.0407(13) Uani 1 1 d . .
H71A H 0.0004 0.7316 0.7635 0.061 Uiso 1 1 calc R U
H71B H 0.0766 0.7285 0.7249 0.061 Uiso 1 1 calc R U
H71C H 0.0413 0.6596 0.7430 0.061 Uiso 1 1 calc R U
C72 C 0.4479(4) 0.7806(3) 0.9686(2) 0.0346(12) Uani 1 1 d . .
H72A H 0.4804 0.8219 1.0026 0.052 Uiso 1 1 calc R U
H72B H 0.4938 0.7552 0.9516 0.052 Uiso 1 1 calc R U
H72C H 0.4097 0.7972 0.9389 0.052 Uiso 1 1 calc R U
C73 C 0.2873(4) 0.7709(3) 1.0258(2) 0.0381(13) Uani 1 1 d . .
H73A H 0.3212 0.8093 1.0615 0.057 Uiso 1 1 calc R U
H73B H 0.2546 0.7918 0.9971 0.057 Uiso 1 1 calc R U
H73C H 0.2420 0.7389 1.0358 0.057 Uiso 1 1 calc R U
C74 C 0.4388(4) 0.6891(3) 1.0528(2) 0.0408(13) Uani 1 1 d . .
H74A H 0.4665 0.7309 1.0874 0.061 Uiso 1 1 calc R U
H74B H 0.3971 0.6553 1.0635 0.061 Uiso 1 1 calc R U
H74C H 0.4885 0.6656 1.0389 0.061 Uiso 1 1 calc R U
C75 C 0.2496(3) 0.5933(2) 0.91907(18) 0.0151(8) Uani 1 1 d . .
C76 C 0.2121(3) 0.5802(2) 0.96933(18) 0.0177(9) Uani 1 1 d . .
C77 C 0.1295(3) 0.6024(2) 0.9798(2) 0.0240(10) Uani 1 1 d . .
H77 H 0.0975 0.6270 0.9556 0.029 Uiso 1 1 calc R U
C78 C 0.0939(4) 0.5890(3) 1.0249(2) 0.0303(11) Uani 1 1 d . .
H78 H 0.0381 0.6049 1.0320 0.036 Uiso 1 1 calc R U
C79 C 0.1394(4) 0.5526(3) 1.0598(2) 0.0330(12) Uani 1 1 d . .
H79 H 0.1148 0.5432 1.0908 0.040 Uiso 1 1 calc R U
C80 C 0.2206(4) 0.5299(3) 1.0493(2) 0.0345(12) Uani 1 1 d . .
H80 H 0.2515 0.5041 1.0729 0.041 Uiso 1 1 calc R U
C81 C 0.2574(3) 0.5443(3) 1.0047(2) 0.0262(10) Uani 1 1 d . .
H81 H 0.3142 0.5295 0.9985 0.031 Uiso 1 1 calc R U
C82 C 0.1022(4) 0.4278(3) 0.8905(2) 0.0387(13) Uani 1 1 d . .
H82A H 0.0508 0.3871 0.8709 0.058 Uiso 1 1 calc R U
H82B H 0.1582 0.4103 0.9056 0.058 Uiso 1 1 calc R U
H82C H 0.0850 0.4611 0.9233 0.058 Uiso 1 1 calc R U
C83 C 0.0187(4) 0.5042(3) 0.8039(4) 0.066(2) Uani 1 1 d . .
H83A H -0.0327 0.4630 0.7882 0.098 Uiso 1 1 calc R U
H83B H 0.0025 0.5417 0.8343 0.098 Uiso 1 1 calc R U
H83C H 0.0296 0.5231 0.7719 0.098 Uiso 1 1 calc R U
C84 C 0.1561(4) 0.4078(2) 0.7762(2) 0.0312(11) Uani 1 1 d . .
H84A H 0.1059 0.3657 0.7604 0.047 Uiso 1 1 calc R U
H84B H 0.1638 0.4286 0.7447 0.047 Uiso 1 1 calc R U
H84C H 0.2144 0.3933 0.7915 0.047 Uiso 1 1 calc R U
C85 C 0.4318(4) 0.4735(3) 0.9094(2) 0.0344(12) Uani 1 1 d . .
H85A H 0.4653 0.4477 0.9338 0.052 Uiso 1 1 calc R U
H85B H 0.4570 0.5250 0.9257 0.052 Uiso 1 1 calc R U
H85C H 0.3654 0.4652 0.9091 0.052 Uiso 1 1 calc R U
C86 C 0.5714(4) 0.4544(3) 0.8316(2) 0.0387(13) Uani 1 1 d . .
H86A H 0.6041 0.4252 0.8528 0.058 Uiso 1 1 calc R U
H86B H 0.5772 0.4404 0.7907 0.058 Uiso 1 1 calc R U
H86C H 0.5990 0.5052 0.8507 0.058 Uiso 1 1 calc R U
C87 C 0.4015(5) 0.3425(3) 0.8027(2) 0.0446(15) Uani 1 1 d . .
H87A H 0.4398 0.3173 0.8254 0.067 Uiso 1 1 calc R U
H87B H 0.3367 0.3326 0.8056 0.067 Uiso 1 1 calc R U
H87C H 0.4045 0.3258 0.7613 0.067 Uiso 1 1 calc R U
C88 C 0.3463(3) 0.4802(2) 0.73872(17) 0.0153(8) Uani 1 1 d . .
C89 C 0.3695(3) 0.4198(2) 0.69378(18) 0.0186(9) Uani 1 1 d . .
C90 C 0.4561(3) 0.4273(2) 0.68038(19) 0.0250(10) Uani 1 1 d . .
H90 H 0.4999 0.4705 0.6995 0.030 Uiso 1 1 calc R U
C91 C 0.4791(4) 0.3717(3) 0.6391(2) 0.0302(11) Uani 1 1 d . .
H91 H 0.5380 0.3775 0.6295 0.036 Uiso 1 1 calc R U
C92 C 0.4165(4) 0.3082(3) 0.6120(2) 0.0325(12) Uani 1 1 d . .
H92 H 0.4324 0.2701 0.5841 0.039 Uiso 1 1 calc R U
C93 C 0.3309(4) 0.3003(2) 0.6255(2) 0.0301(11) Uani 1 1 d . .
H93 H 0.2880 0.2564 0.6070 0.036 Uiso 1 1 calc R U
C94 C 0.3067(3) 0.3559(2) 0.66590(19) 0.0228(9) Uani 1 1 d . .
H94 H 0.2472 0.3501 0.6745 0.027 Uiso 1 1 calc R U
C95 C 0.2962(4) 0.4939(3) 0.5941(2) 0.0328(11) Uani 1 1 d . .
H95A H 0.2574 0.4932 0.5563 0.049 Uiso 1 1 calc R U
H95B H 0.3544 0.5281 0.6036 0.049 Uiso 1 1 calc R U
H95C H 0.3104 0.4458 0.5915 0.049 Uiso 1 1 calc R U
C96 C 0.1164(3) 0.4604(3) 0.6325(2) 0.0304(11) Uani 1 1 d . .
H96A H 0.0829 0.4588 0.5930 0.046 Uiso 1 1 calc R U
H96B H 0.1262 0.4120 0.6326 0.046 Uiso 1 1 calc R U
H96C H 0.0796 0.4784 0.6610 0.046 Uiso 1 1 calc R U
C97 C 0.2097(4) 0.6132(3) 0.6567(2) 0.0309(11) Uani 1 1 d . .
H97A H 0.1755 0.6131 0.6178 0.046 Uiso 1 1 calc R U
H97B H 0.1727 0.6285 0.6856 0.046 Uiso 1 1 calc R U
H97C H 0.2693 0.6464 0.6684 0.046 Uiso 1 1 calc R U
C100 C 0.0631(7) 0.4264(7) 0.4596(5) 0.112(4) Uani 1 1 d . .
H10D H 0.0020 0.4270 0.4690 0.168 Uiso 1 1 calc R U
H10E H 0.1026 0.4064 0.4863 0.168 Uiso 1 1 calc R U
H10F H 0.0927 0.4754 0.4644 0.168 Uiso 1 1 calc R U
C101 C 0.0532(9) 0.3881(11) 0.4070(6) 0.195(9) Uani 1 1 d . .
H10G H 0.0102 0.4085 0.3819 0.233 Uiso 1 1 calc R U
H10H H 0.0200 0.3400 0.4036 0.233 Uiso 1 1 calc R U
C102 C 0.1334(7) 0.3765(6) 0.3797(5) 0.099(3) Uani 1 1 d . .
H10I H 0.1845 0.3663 0.4075 0.119 Uiso 1 1 calc R U
H10J H 0.1143 0.3349 0.3435 0.119 Uiso 1 1 calc R U
C103 C 0.1656(6) 0.4402(4) 0.3653(5) 0.087(3) Uani 1 1 d . .
H10K H 0.1945 0.4791 0.4025 0.105 Uiso 1 1 calc R U
H10L H 0.1108 0.4556 0.3448 0.105 Uiso 1 1 calc R U
C104 C 0.2340(9) 0.4314(7) 0.3276(5) 0.129(4) Uani 1 1 d . .
H10M H 0.2034 0.3956 0.2890 0.154 Uiso 1 1 calc R U
H10N H 0.2864 0.4123 0.3465 0.154 Uiso 1 1 calc R U
C105 C 0.2723(10) 0.4996(6) 0.3173(6) 0.150(6) Uani 1 1 d . .
H10O H 0.3166 0.4899 0.2923 0.225 Uiso 1 1 calc R U
H10P H 0.2211 0.5184 0.2977 0.225 Uiso 1 1 calc R U
H10Q H 0.3042 0.5351 0.3552 0.225 Uiso 1 1 calc R U
C110 C 0.5900(5) 0.6652(4) 0.5626(3) 0.0587(17) Uani 1 1 d . .
H11D H 0.5857 0.7001 0.5992 0.088 Uiso 1 1 calc R U
H11E H 0.6550 0.6590 0.5649 0.088 Uiso 1 1 calc R U
H11F H 0.5680 0.6826 0.5291 0.088 Uiso 1 1 calc R U
C111 C 0.5318(7) 0.5958(4) 0.5547(4) 0.086(3) Uani 1 1 d . .
H11G H 0.5540 0.5812 0.5902 0.103 Uiso 1 1 calc R U
H11H H 0.4675 0.6047 0.5546 0.103 Uiso 1 1 calc R U
C112 C 0.5258(5) 0.5359(3) 0.5048(3) 0.0587(18) Uani 1 1 d . .
H11I H 0.5908 0.5301 0.5037 0.070 Uiso 1 1 calc R U
H11J H 0.5003 0.5504 0.4697 0.070 Uiso 1 1 calc R U
N1 N 0.7881(3) -0.01187(18) 0.58863(15) 0.0184(8) Uani 1 1 d . .
N2 N 0.8484(2) -0.05196(18) 0.66571(15) 0.0178(7) Uani 1 1 d . .
N3 N 1.0037(2) 0.10526(18) 0.71290(15) 0.0167(7) Uani 1 1 d . .
N4 N 0.9335(2) 0.11606(19) 0.78978(15) 0.0184(7) Uani 1 1 d . .
N5 N 0.7321(2) 0.16266(17) 0.72797(15) 0.0151(7) Uani 1 1 d . .
N6 N 0.6671(2) 0.04354(18) 0.69672(15) 0.0180(7) Uani 1 1 d . .
N7 N 0.3889(2) 0.70310(18) 0.78412(15) 0.0178(7) Uani 1 1 d . .
N8 N 0.2508(2) 0.70909(18) 0.81154(16) 0.0194(8) Uani 1 1 d . .
N9 N 0.3187(2) 0.64815(18) 0.92882(15) 0.0155(7) Uani 1 1 d . .
N10 N 0.2163(2) 0.55012(18) 0.86413(15) 0.0164(7) Uani 1 1 d . .
N11 N 0.3830(2) 0.49117(18) 0.79572(15) 0.0168(7) Uani 1 1 d . .
N12 N 0.2928(2) 0.52499(17) 0.72392(14) 0.0155(7) Uani 1 1 d . .
O1 O 0.8382(2) 0.15850(15) 0.63141(12) 0.0169(6) Uani 1 1 d . .
O2 O 0.5013(2) 0.63461(16) 0.87334(13) 0.0230(7) Uani 1 1 d . .
Si1 Si 0.73062(11) -0.01031(7) 0.51928(5) 0.0280(3) Uani 1 1 d . .
Si2 Si 0.89470(10) -0.11100(7) 0.70124(6) 0.0258(3) Uani 1 1 d . .
Si3 Si 1.09111(8) 0.10889(6) 0.67415(5) 0.0185(2) Uani 1 1 d . .
Si4 Si 0.92289(9) 0.13295(7) 0.86288(5) 0.0228(3) Uani 1 1 d . .
Si5 Si 0.74502(8) 0.25595(6) 0.75575(5) 0.0172(2) Uani 1 1 d . .
Si6 Si 0.58219(9) -0.03230(6) 0.68320(6) 0.0221(3) Uani 1 1 d . .
Si7 Si 0.48522(9) 0.72282(6) 0.75659(5) 0.0213(3) Uani 1 1 d . .
Si8 Si 0.15105(9) 0.74384(7) 0.82483(6) 0.0249(3) Uani 1 1 d . .
Si9 Si 0.37159(9) 0.71856(6) 0.99315(5) 0.0200(2) Uani 1 1 d . .
Si10 Si 0.12597(8) 0.47534(6) 0.83648(5) 0.0194(2) Uani 1 1 d . .
Si11 Si 0.44626(9) 0.44036(6) 0.83293(5) 0.0233(3) Uani 1 1 d . .
Si12 Si 0.23177(8) 0.52141(6) 0.65340(5) 0.0191(2) Uani 1 1 d . .
P1 P 0.95847(8) 0.27998(6) 0.62929(5) 0.0232(2) Uani 1 1 d . .
P2 P 0.62512(11) 0.64189(10) 0.98015(7) 0.0484(4) Uani 1 1 d . .
Ni1 Ni 0.83216(4) 0.25972(3) 0.56037(2) 0.02036(12) Uani 1 1 d . .
Ni2 Ni 0.70678(5) 0.65765(4) 0.91855(3) 0.04446(18) Uani 1 1 d . .
Th1 Th 0.83080(2) 0.08075(2) 0.68547(2) 0.01170(4) Uani 1 1 d . .
Th2 Th 0.34547(2) 0.61082(2) 0.82912(2) 0.01278(4) Uani 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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 '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'
Th Th -7.2400 8.8979 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O1 C1 P1 148.1(3) . .
O1 C1 Ni1 136.9(3) . .
P1 C1 Ni1 74.93(17) . .
C3 C2 C9 125.9(5) . .
C3 C2 Ni1 69.9(3) . .
C9 C2 Ni1 110.0(3) . .
C3 C2 H2 114.1 . .
C9 C2 H2 114.1 . .
Ni1 C2 H2 114.1 . .
C2 C3 C4 126.2(5) . .
C2 C3 Ni1 71.9(3) . .
C4 C3 Ni1 106.9(3) . .
C2 C3 H3 114.3 . .
C4 C3 H3 114.3 . .
Ni1 C3 H3 114.3 . .
C3 C4 C5 113.6(5) . .
C3 C4 H4A 108.8 . .
C5 C4 H4A 108.8 . .
C3 C4 H4B 108.8 . .
C5 C4 H4B 108.8 . .
H4A C4 H4B 107.7 . .
C6 C5 C4 112.4(4) . .
C6 C5 H5A 109.1 . .
C4 C5 H5A 109.1 . .
C6 C5 H5B 109.1 . .
C4 C5 H5B 109.1 . .
H5A C5 H5B 107.9 . .
C7 C6 C5 125.5(5) . .
C7 C6 Ni1 70.5(3) . .
C5 C6 Ni1 109.0(3) . .
C7 C6 H6 114.3 . .
C5 C6 H6 114.3 . .
Ni1 C6 H6 114.3 . .
C6 C7 C8 126.1(5) . .
C6 C7 Ni1 72.9(3) . .
C8 C7 Ni1 104.5(3) . .
C6 C7 H7 114.6 . .
C8 C7 H7 114.6 . .
Ni1 C7 H7 114.6 . .
C7 C8 C9 113.9(4) . .
C7 C8 H8A 108.8 . .
C9 C8 H8A 108.8 . .
C7 C8 H8B 108.8 . .
C9 C8 H8B 108.8 . .
H8A C8 H8B 107.7 . .
C2 C9 C8 113.4(4) . .
C2 C9 H9A 108.9 . .
C8 C9 H9A 108.9 . .
C2 C9 H9B 108.9 . .
C8 C9 H9B 108.9 . .
H9A C9 H9B 107.7 . .
Si1 C10 H10A 109.5 . .
Si1 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
Si1 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
Si1 C11 H11A 109.5 . .
Si1 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
Si1 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
Si1 C12 H12A 109.5 . .
Si1 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
Si1 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
N1 C13 N2 118.3(4) . .
N1 C13 C14 121.4(4) . .
N2 C13 C14 120.3(4) . .
N1 C13 Th1 57.2(2) . .
N2 C13 Th1 62.2(2) . .
C14 C13 Th1 167.2(3) . .
C15 C14 C19 119.3(4) . .
C15 C14 C13 119.3(4) . .
C19 C14 C13 121.4(4) . .
C14 C15 C16 120.6(5) . .
C14 C15 H15 119.7 . .
C16 C15 H15 119.7 . .
C17 C16 C15 119.6(5) . .
C17 C16 H16 120.2 . .
C15 C16 H16 120.2 . .
C18 C17 C16 120.1(4) . .
C18 C17 H17 119.9 . .
C16 C17 H17 119.9 . .
C17 C18 C19 120.4(5) . .
C17 C18 H18 119.8 . .
C19 C18 H18 119.8 . .
C18 C19 C14 120.0(5) . .
C18 C19 H19 120.0 . .
C14 C19 H19 120.0 . .
Si2 C20 H20A 109.5 . .
Si2 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
Si2 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
Si2 C21 H21A 109.5 . .
Si2 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
Si2 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
Si2 C22 H22A 109.5 . .
Si2 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
Si2 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
Si3 C23 H23A 109.5 . .
Si3 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
Si3 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
Si3 C24 H24A 109.5 . .
Si3 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
Si3 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
Si3 C25 H25A 109.5 . .
Si3 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
Si3 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
N3 C26 N4 118.3(4) . .
N3 C26 C27 120.5(4) . .
N4 C26 C27 121.2(4) . .
N3 C26 Th1 57.7(2) . .
N4 C26 Th1 60.7(2) . .
C27 C26 Th1 175.5(3) . .
C32 C27 C28 119.4(4) . .
C32 C27 C26 120.5(4) . .
C28 C27 C26 120.1(4) . .
C27 C28 C29 119.9(5) . .
C27 C28 H28 120.0 . .
C29 C28 H28 120.0 . .
C30 C29 C28 119.9(6) . .
C30 C29 H29 120.1 . .
C28 C29 H29 120.1 . .
C29 C30 C31 121.0(5) . .
C29 C30 H30 119.5 . .
C31 C30 H30 119.5 . .
C30 C31 C32 119.7(6) . .
C30 C31 H31 120.1 . .
C32 C31 H31 120.1 . .
C27 C32 C31 120.1(5) . .
C27 C32 H32 120.0 . .
C31 C32 H32 120.0 . .
Si4 C33 H33A 109.5 . .
Si4 C33 H33B 109.5 . .
H33A C33 H33B 109.5 . .
Si4 C33 H33C 109.5 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
Si4 C34 H34A 109.5 . .
Si4 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
Si4 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
Si4 C35 H35A 109.5 . .
Si4 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
Si4 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
Si5 C36 H36A 109.5 . .
Si5 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
Si5 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
Si5 C37 H37A 109.5 . .
Si5 C37 H37B 109.5 . .
H37A C37 H37B 109.5 . .
Si5 C37 H37C 109.5 . .
H37A C37 H37C 109.5 . .
H37B C37 H37C 109.5 . .
Si5 C38 H38A 109.5 . .
Si5 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
Si5 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
N5 C39 N6 118.0(4) . .
N5 C39 C40 121.4(3) . .
N6 C39 C40 120.6(3) . .
N5 C39 Th1 57.1(2) . .
N6 C39 Th1 61.0(2) . .
C40 C39 Th1 177.7(3) . .
C41 C40 C45 119.8(4) . .
C41 C40 C39 119.9(4) . .
C45 C40 C39 120.2(4) . .
C40 C41 C42 120.1(4) . .
C40 C41 H41 120.0 . .
C42 C41 H41 120.0 . .
C43 C42 C41 119.8(4) . .
C43 C42 H42 120.1 . .
C41 C42 H42 120.1 . .
C44 C43 C42 120.0(4) . .
C44 C43 H43 120.0 . .
C42 C43 H43 120.0 . .
C43 C44 C45 120.5(4) . .
C43 C44 H44 119.7 . .
C45 C44 H44 119.7 . .
C44 C45 C40 119.8(4) . .
C44 C45 H45 120.1 . .
C40 C45 H45 120.1 . .
Si6 C46 H46A 109.5 . .
Si6 C46 H46B 109.5 . .
H46A C46 H46B 109.5 . .
Si6 C46 H46C 109.5 . .
H46A C46 H46C 109.5 . .
H46B C46 H46C 109.5 . .
Si6 C47 H47A 109.5 . .
Si6 C47 H47B 109.5 . .
H47A C47 H47B 109.5 . .
Si6 C47 H47C 109.5 . .
H47A C47 H47C 109.5 . .
H47B C47 H47C 109.5 . .
Si6 C48 H48A 109.5 . .
Si6 C48 H48B 109.5 . .
H48A C48 H48B 109.5 . .
Si6 C48 H48C 109.5 . .
H48A C48 H48C 109.5 . .
H48B C48 H48C 109.5 . .
O2 C50 P2 145.7(4) . .
O2 C50 Ni2 140.1(4) . .
P2 C50 Ni2 74.1(2) . .
C52 C51 C58 125.2(6) . .
C52 C51 Ni2 69.1(3) . .
C58 C51 Ni2 111.1(4) . .
C52 C51 H51 114.2 . .
C58 C51 H51 114.2 . .
Ni2 C51 H51 114.2 . .
C51 C52 C53 124.8(6) . .
C51 C52 Ni2 72.1(4) . .
C53 C52 Ni2 107.9(4) . .
C51 C52 H52 114.5 . .
C53 C52 H52 114.5 . .
Ni2 C52 H52 114.5 . .
C52 C53 C54 113.8(6) . .
C52 C53 H53A 108.8 . .
C54 C53 H53A 108.8 . .
C52 C53 H53B 108.8 . .
C54 C53 H53B 108.8 . .
H53A C53 H53B 107.7 . .
C55 C54 C53 113.4(5) . .
C55 C54 H54A 108.9 . .
C53 C54 H54A 108.9 . .
C55 C54 H54B 108.9 . .
C53 C54 H54B 108.9 . .
H54A C54 H54B 107.7 . .
C56 C55 C54 124.7(6) . .
C56 C55 Ni2 70.1(4) . .
C54 C55 Ni2 108.7(4) . .
C56 C55 H55 114.8 . .
C54 C55 H55 114.8 . .
Ni2 C55 H55 114.8 . .
C55 C56 C57 124.5(7) . .
C55 C56 Ni2 72.7(4) . .
C57 C56 Ni2 105.5(4) . .
C55 C56 H56 115.0 . .
C57 C56 H56 115.0 . .
Ni2 C56 H56 115.0 . .
C58 C57 C56 115.1(6) . .
C58 C57 H57A 108.5 . .
C56 C57 H57A 108.5 . .
C58 C57 H57B 108.5 . .
C56 C57 H57B 108.5 . .
H57A C57 H57B 107.5 . .
C57 C58 C51 112.6(6) . .
C57 C58 H58A 109.1 . .
C51 C58 H58A 109.1 . .
C57 C58 H58B 109.1 . .
C51 C58 H58B 109.1 . .
H58A C58 H58B 107.8 . .
Si7 C59 H59A 109.5 . .
Si7 C59 H59B 109.5 . .
H59A C59 H59B 109.5 . .
Si7 C59 H59C 109.5 . .
H59A C59 H59C 109.5 . .
H59B C59 H59C 109.5 . .
Si7 C60 H60A 109.5 . .
Si7 C60 H60B 109.5 . .
H60A C60 H60B 109.5 . .
Si7 C60 H60C 109.5 . .
H60A C60 H60C 109.5 . .
H60B C60 H60C 109.5 . .
Si7 C61 H61A 109.5 . .
Si7 C61 H61B 109.5 . .
H61A C61 H61B 109.5 . .
Si7 C61 H61C 109.5 . .
H61A C61 H61C 109.5 . .
H61B C61 H61C 109.5 . .
N8 C62 N7 118.3(4) . .
N8 C62 C63 121.4(4) . .
N7 C62 C63 120.3(4) . .
N8 C62 Th2 62.7(2) . .
N7 C62 Th2 56.4(2) . .
C63 C62 Th2 169.3(3) . .
C68 C63 C64 119.0(4) . .
C68 C63 C62 120.3(4) . .
C64 C63 C62 120.7(4) . .
C65 C64 C63 120.2(4) . .
C65 C64 H64 119.9 . .
C63 C64 H64 119.9 . .
C66 C65 C64 120.1(4) . .
C66 C65 H65 119.9 . .
C64 C65 H65 119.9 . .
C65 C66 C67 120.2(4) . .
C65 C66 H66 119.9 . .
C67 C66 H66 119.9 . .
C68 C67 C66 119.9(5) . .
C68 C67 H67 120.0 . .
C66 C67 H67 120.0 . .
C67 C68 C63 120.5(4) . .
C67 C68 H68 119.7 . .
C63 C68 H68 119.7 . .
Si8 C69 H69A 109.5 . .
Si8 C69 H69B 109.5 . .
H69A C69 H69B 109.5 . .
Si8 C69 H69C 109.5 . .
H69A C69 H69C 109.5 . .
H69B C69 H69C 109.5 . .
Si8 C70 H70A 109.5 . .
Si8 C70 H70B 109.5 . .
H70A C70 H70B 109.5 . .
Si8 C70 H70C 109.5 . .
H70A C70 H70C 109.5 . .
H70B C70 H70C 109.5 . .
Si8 C71 H71A 109.5 . .
Si8 C71 H71B 109.5 . .
H71A C71 H71B 109.5 . .
Si8 C71 H71C 109.5 . .
H71A C71 H71C 109.5 . .
H71B C71 H71C 109.5 . .
Si9 C72 H72A 109.5 . .
Si9 C72 H72B 109.5 . .
H72A C72 H72B 109.5 . .
Si9 C72 H72C 109.5 . .
H72A C72 H72C 109.5 . .
H72B C72 H72C 109.5 . .
Si9 C73 H73A 109.5 . .
Si9 C73 H73B 109.5 . .
H73A C73 H73B 109.5 . .
Si9 C73 H73C 109.5 . .
H73A C73 H73C 109.5 . .
H73B C73 H73C 109.5 . .
Si9 C74 H74A 109.5 . .
Si9 C74 H74B 109.5 . .
H74A C74 H74B 109.5 . .
Si9 C74 H74C 109.5 . .
H74A C74 H74C 109.5 . .
H74B C74 H74C 109.5 . .
N10 C75 N9 118.2(4) . .
N10 C75 C76 121.1(4) . .
N9 C75 C76 120.6(4) . .
N10 C75 Th2 61.4(2) . .
N9 C75 Th2 57.3(2) . .
C76 C75 Th2 171.7(3) . .
C81 C76 C77 118.9(4) . .
C81 C76 C75 120.5(4) . .
C77 C76 C75 120.6(4) . .
C78 C77 C76 120.6(4) . .
C78 C77 H77 119.7 . .
C76 C77 H77 119.7 . .
C77 C78 C79 120.0(5) . .
C77 C78 H78 120.0 . .
C79 C78 H78 120.0 . .
C80 C79 C78 119.7(4) . .
C80 C79 H79 120.2 . .
C78 C79 H79 120.2 . .
C79 C80 C81 120.4(5) . .
C79 C80 H80 119.8 . .
C81 C80 H80 119.8 . .
C76 C81 C80 120.3(5) . .
C76 C81 H81 119.8 . .
C80 C81 H81 119.8 . .
Si10 C82 H82A 109.5 . .
Si10 C82 H82B 109.5 . .
H82A C82 H82B 109.5 . .
Si10 C82 H82C 109.5 . .
H82A C82 H82C 109.5 . .
H82B C82 H82C 109.5 . .
Si10 C83 H83A 109.5 . .
Si10 C83 H83B 109.5 . .
H83A C83 H83B 109.5 . .
Si10 C83 H83C 109.5 . .
H83A C83 H83C 109.5 . .
H83B C83 H83C 109.5 . .
Si10 C84 H84A 109.5 . .
Si10 C84 H84B 109.5 . .
H84A C84 H84B 109.5 . .
Si10 C84 H84C 109.5 . .
H84A C84 H84C 109.5 . .
H84B C84 H84C 109.5 . .
Si11 C85 H85A 109.5 . .
Si11 C85 H85B 109.5 . .
H85A C85 H85B 109.5 . .
Si11 C85 H85C 109.5 . .
H85A C85 H85C 109.5 . .
H85B C85 H85C 109.5 . .
Si11 C86 H86A 109.5 . .
Si11 C86 H86B 109.5 . .
H86A C86 H86B 109.5 . .
Si11 C86 H86C 109.5 . .
H86A C86 H86C 109.5 . .
H86B C86 H86C 109.5 . .
Si11 C87 H87A 109.5 . .
Si11 C87 H87B 109.5 . .
H87A C87 H87B 109.5 . .
Si11 C87 H87C 109.5 . .
H87A C87 H87C 109.5 . .
H87B C87 H87C 109.5 . .
N12 C88 N11 118.2(4) . .
N12 C88 C89 122.6(4) . .
N11 C88 C89 119.2(4) . .
N12 C88 Th2 62.2(2) . .
N11 C88 Th2 57.1(2) . .
C89 C88 Th2 166.9(3) . .
C90 C89 C94 119.0(4) . .
C90 C89 C88 119.5(4) . .
C94 C89 C88 121.4(4) . .
C89 C90 C91 120.4(4) . .
C89 C90 H90 119.8 . .
C91 C90 H90 119.8 . .
C92 C91 C90 120.1(5) . .
C92 C91 H91 120.0 . .
C90 C91 H91 120.0 . .
C93 C92 C91 119.8(4) . .
C93 C92 H92 120.1 . .
C91 C92 H92 120.1 . .
C92 C93 C94 120.5(4) . .
C92 C93 H93 119.7 . .
C94 C93 H93 119.7 . .
C93 C94 C89 120.2(4) . .
C93 C94 H94 119.9 . .
C89 C94 H94 119.9 . .
Si12 C95 H95A 109.5 . .
Si12 C95 H95B 109.5 . .
H95A C95 H95B 109.5 . .
Si12 C95 H95C 109.5 . .
H95A C95 H95C 109.5 . .
H95B C95 H95C 109.5 . .
Si12 C96 H96A 109.5 . .
Si12 C96 H96B 109.5 . .
H96A C96 H96B 109.5 . .
Si12 C96 H96C 109.5 . .
H96A C96 H96C 109.5 . .
H96B C96 H96C 109.5 . .
Si12 C97 H97A 109.5 . .
Si12 C97 H97B 109.5 . .
H97A C97 H97B 109.5 . .
Si12 C97 H97C 109.5 . .
H97A C97 H97C 109.5 . .
H97B C97 H97C 109.5 . .
C101 C100 H10D 109.5 . .
C101 C100 H10E 109.5 . .
H10D C100 H10E 109.5 . .
C101 C100 H10F 109.5 . .
H10D C100 H10F 109.5 . .
H10E C100 H10F 109.5 . .
C100 C101 C102 122.3(13) . .
C100 C101 H10G 106.7 . .
C102 C101 H10G 106.7 . .
C100 C101 H10H 106.7 . .
C102 C101 H10H 106.7 . .
H10G C101 H10H 106.6 . .
C103 C102 C101 109.3(11) . .
C103 C102 H10I 109.8 . .
C101 C102 H10I 109.8 . .
C103 C102 H10J 109.8 . .
C101 C102 H10J 109.8 . .
H10I C102 H10J 108.3 . .
C102 C103 C104 114.9(9) . .
C102 C103 H10K 108.5 . .
C104 C103 H10K 108.5 . .
C102 C103 H10L 108.5 . .
C104 C103 H10L 108.5 . .
H10K C103 H10L 107.5 . .
C103 C104 C105 114.0(11) . .
C103 C104 H10M 108.8 . .
C105 C104 H10M 108.8 . .
C103 C104 H10N 108.8 . .
C105 C104 H10N 108.8 . .
H10M C104 H10N 107.6 . .
C104 C105 H10O 109.5 . .
C104 C105 H10P 109.5 . .
H10O C105 H10P 109.5 . .
C104 C105 H10Q 109.5 . .
H10O C105 H10Q 109.5 . .
H10P C105 H10Q 109.5 . .
C111 C110 H11D 109.5 . .
C111 C110 H11E 109.5 . .
H11D C110 H11E 109.5 . .
C111 C110 H11F 109.5 . .
H11D C110 H11F 109.5 . .
H11E C110 H11F 109.5 . .
C112 C111 C110 120.7(7) . .
C112 C111 H11G 107.1 . .
C110 C111 H11G 107.1 . .
C112 C111 H11H 107.1 . .
C110 C111 H11H 107.1 . .
H11G C111 H11H 106.8 . .
C111 C112 C112 124.3(8) . 2_666
C111 C112 H11I 106.3 . .
C112 C112 H11I 106.3 2_666 .
C111 C112 H11J 106.3 . .
C112 C112 H11J 106.3 2_666 .
H11I C112 H11J 106.4 . .
C13 N1 Si1 132.6(3) . .
C13 N1 Th1 95.8(2) . .
Si1 N1 Th1 131.57(17) . .
C13 N2 Si2 126.8(3) . .
C13 N2 Th1 90.5(2) . .
Si2 N2 Th1 141.39(18) . .
C26 N3 Si3 129.5(3) . .
C26 N3 Th1 95.3(2) . .
Si3 N3 Th1 134.93(18) . .
C26 N4 Si4 128.0(3) . .
C26 N4 Th1 92.2(2) . .
Si4 N4 Th1 139.75(18) . .
C39 N5 Si5 130.0(3) . .
C39 N5 Th1 95.9(2) . .
Si5 N5 Th1 134.08(17) . .
C39 N6 Si6 126.4(3) . .
C39 N6 Th1 91.7(2) . .
Si6 N6 Th1 141.87(18) . .
C62 N7 Si7 130.6(3) . .
C62 N7 Th2 96.7(3) . .
Si7 N7 Th2 132.29(18) . .
C62 N8 Si8 127.0(3) . .
C62 N8 Th2 90.3(2) . .
Si8 N8 Th2 141.97(19) . .
C75 N9 Si9 130.2(3) . .
C75 N9 Th2 95.4(2) . .
Si9 N9 Th2 134.28(18) . .
C75 N10 Si10 129.6(3) . .
C75 N10 Th2 91.3(2) . .
Si10 N10 Th2 138.59(18) . .
C88 N11 Si11 131.9(3) . .
C88 N11 Th2 95.6(2) . .
Si11 N11 Th2 132.24(17) . .
C88 N12 Si12 128.1(3) . .
C88 N12 Th2 90.5(2) . .
Si12 N12 Th2 140.59(18) . .
C1 O1 Th1 157.5(3) . .
C50 O2 Th2 160.8(3) . .
N1 Si1 C12 114.3(2) . .
N1 Si1 C11 110.9(2) . .
C12 Si1 C11 107.7(3) . .
N1 Si1 C10 104.1(2) . .
C12 Si1 C10 108.9(3) . .
C11 Si1 C10 111.0(2) . .
N2 Si2 C21 112.6(2) . .
N2 Si2 C22 106.6(2) . .
C21 Si2 C22 105.1(3) . .
N2 Si2 C20 114.0(2) . .
C21 Si2 C20 109.3(3) . .
C22 Si2 C20 108.8(3) . .
N3 Si3 C23 104.66(19) . .
N3 Si3 C24 113.2(2) . .
C23 Si3 C24 108.7(2) . .
N3 Si3 C25 112.3(2) . .
C23 Si3 C25 108.4(2) . .
C24 Si3 C25 109.4(2) . .
N4 Si4 C33 104.6(2) . .
N4 Si4 C35 115.1(2) . .
C33 Si4 C35 110.5(3) . .
N4 Si4 C34 113.9(2) . .
C33 Si4 C34 107.3(3) . .
C35 Si4 C34 105.2(2) . .
N5 Si5 C38 112.4(2) . .
N5 Si5 C36 105.09(18) . .
C38 Si5 C36 107.2(2) . .
N5 Si5 C37 112.24(19) . .
C38 Si5 C37 109.3(2) . .
C36 Si5 C37 110.4(2) . .
N6 Si6 C47 108.27(19) . .
N6 Si6 C46 108.6(2) . .
C47 Si6 C46 108.7(2) . .
N6 Si6 C48 115.3(2) . .
C47 Si6 C48 105.6(2) . .
C46 Si6 C48 110.3(3) . .
N7 Si7 C60 104.62(19) . .
N7 Si7 C61 113.3(2) . .
C60 Si7 C61 107.2(2) . .
N7 Si7 C59 110.2(2) . .
C60 Si7 C59 110.7(2) . .
C61 Si7 C59 110.6(2) . .
N8 Si8 C69 107.5(2) . .
N8 Si8 C71 109.7(2) . .
C69 Si8 C71 106.9(3) . .
N8 Si8 C70 116.2(2) . .
C69 Si8 C70 106.0(2) . .
C71 Si8 C70 110.1(3) . .
N9 Si9 C74 113.7(2) . .
N9 Si9 C72 104.5(2) . .
C74 Si9 C72 111.7(3) . .
N9 Si9 C73 113.6(2) . .
C74 Si9 C73 106.5(3) . .
C72 Si9 C73 106.9(2) . .
N10 Si10 C84 108.85(19) . .
N10 Si10 C83 108.3(2) . .
C84 Si10 C83 107.4(3) . .
N10 Si10 C82 115.7(2) . .
C84 Si10 C82 106.0(2) . .
C83 Si10 C82 110.3(3) . .
N11 Si11 C87 113.6(2) . .
N11 Si11 C85 103.7(2) . .
C87 Si11 C85 109.5(3) . .
N11 Si11 C86 112.1(2) . .
C87 Si11 C86 107.2(3) . .
C85 Si11 C86 110.8(3) . .
N12 Si12 C97 107.33(19) . .
N12 Si12 C96 110.23(19) . .
C97 Si12 C96 108.0(2) . .
N12 Si12 C95 114.6(2) . .
C97 Si12 C95 106.9(2) . .
C96 Si12 C95 109.5(2) . .
C1 P1 Ni1 57.45(15) . .
C50 P2 Ni2 57.16(18) . .
C1 Ni1 C3 109.72(19) . .
C1 Ni1 C2 112.04(19) . .
C3 Ni1 C2 38.2(2) . .
C1 Ni1 C7 146.8(2) . .
C3 Ni1 C7 101.4(2) . .
C2 Ni1 C7 85.46(19) . .
C1 Ni1 P1 47.62(13) . .
C3 Ni1 P1 149.74(15) . .
C2 Ni1 P1 155.11(14) . .
C7 Ni1 P1 106.22(15) . .
C1 Ni1 C6 155.2(2) . .
C3 Ni1 C6 84.6(2) . .
C2 Ni1 C6 91.9(2) . .
C7 Ni1 C6 36.5(2) . .
P1 Ni1 C6 110.71(15) . .
C50 Ni2 C52 109.2(2) . .
C50 Ni2 C51 112.2(2) . .
C52 Ni2 C51 38.8(2) . .
C50 Ni2 C56 147.0(3) . .
C52 Ni2 C56 101.5(3) . .
C51 Ni2 C56 84.7(3) . .
C50 Ni2 P2 48.77(17) . .
C52 Ni2 P2 145.93(19) . .
C51 Ni2 P2 158.84(19) . .
C56 Ni2 P2 107.7(2) . .
C50 Ni2 C55 154.7(3) . .
C52 Ni2 C55 85.0(3) . .
C51 Ni2 C55 92.1(3) . .
C56 Ni2 C55 37.3(3) . .
P2 Ni2 C55 108.17(19) . .
O1 Th1 N5 80.39(10) . .
O1 Th1 N1 84.12(10) . .
N5 Th1 N1 126.75(12) . .
O1 Th1 N3 87.60(11) . .
N5 Th1 N3 124.53(11) . .
N1 Th1 N3 105.16(12) . .
O1 Th1 N6 113.59(11) . .
N5 Th1 N6 54.34(11) . .
N1 Th1 N6 87.65(12) . .
N3 Th1 N6 156.56(11) . .
O1 Th1 N4 119.22(11) . .
N5 Th1 N4 86.00(11) . .
N1 Th1 N4 144.22(11) . .
N3 Th1 N4 53.99(11) . .
N6 Th1 N4 104.51(11) . .
O1 Th1 N2 133.08(10) . .
N5 Th1 N2 139.53(11) . .
N1 Th1 N2 53.97(11) . .
N3 Th1 N2 84.71(11) . .
N6 Th1 N2 87.38(11) . .
N4 Th1 N2 92.48(11) . .
O1 Th1 C39 97.09(10) . .
N5 Th1 C39 27.07(11) . .
N1 Th1 C39 108.00(12) . .
N3 Th1 C39 146.80(11) . .
N6 Th1 C39 27.28(11) . .
N4 Th1 C39 96.25(11) . .
N2 Th1 C39 113.92(11) . .
O1 Th1 C13 107.61(11) . .
N5 Th1 C13 142.61(11) . .
N1 Th1 C13 27.00(11) . .
N3 Th1 C13 92.67(11) . .
N6 Th1 C13 90.31(11) . .
N4 Th1 C13 117.93(12) . .
N2 Th1 C13 27.29(11) . .
C39 Th1 C13 116.69(11) . .
O1 Th1 C26 103.62(11) . .
N5 Th1 C26 105.51(11) . .
N1 Th1 C26 127.65(12) . .
N3 Th1 C26 26.94(11) . .
N6 Th1 C26 131.26(11) . .
N4 Th1 C26 27.08(11) . .
N2 Th1 C26 89.47(11) . .
C39 Th1 C26 121.76(11) . .
C13 Th1 C26 107.69(11) . .
O2 Th2 N11 80.13(11) . .
O2 Th2 N7 83.59(11) . .
N11 Th2 N7 120.74(12) . .
O2 Th2 N9 86.88(11) . .
N11 Th2 N9 116.53(11) . .
N7 Th2 N9 118.94(11) . .
O2 Th2 N10 125.80(11) . .
N11 Th2 N10 85.38(11) . .
N7 Th2 N10 145.49(11) . .
N9 Th2 N10 54.39(11) . .
O2 Th2 N12 117.55(11) . .
N11 Th2 N12 54.23(11) . .
N7 Th2 N12 86.15(11) . .
N9 Th2 N12 147.88(11) . .
N10 Th2 N12 93.51(11) . .
O2 Th2 N8 123.38(11) . .
N11 Th2 N8 150.64(11) . .
N7 Th2 N8 53.73(11) . .
N9 Th2 N8 84.65(11) . .
N10 Th2 N8 92.23(11) . .
N12 Th2 N8 96.86(11) . .
O2 Th2 C88 97.14(11) . .
N11 Th2 C88 27.27(11) . .
N7 Th2 C88 102.04(11) . .
N9 Th2 C88 139.00(11) . .
N10 Th2 C88 92.52(11) . .
N12 Th2 C88 27.30(11) . .
N8 Th2 C88 124.16(11) . .
O2 Th2 C75 105.90(11) . .
N11 Th2 C75 100.16(11) . .
N7 Th2 C75 139.09(11) . .
N9 Th2 C75 27.28(11) . .
N10 Th2 C75 27.27(11) . .
N12 Th2 C75 120.72(11) . .
N8 Th2 C75 90.35(11) . .
C88 Th2 C75 115.62(11) . .
O2 Th2 C62 102.46(11) . .
N11 Th2 C62 142.73(11) . .
N7 Th2 C62 26.90(12) . .
N9 Th2 C62 100.74(11) . .
N10 Th2 C62 119.29(11) . .
N12 Th2 C62 94.20(11) . .
N8 Th2 C62 27.06(12) . .
C88 Th2 C62 117.86(11) . .
C75 Th2 C62 114.30(11) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O1 1.287(5) .
C1 P1 1.660(4) .
C1 Ni1 1.895(4) .
C2 C3 1.364(7) .
C2 C9 1.510(7) .
C2 Ni1 2.095(5) .
C2 H2 1.0000 .
C3 C4 1.522(7) .
C3 Ni1 2.071(5) .
C3 H3 1.0000 .
C4 C5 1.530(8) .
C4 H4A 0.9900 .
C4 H4B 0.9900 .
C5 C6 1.505(8) .
C5 H5A 0.9900 .
C5 H5B 0.9900 .
C6 C7 1.353(8) .
C6 Ni1 2.173(5) .
C6 H6 1.0000 .
C7 C8 1.509(7) .
C7 Ni1 2.143(4) .
C7 H7 1.0000 .
C8 C9 1.537(8) .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C10 Si1 1.881(5) .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C11 Si1 1.875(6) .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C12 Si1 1.861(5) .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 N1 1.330(5) .
C13 N2 1.336(5) .
C13 C14 1.504(6) .
C13 Th1 2.914(4) .
C14 C15 1.387(7) .
C14 C19 1.396(6) .
C15 C16 1.391(7) .
C15 H15 0.9500 .
C16 C17 1.383(8) .
C16 H16 0.9500 .
C17 C18 1.383(8) .
C17 H17 0.9500 .
C18 C19 1.384(6) .
C18 H18 0.9500 .
C19 H19 0.9500 .
C20 Si2 1.868(6) .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 Si2 1.856(5) .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C22 Si2 1.861(6) .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 Si3 1.851(5) .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C24 Si3 1.863(5) .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C25 Si3 1.872(5) .
C25 H25A 0.9800 .
C25 H25B 0.9800 .
C25 H25C 0.9800 .
C26 N3 1.329(5) .
C26 N4 1.330(5) .
C26 C27 1.502(6) .
C26 Th1 2.920(4) .
C27 C32 1.388(7) .
C27 C28 1.387(7) .
C28 C29 1.400(8) .
C28 H28 0.9500 .
C29 C30 1.366(9) .
C29 H29 0.9500 .
C30 C31 1.371(9) .
C30 H30 0.9500 .
C31 C32 1.397(7) .
C31 H31 0.9500 .
C32 H32 0.9500 .
C33 Si4 1.854(5) .
C33 H33A 0.9800 .
C33 H33B 0.9800 .
C33 H33C 0.9800 .
C34 Si4 1.874(5) .
C34 H34A 0.9800 .
C34 H34B 0.9800 .
C34 H34C 0.9800 .
C35 Si4 1.857(5) .
C35 H35A 0.9800 .
C35 H35B 0.9800 .
C35 H35C 0.9800 .
C36 Si5 1.867(4) .
C36 H36A 0.9800 .
C36 H36B 0.9800 .
C36 H36C 0.9800 .
C37 Si5 1.869(4) .
C37 H37A 0.9800 .
C37 H37B 0.9800 .
C37 H37C 0.9800 .
C38 Si5 1.860(5) .
C38 H38A 0.9800 .
C38 H38B 0.9800 .
C38 H38C 0.9800 .
C39 N5 1.332(5) .
C39 N6 1.335(5) .
C39 C40 1.502(6) .
C39 Th1 2.912(4) .
C40 C41 1.385(6) .
C40 C45 1.396(6) .
C41 C42 1.399(6) .
C41 H41 0.9500 .
C42 C43 1.389(7) .
C42 H42 0.9500 .
C43 C44 1.383(7) .
C43 H43 0.9500 .
C44 C45 1.388(6) .
C44 H44 0.9500 .
C45 H45 0.9500 .
C46 Si6 1.864(5) .
C46 H46A 0.9800 .
C46 H46B 0.9800 .
C46 H46C 0.9800 .
C47 Si6 1.857(5) .
C47 H47A 0.9800 .
C47 H47B 0.9800 .
C47 H47C 0.9800 .
C48 Si6 1.875(5) .
C48 H48A 0.9800 .
C48 H48B 0.9800 .
C48 H48C 0.9800 .
C50 O2 1.262(6) .
C50 P2 1.692(6) .
C50 Ni2 1.891(5) .
C51 C52 1.389(9) .
C51 C58 1.518(9) .
C51 Ni2 2.110(6) .
C51 H51 1.0000 .
C52 C53 1.507(8) .
C52 Ni2 2.070(6) .
C52 H52 1.0000 .
C53 C54 1.545(9) .
C53 H53A 0.9900 .
C53 H53B 0.9900 .
C54 C55 1.497(9) .
C54 H54A 0.9900 .
C54 H54B 0.9900 .
C55 C56 1.379(10) .
C55 Ni2 2.173(6) .
C55 H55 1.0000 .
C56 C57 1.525(10) .
C56 Ni2 2.140(6) .
C56 H56 1.0000 .
C57 C58 1.516(10) .
C57 H57A 0.9900 .
C57 H57B 0.9900 .
C58 H58A 0.9900 .
C58 H58B 0.9900 .
C59 Si7 1.872(5) .
C59 H59A 0.9800 .
C59 H59B 0.9800 .
C59 H59C 0.9800 .
C60 Si7 1.863(5) .
C60 H60A 0.9800 .
C60 H60B 0.9800 .
C60 H60C 0.9800 .
C61 Si7 1.871(5) .
C61 H61A 0.9800 .
C61 H61B 0.9800 .
C61 H61C 0.9800 .
C62 N8 1.329(6) .
C62 N7 1.331(6) .
C62 C63 1.501(6) .
C62 Th2 2.922(4) .
C63 C68 1.393(6) .
C63 C64 1.394(6) .
C64 C65 1.392(6) .
C64 H64 0.9500 .
C65 C66 1.376(7) .
C65 H65 0.9500 .
C66 C67 1.387(7) .
C66 H66 0.9500 .
C67 C68 1.384(6) .
C67 H67 0.9500 .
C68 H68 0.9500 .
C69 Si8 1.851(5) .
C69 H69A 0.9800 .
C69 H69B 0.9800 .
C69 H69C 0.9800 .
C70 Si8 1.870(5) .
C70 H70A 0.9800 .
C70 H70B 0.9800 .
C70 H70C 0.9800 .
C71 Si8 1.866(6) .
C71 H71A 0.9800 .
C71 H71B 0.9800 .
C71 H71C 0.9800 .
C72 Si9 1.865(5) .
C72 H72A 0.9800 .
C72 H72B 0.9800 .
C72 H72C 0.9800 .
C73 Si9 1.869(5) .
C73 H73A 0.9800 .
C73 H73B 0.9800 .
C73 H73C 0.9800 .
C74 Si9 1.858(5) .
C74 H74A 0.9800 .
C74 H74B 0.9800 .
C74 H74C 0.9800 .
C75 N10 1.331(5) .
C75 N9 1.337(5) .
C75 C76 1.508(6) .
C75 Th2 2.904(4) .
C76 C81 1.380(6) .
C76 C77 1.394(6) .
C77 C78 1.379(7) .
C77 H77 0.9500 .
C78 C79 1.380(7) .
C78 H78 0.9500 .
C79 C80 1.380(8) .
C79 H79 0.9500 .
C80 C81 1.385(7) .
C80 H80 0.9500 .
C81 H81 0.9500 .
C82 Si10 1.870(5) .
C82 H82A 0.9800 .
C82 H82B 0.9800 .
C82 H82C 0.9800 .
C83 Si10 1.857(6) .
C83 H83A 0.9800 .
C83 H83B 0.9800 .
C83 H83C 0.9800 .
C84 Si10 1.854(5) .
C84 H84A 0.9800 .
C84 H84B 0.9800 .
C84 H84C 0.9800 .
C85 Si11 1.856(5) .
C85 H85A 0.9800 .
C85 H85B 0.9800 .
C85 H85C 0.9800 .
C86 Si11 1.856(6) .
C86 H86A 0.9800 .
C86 H86B 0.9800 .
C86 H86C 0.9800 .
C87 Si11 1.853(5) .
C87 H87A 0.9800 .
C87 H87B 0.9800 .
C87 H87C 0.9800 .
C88 N12 1.326(5) .
C88 N11 1.331(5) .
C88 C89 1.501(6) .
C88 Th2 2.890(4) .
C89 C90 1.390(7) .
C89 C94 1.390(6) .
C90 C91 1.392(6) .
C90 H90 0.9500 .
C91 C92 1.380(7) .
C91 H91 0.9500 .
C92 C93 1.379(8) .
C92 H92 0.9500 .
C93 C94 1.388(6) .
C93 H93 0.9500 .
C94 H94 0.9500 .
C95 Si12 1.873(5) .
C95 H95A 0.9800 .
C95 H95B 0.9800 .
C95 H95C 0.9800 .
C96 Si12 1.869(5) .
C96 H96A 0.9800 .
C96 H96B 0.9800 .
C96 H96C 0.9800 .
C97 Si12 1.856(5) .
C97 H97A 0.9800 .
C97 H97B 0.9800 .
C97 H97C 0.9800 .
C100 C101 1.263(15) .
C100 H10D 0.9800 .
C100 H10E 0.9800 .
C100 H10F 0.9800 .
C101 C102 1.484(15) .
C101 H10G 0.9900 .
C101 H10H 0.9900 .
C102 C103 1.445(12) .
C102 H10I 0.9900 .
C102 H10J 0.9900 .
C103 C104 1.490(13) .
C103 H10K 0.9900 .
C103 H10L 0.9900 .
C104 C105 1.502(15) .
C104 H10M 0.9900 .
C104 H10N 0.9900 .
C105 H10O 0.9800 .
C105 H10P 0.9800 .
C105 H10Q 0.9800 .
C110 C111 1.472(10) .
C110 H11D 0.9800 .
C110 H11E 0.9800 .
C110 H11F 0.9800 .
C111 C112 1.420(10) .
C111 H11G 0.9900 .
C111 H11H 0.9900 .
C112 C112 1.464(13) 2_666
C112 H11I 0.9900 .
C112 H11J 0.9900 .
N1 Si1 1.741(4) .
N1 Th1 2.461(3) .
N2 Si2 1.751(4) .
N2 Th1 2.577(3) .
N3 Si3 1.752(3) .
N3 Th1 2.480(3) .
N4 Si4 1.755(4) .
N4 Th1 2.549(3) .
N5 Si5 1.748(3) .
N5 Th1 2.457(3) .
N6 Si6 1.752(3) .
N6 Th1 2.548(3) .
N7 Si7 1.743(4) .
N7 Th2 2.450(3) .
N8 Si8 1.751(4) .
N8 Th2 2.596(3) .
N9 Si9 1.750(3) .
N9 Th2 2.454(3) .
N10 Si10 1.754(3) .
N10 Th2 2.550(3) .
N11 Si11 1.754(3) .
N11 Th2 2.439(3) .
N12 Si12 1.751(3) .
N12 Th2 2.557(3) .
O1 Th1 2.279(3) .
O2 Th2 2.288(3) .
P1 Ni1 2.1705(13) .
P2 Ni2 2.1640(18) .
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_4
C9 C2 C3 C4 -2.6(8) .
Ni1 C2 C3 C4 98.1(5) .
C9 C2 C3 Ni1 -100.6(5) .
C2 C3 C4 C5 -39.9(8) .
Ni1 C3 C4 C5 39.7(6) .
C3 C4 C5 C6 -37.6(7) .
C4 C5 C6 C7 94.9(7) .
C4 C5 C6 Ni1 15.7(6) .
C5 C6 C7 C8 -4.1(8) .
Ni1 C6 C7 C8 95.7(5) .
C5 C6 C7 Ni1 -99.8(5) .
C6 C7 C8 C9 -40.8(7) .
Ni1 C7 C8 C9 38.5(5) .
C3 C2 C9 C8 91.5(6) .
Ni1 C2 C9 C8 12.4(6) .
C7 C8 C9 C2 -35.6(7) .
N1 C13 C14 C15 75.8(6) .
N2 C13 C14 C15 -101.3(5) .
Th1 C13 C14 C15 -3.9(16) .
N1 C13 C14 C19 -106.5(5) .
N2 C13 C14 C19 76.4(6) .
Th1 C13 C14 C19 173.8(11) .
C19 C14 C15 C16 -1.7(8) .
C13 C14 C15 C16 176.1(5) .
C14 C15 C16 C17 1.5(8) .
C15 C16 C17 C18 -0.3(8) .
C16 C17 C18 C19 -0.7(8) .
C17 C18 C19 C14 0.5(7) .
C15 C14 C19 C18 0.7(7) .
C13 C14 C19 C18 -177.0(4) .
N3 C26 C27 C32 -81.9(5) .
N4 C26 C27 C32 98.8(5) .
N3 C26 C27 C28 97.1(5) .
N4 C26 C27 C28 -82.1(6) .
C32 C27 C28 C29 -0.9(7) .
C26 C27 C28 C29 -180.0(5) .
C27 C28 C29 C30 -0.2(8) .
C28 C29 C30 C31 0.8(9) .
C29 C30 C31 C32 -0.3(9) .
C28 C27 C32 C31 1.4(7) .
C26 C27 C32 C31 -179.5(4) .
C30 C31 C32 C27 -0.9(8) .
N5 C39 C40 C41 -102.3(5) .
N6 C39 C40 C41 77.9(5) .
N5 C39 C40 C45 78.3(5) .
N6 C39 C40 C45 -101.5(5) .
C45 C40 C41 C42 1.2(6) .
C39 C40 C41 C42 -178.3(4) .
C40 C41 C42 C43 0.2(6) .
C41 C42 C43 C44 -1.0(7) .
C42 C43 C44 C45 0.4(7) .
C43 C44 C45 C40 1.0(7) .
C41 C40 C45 C44 -1.8(6) .
C39 C40 C45 C44 177.7(4) .
C58 C51 C52 C53 1.9(10) .
Ni2 C51 C52 C53 -99.7(6) .
C58 C51 C52 Ni2 101.7(6) .
C51 C52 C53 C54 43.9(8) .
Ni2 C52 C53 C54 -36.4(6) .
C52 C53 C54 C55 34.4(8) .
C53 C54 C55 C56 -92.4(8) .
C53 C54 C55 Ni2 -14.2(7) .
C54 C55 C56 C57 2.1(10) .
Ni2 C55 C56 C57 -97.2(6) .
C54 C55 C56 Ni2 99.4(6) .
C55 C56 C57 C58 43.7(9) .
Ni2 C56 C57 C58 -35.7(8) .
C56 C57 C58 C51 33.8(9) .
C52 C51 C58 C57 -91.9(8) .
Ni2 C51 C58 C57 -13.2(7) .
N8 C62 C63 C68 102.2(5) .
N7 C62 C63 C68 -76.0(5) .
Th2 C62 C63 C68 -7.2(19) .
N8 C62 C63 C64 -76.9(5) .
N7 C62 C63 C64 104.8(5) .
Th2 C62 C63 C64 173.6(14) .
C68 C63 C64 C65 0.0(7) .
C62 C63 C64 C65 179.2(4) .
C63 C64 C65 C66 -0.2(7) .
C64 C65 C66 C67 0.2(7) .
C65 C66 C67 C68 0.0(7) .
C66 C67 C68 C63 -0.2(7) .
C64 C63 C68 C67 0.2(7) .
C62 C63 C68 C67 -179.0(4) .
N10 C75 C76 C81 97.1(5) .
N9 C75 C76 C81 -81.6(5) .
N10 C75 C76 C77 -81.1(5) .
N9 C75 C76 C77 100.1(5) .
C81 C76 C77 C78 0.3(6) .
C75 C76 C77 C78 178.5(4) .
C76 C77 C78 C79 -0.8(7) .
C77 C78 C79 C80 0.2(7) .
C78 C79 C80 C81 1.0(8) .
C77 C76 C81 C80 0.9(7) .
C75 C76 C81 C80 -177.4(4) .
C79 C80 C81 C76 -1.5(8) .
N12 C88 C89 C90 101.6(5) .
N11 C88 C89 C90 -76.1(5) .
Th2 C88 C89 C90 -6.2(15) .
N12 C88 C89 C94 -79.6(5) .
N11 C88 C89 C94 102.7(5) .
Th2 C88 C89 C94 172.6(10) .
C94 C89 C90 C91 0.8(7) .
C88 C89 C90 C91 179.6(4) .
C89 C90 C91 C92 -1.3(7) .
C90 C91 C92 C93 0.6(7) .
C91 C92 C93 C94 0.4(7) .
C92 C93 C94 C89 -0.9(7) .
C90 C89 C94 C93 0.3(6) .
C88 C89 C94 C93 -178.5(4) .
C100 C101 C102 C103 -75.9(19) .
C101 C102 C103 C104 -169.1(10) .
C102 C103 C104 C105 -175.3(11) .
C110 C111 C112 C112 176.3(9) 2_666
N2 C13 N1 Si1 -167.7(3) .
C14 C13 N1 Si1 15.2(6) .
Th1 C13 N1 Si1 -179.9(5) .
N2 C13 N1 Th1 12.1(4) .
C14 C13 N1 Th1 -165.0(3) .
N1 C13 N2 Si2 179.0(3) .
C14 C13 N2 Si2 -3.8(6) .
Th1 C13 N2 Si2 -169.5(4) .
N1 C13 N2 Th1 -11.5(4) .
C14 C13 N2 Th1 165.6(3) .
N4 C26 N3 Si3 179.0(3) .
C27 C26 N3 Si3 -0.3(6) .
Th1 C26 N3 Si3 174.8(4) .
N4 C26 N3 Th1 4.1(4) .
C27 C26 N3 Th1 -175.1(3) .
N3 C26 N4 Si4 178.5(3) .
C27 C26 N4 Si4 -2.2(6) .
Th1 C26 N4 Si4 -177.5(4) .
N3 C26 N4 Th1 -4.0(4) .
C27 C26 N4 Th1 175.2(4) .
N6 C39 N5 Si5 178.7(3) .
C40 C39 N5 Si5 -1.1(6) .
Th1 C39 N5 Si5 176.9(4) .
N6 C39 N5 Th1 1.9(4) .
C40 C39 N5 Th1 -177.9(3) .
N5 C39 N6 Si6 179.0(3) .
C40 C39 N6 Si6 -1.2(6) .
Th1 C39 N6 Si6 -179.2(4) .
N5 C39 N6 Th1 -1.8(4) .
C40 C39 N6 Th1 178.0(3) .
N8 C62 N7 Si7 175.9(3) .
C63 C62 N7 Si7 -5.8(6) .
Th2 C62 N7 Si7 -173.8(4) .
N8 C62 N7 Th2 -10.3(4) .
C63 C62 N7 Th2 168.0(3) .
N7 C62 N8 Si8 -178.3(3) .
C63 C62 N8 Si8 3.4(6) .
Th2 C62 N8 Si8 172.0(4) .
N7 C62 N8 Th2 9.6(4) .
C63 C62 N8 Th2 -168.6(3) .
N10 C75 N9 Si9 174.1(3) .
C76 C75 N9 Si9 -7.1(6) .
Th2 C75 N9 Si9 -177.7(4) .
N10 C75 N9 Th2 -8.2(4) .
C76 C75 N9 Th2 170.6(3) .
N9 C75 N10 Si10 -178.8(3) .
C76 C75 N10 Si10 2.4(6) .
Th2 C75 N10 Si10 173.3(4) .
N9 C75 N10 Th2 7.9(4) .
C76 C75 N10 Th2 -170.9(3) .
N12 C88 N11 Si11 172.9(3) .
C89 C88 N11 Si11 -9.4(6) .
Th2 C88 N11 Si11 -174.7(4) .
N12 C88 N11 Th2 -12.4(4) .
C89 C88 N11 Th2 165.4(3) .
N11 C88 N12 Si12 -176.9(3) .
C89 C88 N12 Si12 5.4(6) .
Th2 C88 N12 Si12 171.3(4) .
N11 C88 N12 Th2 11.8(4) .
C89 C88 N12 Th2 -165.9(4) .
P1 C1 O1 Th1 8.6(12) .
Ni1 C1 O1 Th1 -172.8(4) .
P2 C50 O2 Th2 -4.8(15) .
Ni2 C50 O2 Th2 170.5(5) .
C13 N1 Si1 C12 21.2(6) .
Th1 N1 Si1 C12 -158.6(3) .
C13 N1 Si1 C11 -100.7(4) .
Th1 N1 Si1 C11 79.5(3) .
C13 N1 Si1 C10 139.9(4) .
Th1 N1 Si1 C10 -39.9(3) .
C13 N2 Si2 C21 -79.0(4) .
Th1 N2 Si2 C21 118.0(3) .
C13 N2 Si2 C22 166.3(4) .
Th1 N2 Si2 C22 3.3(4) .
C13 N2 Si2 C20 46.2(5) .
Th1 N2 Si2 C20 -116.8(4) .
C26 N3 Si3 C23 -173.2(4) .
Th1 N3 Si3 C23 -0.5(3) .
C26 N3 Si3 C24 -55.1(4) .
Th1 N3 Si3 C24 117.6(3) .
C26 N3 Si3 C25 69.4(4) .
Th1 N3 Si3 C25 -117.9(3) .
C26 N4 Si4 C33 -166.0(4) .
Th1 N4 Si4 C33 18.0(4) .
C26 N4 Si4 C35 -44.4(5) .
Th1 N4 Si4 C35 139.5(3) .
C26 N4 Si4 C34 77.1(4) .
Th1 N4 Si4 C34 -98.9(3) .
C39 N5 Si5 C38 -79.1(4) .
Th1 N5 Si5 C38 96.6(3) .
C39 N5 Si5 C36 164.6(4) .
Th1 N5 Si5 C36 -19.7(3) .
C39 N5 Si5 C37 44.6(4) .
Th1 N5 Si5 C37 -139.7(3) .
C39 N6 Si6 C47 156.5(4) .
Th1 N6 Si6 C47 -22.2(4) .
C39 N6 Si6 C46 -85.7(4) .
Th1 N6 Si6 C46 95.6(3) .
C39 N6 Si6 C48 38.5(4) .
Th1 N6 Si6 C48 -140.1(3) .
C62 N7 Si7 C60 -162.4(4) .
Th2 N7 Si7 C60 25.9(3) .
C62 N7 Si7 C61 -46.0(4) .
Th2 N7 Si7 C61 142.3(2) .
C62 N7 Si7 C59 78.5(4) .
Th2 N7 Si7 C59 -93.2(3) .
C62 N8 Si8 C69 -154.5(4) .
Th2 N8 Si8 C69 12.5(4) .
C62 N8 Si8 C71 89.6(4) .
Th2 N8 Si8 C71 -103.4(3) .
C62 N8 Si8 C70 -36.0(5) .
Th2 N8 Si8 C70 131.0(3) .
C75 N9 Si9 C74 66.8(4) .
Th2 N9 Si9 C74 -110.0(3) .
C75 N9 Si9 C72 -171.2(4) .
Th2 N9 Si9 C72 12.0(3) .
C75 N9 Si9 C73 -55.1(4) .
Th2 N9 Si9 C73 128.1(3) .
C75 N10 Si10 C84 -144.9(4) .
Th2 N10 Si10 C84 25.0(3) .
C75 N10 Si10 C83 98.7(5) .
Th2 N10 Si10 C83 -91.5(4) .
C75 N10 Si10 C82 -25.7(5) .
Th2 N10 Si10 C82 144.1(3) .
C88 N11 Si11 C87 -40.4(5) .
Th2 N11 Si11 C87 146.8(3) .
C88 N11 Si11 C85 -159.1(4) .
Th2 N11 Si11 C85 28.0(3) .
C88 N11 Si11 C86 81.3(4) .
Th2 N11 Si11 C86 -91.6(3) .
C88 N12 Si12 C97 -158.2(4) .
Th2 N12 Si12 C97 8.1(4) .
C88 N12 Si12 C96 84.5(4) .
Th2 N12 Si12 C96 -109.3(3) .
C88 N12 Si12 C95 -39.6(4) .
Th2 N12 Si12 C95 126.6(3) .
O1 C1 P1 Ni1 179.0(7) .
O2 C50 P2 Ni2 176.9(8) .
O1 C1 Ni1 C3 24.5(5) .
P1 C1 Ni1 C3 -156.22(17) .
O1 C1 Ni1 C2 -16.4(5) .
P1 C1 Ni1 C2 162.84(17) .
O1 C1 Ni1 C7 -133.9(4) .
P1 C1 Ni1 C7 45.3(4) .
O1 C1 Ni1 P1 -179.3(5) .
O1 C1 Ni1 C6 147.1(5) .
P1 C1 Ni1 C6 -33.6(5) .
O2 C50 Ni2 C52 -27.9(7) .
P2 C50 Ni2 C52 149.4(2) .
O2 C50 Ni2 C51 13.6(7) .
P2 C50 Ni2 C51 -169.1(2) .
O2 C50 Ni2 C56 130.1(6) .
P2 C50 Ni2 C56 -52.6(5) .
O2 C50 Ni2 P2 -177.3(7) .
O2 C50 Ni2 C55 -149.2(6) .
P2 C50 Ni2 C55 28.1(6) .
