#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/64/7016455.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_7016455
loop_
_publ_author_name
'Takaya, Jun'
'Iwasawa, Nobuharu'
_publ_section_title
;
 Reaction of bis(o-phosphinophenyl)silane with M(PPh(3))(4) (M = Ni,
 Pd, Pt): synthesis and structural analysis of η(2)-(Si-H) metal(0)
 and pentacoordinate silyl metal(ii) hydride complexes of the Ni triad
 bearing a PSiP-pincer ligand.
;
_journal_issue                   35
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8814
_journal_page_last               8821
_journal_paper_doi               10.1039/c1dt10526d
_journal_volume                  40
_journal_year                    2011
_chemical_formula_moiety         'C55 H47 Ni P3 Si '
_chemical_formula_sum            'C55 H47 Ni P3 Si'
_chemical_formula_weight         887.68
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                91.3972(13)
_cell_angle_beta                 90.1161(12)
_cell_angle_gamma                90.9045(12)
_cell_formula_units_Z            4
_cell_length_a                   12.2584(4)
_cell_length_b                   18.3081(8)
_cell_length_c                   19.6284(8)
_cell_measurement_reflns_used    75153
_cell_measurement_temperature    173.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     4403.3(3)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SIR2002
_diffrn_ambient_temperature      173.1
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.035
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            104417
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.615
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.339
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1856.00
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.44
_refine_diff_density_min         -0.53
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     1090
_refine_ls_number_reflns         20082
_refine_ls_R_factor_gt           0.0340
_refine_ls_shift/su_max          0.0030
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.1000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1229
_reflns_number_gt                17720
_reflns_number_total             20082
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            c1dt10526d.txt
_cod_data_source_block           '__h2-(Si-H)Ni(0)'
_cod_original_formula_sum        'C55 H47 Ni P3 Si '
_cod_database_code               7016455
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Ni(1) Ni 0.625526(15) 0.367006(11) 0.752220(10) 0.01817(5) Uani 1.00 1 d .
Ni(2) Ni 0.874152(15) -0.130573(10) 0.756018(9) 0.01731(5) Uani 1.00 1 d .
P(1) P 0.56529(3) 0.32789(2) 0.65194(2) 0.02079(8) Uani 1.00 1 d .
P(2) P 0.52205(3) 0.32440(2) 0.83417(2) 0.02052(8) Uani 1.00 1 d .
P(3) P 0.79787(3) 0.34034(2) 0.76589(2) 0.01953(8) Uani 1.00 1 d .
P(4) P 0.97742(3) -0.17791(2) 0.83602(2) 0.01908(8) Uani 1.00 1 d .
P(5) P 0.92849(3) -0.16361(2) 0.65393(2) 0.02010(8) Uani 1.00 1 d .
P(6) P 0.70144(3) -0.16114(2) 0.76851(2) 0.01830(8) Uani 1.00 1 d .
Si(1) Si 0.50417(3) 0.45971(2) 0.74726(2) 0.02010(8) Uani 1.00 1 d .
Si(2) Si 1.00148(3) -0.03977(2) 0.75342(2) 0.02029(8) Uani 1.00 1 d .
C(1) C 0.62510(14) 0.36054(10) 0.57138(8) 0.0252(3) Uani 1.00 1 d .
C(2) C 0.6191(2) 0.43490(12) 0.55969(11) 0.0435(5) Uani 1.00 1 d .
C(3) C 0.6585(2) 0.46449(13) 0.50009(13) 0.0510(5) Uani 1.00 1 d .
C(4) C 0.70643(17) 0.41967(13) 0.45130(10) 0.0411(4) Uani 1.00 1 d .
C(5) C 0.71505(16) 0.34635(12) 0.46213(10) 0.0380(4) Uani 1.00 1 d .
C(6) C 0.67427(15) 0.31673(11) 0.52184(9) 0.0313(3) Uani 1.00 1 d .
C(7) C 0.42594(13) 0.36181(9) 0.64102(8) 0.0227(3) Uani 1.00 1 d .
C(8) C 0.39613(13) 0.41689(9) 0.68776(8) 0.0231(3) Uani 1.00 1 d .
C(9) C 0.28909(14) 0.44238(10) 0.68581(10) 0.0304(3) Uani 1.00 1 d .
C(10) C 0.21383(15) 0.41403(11) 0.63917(11) 0.0363(4) Uani 1.00 1 d .
C(11) C 0.24652(15) 0.36262(12) 0.59024(10) 0.0366(4) Uani 1.00 1 d .
C(12) C 0.35259(15) 0.33725(10) 0.59035(9) 0.0303(3) Uani 1.00 1 d .
C(13) C 0.55467(16) 0.22902(9) 0.63496(9) 0.0288(3) Uani 1.00 1 d .
C(14) C 0.45688(19) 0.18932(11) 0.62972(10) 0.0391(4) Uani 1.00 1 d .
C(15) C 0.4574(2) 0.11395(12) 0.61811(13) 0.0554(6) Uani 1.00 1 d .
C(16) C 0.5524(2) 0.07736(13) 0.61304(14) 0.0648(7) Uani 1.00 1 d .
C(17) C 0.6505(2) 0.11485(14) 0.62009(15) 0.0639(7) Uani 1.00 1 d .
C(18) C 0.65167(19) 0.19018(12) 0.63138(12) 0.0431(4) Uani 1.00 1 d .
C(19) C 0.41330(14) 0.25957(10) 0.80740(9) 0.0273(3) Uani 1.00 1 d .
C(20) C 0.30887(15) 0.28260(12) 0.79079(10) 0.0365(4) Uani 1.00 1 d .
C(21) C 0.23101(17) 0.23298(15) 0.76467(12) 0.0495(5) Uani 1.00 1 d .
C(22) C 0.2560(2) 0.15992(15) 0.75623(13) 0.0529(6) Uani 1.00 1 d .
C(23) C 0.3582(2) 0.13615(13) 0.77305(12) 0.0475(5) Uani 1.00 1 d .
C(24) C 0.43701(17) 0.18562(11) 0.79735(10) 0.0356(4) Uani 1.00 1 d .
C(25) C 0.44417(13) 0.40025(9) 0.87285(8) 0.0247(3) Uani 1.00 1 d .
C(26) C 0.43891(13) 0.46381(9) 0.83440(8) 0.0234(3) Uani 1.00 1 d .
C(27) C 0.38209(14) 0.52375(10) 0.86179(10) 0.0302(3) Uani 1.00 1 d .
C(28) C 0.33279(16) 0.52012(12) 0.92502(10) 0.0384(4) Uani 1.00 1 d .
C(29) C 0.33706(18) 0.45689(13) 0.96148(10) 0.0425(4) Uani 1.00 1 d .
C(30) C 0.39288(16) 0.39679(12) 0.93583(10) 0.0353(4) Uani 1.00 1 d .
C(31) C 0.57395(14) 0.28081(9) 0.91141(8) 0.0246(3) Uani 1.00 1 d .
C(32) C 0.67054(15) 0.30766(11) 0.93991(10) 0.0336(3) Uani 1.00 1 d .
C(33) C 0.71165(18) 0.27883(14) 0.99948(11) 0.0460(5) Uani 1.00 1 d .
C(34) C 0.6576(2) 0.22223(14) 1.03063(11) 0.0474(5) Uani 1.00 1 d .
C(35) C 0.56206(19) 0.19423(12) 1.00269(10) 0.0406(4) Uani 1.00 1 d .
C(36) C 0.52014(16) 0.22373(11) 0.94392(9) 0.0332(3) Uani 1.00 1 d .
C(37) C 0.88927(13) 0.40469(9) 0.81324(8) 0.0235(3) Uani 1.00 1 d .
C(38) C 0.84584(14) 0.45242(9) 0.86169(9) 0.0277(3) Uani 1.00 1 d .
C(39) C 0.91353(16) 0.49773(11) 0.90165(10) 0.0351(4) Uani 1.00 1 d .
C(40) C 1.02551(16) 0.49649(11) 0.89278(10) 0.0369(4) Uani 1.00 1 d .
C(41) C 1.07033(15) 0.45022(12) 0.84413(10) 0.0360(4) Uani 1.00 1 d .
C(42) C 1.00249(14) 0.40481(11) 0.80407(10) 0.0315(3) Uani 1.00 1 d .
C(43) C 0.87459(13) 0.32875(9) 0.68624(8) 0.0232(3) Uani 1.00 1 d .
C(44) C 0.87714(14) 0.38702(10) 0.64174(9) 0.0283(3) Uani 1.00 1 d .
C(45) C 0.92545(15) 0.37995(11) 0.57857(9) 0.0329(3) Uani 1.00 1 d .
C(46) C 0.97106(15) 0.31409(12) 0.55769(10) 0.0353(4) Uani 1.00 1 d .
C(47) C 0.96882(18) 0.25597(12) 0.60114(11) 0.0416(4) Uani 1.00 1 d .
C(48) C 0.92254(16) 0.26316(11) 0.66578(10) 0.0339(4) Uani 1.00 1 d .
C(49) C 0.82433(13) 0.25401(9) 0.80788(8) 0.0235(3) Uani 1.00 1 d .
C(50) C 0.75096(15) 0.19687(10) 0.79449(9) 0.0292(3) Uani 1.00 1 d .
C(51) C 0.76657(17) 0.12842(10) 0.82165(11) 0.0370(4) Uani 1.00 1 d .
C(52) C 0.85550(18) 0.11687(11) 0.86371(10) 0.0387(4) Uani 1.00 1 d .
C(53) C 0.92740(17) 0.17368(11) 0.87901(10) 0.0367(4) Uani 1.00 1 d .
C(54) C 0.91303(15) 0.24185(10) 0.85084(9) 0.0308(3) Uani 1.00 1 d .
C(55) C 0.51728(15) 0.55562(9) 0.71371(9) 0.0278(3) Uani 1.00 1 d .
C(56) C 0.92438(13) -0.22284(9) 0.91261(8) 0.0234(3) Uani 1.00 1 d .
C(57) C 0.83198(15) -0.19401(12) 0.94324(10) 0.0340(4) Uani 1.00 1 d .
C(58) C 0.79163(18) -0.22244(15) 1.00341(11) 0.0463(5) Uani 1.00 1 d .
C(59) C 0.84145(19) -0.28078(13) 1.03301(10) 0.0452(5) Uani 1.00 1 d .
C(60) C 0.93347(19) -0.31060(11) 1.00306(10) 0.0399(4) Uani 1.00 1 d .
C(61) C 0.97470(16) -0.28154(10) 0.94383(9) 0.0314(3) Uani 1.00 1 d .
C(62) C 1.05938(13) -0.10334(9) 0.87664(8) 0.0228(3) Uani 1.00 1 d .
C(63) C 1.06780(13) -0.03825(9) 0.84032(8) 0.0225(3) Uani 1.00 1 d .
C(64) C 1.12739(14) 0.02035(10) 0.86974(10) 0.0289(3) Uani 1.00 1 d .
C(65) C 1.17738(15) 0.01443(11) 0.93311(10) 0.0355(4) Uani 1.00 1 d .
C(66) C 1.17002(17) -0.05043(12) 0.96741(10) 0.0396(4) Uani 1.00 1 d .
C(67) C 1.11116(15) -0.10941(11) 0.93951(9) 0.0323(3) Uani 1.00 1 d .
C(68) C 1.08373(13) -0.24229(9) 0.80776(8) 0.0233(3) Uani 1.00 1 d .
C(69) C 1.05653(15) -0.31597(10) 0.79589(9) 0.0299(3) Uani 1.00 1 d .
C(70) C 1.13399(18) -0.36411(11) 0.76996(10) 0.0382(4) Uani 1.00 1 d .
C(71) C 1.23711(18) -0.33901(12) 0.75358(11) 0.0430(5) Uani 1.00 1 d .
C(72) C 1.26484(16) -0.26645(13) 0.76476(12) 0.0426(5) Uani 1.00 1 d .
C(73) C 1.18839(14) -0.21812(11) 0.79241(10) 0.0318(3) Uani 1.00 1 d .
C(74) C 0.91643(15) -0.25999(10) 0.62891(8) 0.0265(3) Uani 1.00 1 d .
C(75) C 0.81284(17) -0.28630(12) 0.60792(10) 0.0388(4) Uani 1.00 1 d .
C(76) C 0.7944(2) -0.35992(13) 0.59341(12) 0.0481(5) Uani 1.00 1 d .
C(77) C 0.8799(2) -0.40866(13) 0.59926(12) 0.0549(6) Uani 1.00 1 d .
C(78) C 0.9814(2) -0.38360(12) 0.62026(12) 0.0501(5) Uani 1.00 1 d .
C(79) C 1.00080(18) -0.30949(11) 0.63528(10) 0.0350(4) Uani 1.00 1 d .
C(80) C 1.07378(13) -0.13791(9) 0.64742(8) 0.0223(3) Uani 1.00 1 d .
C(81) C 1.10749(13) -0.08323(9) 0.69413(8) 0.0227(3) Uani 1.00 1 d .
C(82) C 1.21808(14) -0.06084(10) 0.69371(9) 0.0288(3) Uani 1.00 1 d .
C(83) C 1.29130(14) -0.09248(11) 0.64851(10) 0.0340(4) Uani 1.00 1 d .
C(84) C 1.25488(15) -0.14381(11) 0.60015(10) 0.0350(4) Uani 1.00 1 d .
C(85) C 1.14634(14) -0.16619(10) 0.59877(9) 0.0296(3) Uani 1.00 1 d .
C(86) C 0.88126(14) -0.11895(11) 0.57602(9) 0.0289(3) Uani 1.00 1 d .
C(87) C 0.87044(19) -0.04320(12) 0.57933(11) 0.0428(4) Uani 1.00 1 d .
C(88) C 0.8468(2) -0.00438(15) 0.52159(13) 0.0583(6) Uani 1.00 1 d .
C(89) C 0.8312(2) -0.04049(18) 0.46011(12) 0.0662(8) Uani 1.00 1 d .
C(90) C 0.8384(2) -0.11441(18) 0.45621(11) 0.0669(8) Uani 1.00 1 d .
C(91) C 0.86441(19) -0.15437(14) 0.51379(10) 0.0464(5) Uani 1.00 1 d .
C(92) C 0.62321(12) -0.17474(9) 0.68919(8) 0.0222(3) Uani 1.00 1 d .
C(93) C 0.63167(14) -0.12023(10) 0.64083(9) 0.0262(3) Uani 1.00 1 d .
C(94) C 0.58434(15) -0.13003(11) 0.57659(9) 0.0315(3) Uani 1.00 1 d .
C(95) C 0.52898(15) -0.19422(12) 0.56012(9) 0.0338(4) Uani 1.00 1 d .
C(96) C 0.51824(15) -0.24828(11) 0.60795(10) 0.0356(4) Uani 1.00 1 d .
C(97) C 0.56470(14) -0.23843(10) 0.67235(9) 0.0284(3) Uani 1.00 1 d .
C(98) C 0.61049(13) -0.09982(9) 0.81673(8) 0.0212(3) Uani 1.00 1 d .
C(99) C 0.65441(14) -0.05040(9) 0.86499(9) 0.0256(3) Uani 1.00 1 d .
C(100) C 0.58705(16) -0.00542(11) 0.90395(10) 0.0334(3) Uani 1.00 1 d .
C(101) C 0.47523(15) -0.00865(11) 0.89490(10) 0.0337(4) Uani 1.00 1 d .
C(102) C 0.42996(14) -0.05668(11) 0.84658(10) 0.0340(4) Uani 1.00 1 d .
C(103) C 0.49722(14) -0.10154(11) 0.80757(9) 0.0303(3) Uani 1.00 1 d .
C(104) C 0.67786(13) -0.24916(9) 0.80893(8) 0.0228(3) Uani 1.00 1 d .
C(105) C 0.74784(14) -0.30537(9) 0.78974(9) 0.0280(3) Uani 1.00 1 d .
C(106) C 0.73524(17) -0.37425(10) 0.81716(11) 0.0357(4) Uani 1.00 1 d .
C(107) C 0.65333(18) -0.38740(11) 0.86389(10) 0.0389(4) Uani 1.00 1 d .
C(108) C 0.58434(18) -0.33189(11) 0.88365(10) 0.0371(4) Uani 1.00 1 d .
C(109) C 0.59593(15) -0.26309(10) 0.85603(9) 0.0303(3) Uani 1.00 1 d .
C(110) C 0.99193(15) 0.05716(9) 0.72180(9) 0.0297(3) Uani 1.00 1 d .
H(1) H 0.5873 0.4661 0.5933 0.052 Uiso 1.00 1 c R
H(2) H 0.6527 0.5154 0.4928 0.061 Uiso 1.00 1 c R
H(3) H 0.7333 0.4397 0.4103 0.049 Uiso 1.00 1 c R
H(4) H 0.7489 0.3157 0.4289 0.046 Uiso 1.00 1 c R
H(5) H 0.6802 0.2658 0.5288 0.038 Uiso 1.00 1 c R
H(6) H 0.2677 0.4799 0.7171 0.036 Uiso 1.00 1 c R
H(7) H 0.1403 0.4296 0.6406 0.044 Uiso 1.00 1 c R
H(8) H 0.1961 0.3449 0.5567 0.044 Uiso 1.00 1 c R
H(9) H 0.3754 0.3033 0.5561 0.036 Uiso 1.00 1 c R
H(10) H 0.3894 0.2138 0.6341 0.047 Uiso 1.00 1 c R
H(11) H 0.3901 0.0878 0.6137 0.066 Uiso 1.00 1 c R
H(12) H 0.5515 0.0260 0.6047 0.078 Uiso 1.00 1 c R
H(13) H 0.7171 0.0892 0.6172 0.077 Uiso 1.00 1 c R
H(14) H 0.7195 0.2155 0.6367 0.052 Uiso 1.00 1 c R
H(15) H 0.2906 0.3325 0.7973 0.044 Uiso 1.00 1 c R
H(16) H 0.1606 0.2494 0.7527 0.059 Uiso 1.00 1 c R
H(17) H 0.2026 0.1262 0.7388 0.064 Uiso 1.00 1 c R
H(18) H 0.3749 0.0858 0.7681 0.057 Uiso 1.00 1 c R
H(19) H 0.5081 0.1689 0.8073 0.043 Uiso 1.00 1 c R
H(20) H 0.3775 0.5673 0.8366 0.036 Uiso 1.00 1 c R
H(21) H 0.2959 0.5614 0.9433 0.046 Uiso 1.00 1 c R
H(22) H 0.3016 0.4544 1.0044 0.051 Uiso 1.00 1 c R
H(23) H 0.3960 0.3534 0.9613 0.042 Uiso 1.00 1 c R
H(24) H 0.7091 0.3462 0.9185 0.040 Uiso 1.00 1 c R
H(25) H 0.7774 0.2983 1.0188 0.055 Uiso 1.00 1 c R
H(26) H 0.6860 0.2026 1.0712 0.057 Uiso 1.00 1 c R
H(27) H 0.5250 0.1548 1.0237 0.049 Uiso 1.00 1 c R
H(28) H 0.4536 0.2047 0.9254 0.040 Uiso 1.00 1 c R
H(29) H 0.7690 0.4542 0.8676 0.033 Uiso 1.00 1 c R
H(30) H 0.8828 0.5296 0.9351 0.042 Uiso 1.00 1 c R
H(31) H 1.0715 0.5275 0.9202 0.044 Uiso 1.00 1 c R
H(32) H 1.1471 0.4493 0.8380 0.043 Uiso 1.00 1 c R
H(33) H 1.0335 0.3736 0.7702 0.038 Uiso 1.00 1 c R
H(34) H 0.8452 0.4321 0.6551 0.034 Uiso 1.00 1 c R
H(35) H 0.9276 0.4204 0.5491 0.039 Uiso 1.00 1 c R
H(36) H 1.0035 0.3092 0.5139 0.042 Uiso 1.00 1 c R
H(37) H 0.9991 0.2107 0.5869 0.050 Uiso 1.00 1 c R
H(38) H 0.9237 0.2234 0.6959 0.041 Uiso 1.00 1 c R
H(39) H 0.6893 0.2047 0.7664 0.035 Uiso 1.00 1 c R
H(40) H 0.7164 0.0896 0.8114 0.044 Uiso 1.00 1 c R
H(41) H 0.8668 0.0700 0.8819 0.046 Uiso 1.00 1 c R
H(42) H 0.9870 0.1662 0.9089 0.044 Uiso 1.00 1 c R
H(43) H 0.9638 0.2804 0.8609 0.037 Uiso 1.00 1 c R
H(44) H 0.5422 0.5891 0.7504 0.033 Uiso 1.00 1 c R
H(45) H 0.4462 0.5712 0.6970 0.033 Uiso 1.00 1 c R
H(46) H 0.5702 0.5562 0.6764 0.033 Uiso 1.00 1 c R
H(47) H 0.7960 -0.1545 0.9229 0.041 Uiso 1.00 1 c R
H(48) H 0.7292 -0.2015 1.0243 0.056 Uiso 1.00 1 c R
H(49) H 0.8129 -0.3005 1.0737 0.054 Uiso 1.00 1 c R
H(50) H 0.9681 -0.3509 1.0232 0.048 Uiso 1.00 1 c R
H(51) H 1.0384 -0.3018 0.9239 0.038 Uiso 1.00 1 c R
H(52) H 1.1338 0.0649 0.8461 0.035 Uiso 1.00 1 c R
H(53) H 1.2165 0.0550 0.9527 0.043 Uiso 1.00 1 c R
H(54) H 1.2053 -0.0548 1.0102 0.048 Uiso 1.00 1 c R
H(55) H 1.1062 -0.1539 0.9633 0.039 Uiso 1.00 1 c R
H(56) H 0.9849 -0.3333 0.8055 0.036 Uiso 1.00 1 c R
H(57) H 1.1157 -0.4144 0.7635 0.046 Uiso 1.00 1 c R
H(58) H 1.2890 -0.3717 0.7346 0.052 Uiso 1.00 1 c R
H(59) H 1.3360 -0.2492 0.7537 0.051 Uiso 1.00 1 c R
H(60) H 1.2084 -0.1684 0.8007 0.038 Uiso 1.00 1 c R
H(61) H 0.7547 -0.2530 0.6036 0.047 Uiso 1.00 1 c R
H(62) H 0.7240 -0.3770 0.5796 0.058 Uiso 1.00 1 c R
H(63) H 0.8682 -0.4591 0.5888 0.066 Uiso 1.00 1 c R
H(64) H 1.0391 -0.4172 0.6246 0.060 Uiso 1.00 1 c R
H(65) H 1.0711 -0.2930 0.6498 0.042 Uiso 1.00 1 c R
H(66) H 1.2428 -0.0236 0.7248 0.035 Uiso 1.00 1 c R
H(67) H 1.3664 -0.0790 0.6506 0.041 Uiso 1.00 1 c R
H(68) H 1.3046 -0.1637 0.5678 0.042 Uiso 1.00 1 c R
H(69) H 1.1212 -0.2006 0.5650 0.036 Uiso 1.00 1 c R
H(70) H 0.8794 -0.0179 0.6218 0.051 Uiso 1.00 1 c R
H(71) H 0.8414 0.0473 0.5245 0.070 Uiso 1.00 1 c R
H(72) H 0.8154 -0.0138 0.4204 0.079 Uiso 1.00 1 c R
H(73) H 0.8257 -0.1393 0.4139 0.080 Uiso 1.00 1 c R
H(74) H 0.8705 -0.2060 0.5101 0.056 Uiso 1.00 1 c R
H(75) H 0.6701 -0.0760 0.6519 0.031 Uiso 1.00 1 c R
H(76) H 0.5902 -0.0925 0.5442 0.038 Uiso 1.00 1 c R
H(77) H 0.4982 -0.2014 0.5160 0.041 Uiso 1.00 1 c R
H(78) H 0.4791 -0.2922 0.5968 0.043 Uiso 1.00 1 c R
H(79) H 0.5564 -0.2755 0.7051 0.034 Uiso 1.00 1 c R
H(80) H 0.7312 -0.0474 0.8713 0.031 Uiso 1.00 1 c R
H(81) H 0.6181 0.0277 0.9369 0.040 Uiso 1.00 1 c R
H(82) H 0.4295 0.0220 0.9217 0.040 Uiso 1.00 1 c R
H(83) H 0.3532 -0.0589 0.8401 0.041 Uiso 1.00 1 c R
H(84) H 0.4658 -0.1339 0.7742 0.036 Uiso 1.00 1 c R
H(85) H 0.8044 -0.2965 0.7578 0.034 Uiso 1.00 1 c R
H(86) H 0.7829 -0.4124 0.8038 0.043 Uiso 1.00 1 c R
H(87) H 0.6445 -0.4346 0.8824 0.047 Uiso 1.00 1 c R
H(88) H 0.5288 -0.3408 0.9162 0.044 Uiso 1.00 1 c R
H(89) H 0.5476 -0.2253 0.8694 0.036 Uiso 1.00 1 c R
H(90) H 1.0114 0.0579 0.6734 0.036 Uiso 1.00 1 c R
H(91) H 1.0423 0.0892 0.7479 0.036 Uiso 1.00 1 c R
H(92) H 0.9172 0.0744 0.7278 0.036 Uiso 1.00 1 c R
H(93) H 0.6317(17) 0.4450(11) 0.7616(10) 0.033(5) Uiso 1.00 1 c .
H(94) H 0.870(2) -0.0527(15) 0.7735(14) 0.061(7) Uiso 1.00 1 c .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.003 0.002
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.000 0.000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
Ni Ni 0.339 1.112
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
P P 0.102 0.094
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Si Si 0.082 0.070
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
P(1) Ni(1) P(2) 110.634(15) yes
P(1) Ni(1) P(3) 111.011(16) yes
P(1) Ni(1) Si(1) 88.271(15) yes
P(2) Ni(1) P(3) 112.320(16) yes
P(2) Ni(1) Si(1) 85.902(15) yes
P(3) Ni(1) Si(1) 144.674(16) yes
P(4) Ni(2) P(5) 111.468(15) yes
P(4) Ni(2) P(6) 111.632(15) yes
P(4) Ni(2) Si(2) 85.730(14) yes
P(5) Ni(2) P(6) 109.576(15) yes
P(5) Ni(2) Si(2) 87.446(15) yes
P(6) Ni(2) Si(2) 147.388(16) yes
Ni(1) P(1) C(1) 122.00(5) yes
Ni(1) P(1) C(7) 107.91(5) yes
Ni(1) P(1) C(13) 118.59(5) yes
C(1) P(1) C(7) 98.63(7) yes
C(1) P(1) C(13) 101.76(8) yes
C(7) P(1) C(13) 105.16(8) yes
Ni(1) P(2) C(19) 115.96(5) yes
Ni(1) P(2) C(25) 109.11(5) yes
Ni(1) P(2) C(31) 124.60(5) yes
C(19) P(2) C(25) 102.29(7) yes
C(19) P(2) C(31) 101.28(7) yes
C(25) P(2) C(31) 100.56(7) yes
Ni(1) P(3) C(37) 119.75(5) yes
Ni(1) P(3) C(43) 114.57(5) yes
Ni(1) P(3) C(49) 115.79(5) yes
C(37) P(3) C(43) 100.40(7) yes
C(37) P(3) C(49) 101.95(7) yes
C(43) P(3) C(49) 101.66(7) yes
Ni(2) P(4) C(56) 124.54(5) yes
Ni(2) P(4) C(62) 108.32(5) yes
Ni(2) P(4) C(68) 117.20(5) yes
C(56) P(4) C(62) 99.91(7) yes
C(56) P(4) C(68) 101.49(7) yes
C(62) P(4) C(68) 102.03(7) yes
Ni(2) P(5) C(74) 118.07(5) yes
Ni(2) P(5) C(80) 107.32(5) yes
Ni(2) P(5) C(86) 122.76(6) yes
C(74) P(5) C(80) 106.94(7) yes
C(74) P(5) C(86) 101.60(8) yes
C(80) P(5) C(86) 97.51(7) yes
Ni(2) P(6) C(92) 115.63(5) yes
Ni(2) P(6) C(98) 119.67(5) yes
Ni(2) P(6) C(104) 114.60(5) yes
C(92) P(6) C(98) 100.64(7) yes
C(92) P(6) C(104) 100.93(7) yes
C(98) P(6) C(104) 102.69(7) yes
Ni(1) Si(1) C(8) 100.77(5) yes
Ni(1) Si(1) C(26) 104.92(5) yes
Ni(1) Si(1) C(55) 131.70(5) yes
C(8) Si(1) C(26) 105.55(6) yes
C(8) Si(1) C(55) 101.89(7) yes
C(26) Si(1) C(55) 109.15(7) yes
Ni(2) Si(2) C(63) 105.36(5) yes
Ni(2) Si(2) C(81) 100.64(5) yes
Ni(2) Si(2) C(110) 130.41(5) yes
C(63) Si(2) C(81) 104.57(7) yes
C(63) Si(2) C(110) 109.54(7) yes
C(81) Si(2) C(110) 103.35(7) yes
P(1) C(1) C(2) 116.88(13) yes
P(1) C(1) C(6) 125.36(14) yes
C(2) C(1) C(6) 117.75(16) yes
C(1) C(2) C(3) 121.39(19) yes
C(2) C(3) C(4) 119.8(2) yes
C(3) C(4) C(5) 119.96(19) yes
C(4) C(5) C(6) 120.04(18) yes
C(1) C(6) C(5) 121.06(18) yes
P(1) C(7) C(8) 114.75(11) yes
P(1) C(7) C(12) 124.91(12) yes
C(8) C(7) C(12) 120.33(15) yes
Si(1) C(8) C(7) 119.42(11) yes
Si(1) C(8) C(9) 122.05(12) yes
C(7) C(8) C(9) 118.37(14) yes
C(8) C(9) C(10) 121.29(16) yes
C(9) C(10) C(11) 119.65(17) yes
C(10) C(11) C(12) 120.14(17) yes
C(7) C(12) C(11) 119.89(16) yes
P(1) C(13) C(14) 124.76(14) yes
P(1) C(13) C(18) 117.43(14) yes
C(14) C(13) C(18) 117.67(17) yes
C(13) C(14) C(15) 120.5(2) yes
C(14) C(15) C(16) 121.0(2) yes
C(15) C(16) C(17) 119.8(2) yes
C(16) C(17) C(18) 120.0(2) yes
C(13) C(18) C(17) 120.9(2) yes
P(2) C(19) C(20) 121.94(14) yes
P(2) C(19) C(24) 119.78(13) yes
C(20) C(19) C(24) 118.04(17) yes
C(19) C(20) C(21) 120.6(2) yes
C(20) C(21) C(22) 120.2(2) yes
C(21) C(22) C(23) 119.9(2) yes
C(22) C(23) C(24) 120.1(2) yes
C(19) C(24) C(23) 121.06(19) yes
P(2) C(25) C(26) 115.73(11) yes
P(2) C(25) C(30) 123.75(13) yes
C(26) C(25) C(30) 120.52(16) yes
Si(1) C(26) C(25) 116.52(11) yes
Si(1) C(26) C(27) 125.18(13) yes
C(25) C(26) C(27) 118.24(15) yes
C(26) C(27) C(28) 120.76(17) yes
C(27) C(28) C(29) 120.22(19) yes
C(28) C(29) C(30) 120.34(18) yes
C(25) C(30) C(29) 119.90(18) yes
P(2) C(31) C(32) 118.13(13) yes
P(2) C(31) C(36) 123.87(13) yes
C(32) C(31) C(36) 117.97(16) yes
C(31) C(32) C(33) 120.78(18) yes
C(32) C(33) C(34) 120.4(2) yes
C(33) C(34) C(35) 119.8(2) yes
C(34) C(35) C(36) 119.9(2) yes
C(31) C(36) C(35) 121.22(17) yes
P(3) C(37) C(38) 119.52(12) yes
P(3) C(37) C(42) 121.95(12) yes
C(38) C(37) C(42) 118.47(15) yes
C(37) C(38) C(39) 120.76(16) yes
C(38) C(39) C(40) 120.17(17) yes
C(39) C(40) C(41) 120.02(17) yes
C(40) C(41) C(42) 119.82(17) yes
C(37) C(42) C(41) 120.74(17) yes
P(3) C(43) C(44) 117.71(12) yes
P(3) C(43) C(48) 123.39(13) yes
C(44) C(43) C(48) 118.70(15) yes
C(43) C(44) C(45) 120.76(16) yes
C(44) C(45) C(46) 120.46(17) yes
C(45) C(46) C(47) 119.36(18) yes
C(46) C(47) C(48) 120.58(19) yes
C(43) C(48) C(47) 120.10(18) yes
P(3) C(49) C(50) 116.62(12) yes
P(3) C(49) C(54) 124.77(12) yes
C(50) C(49) C(54) 118.60(15) yes
C(49) C(50) C(51) 120.89(16) yes
C(50) C(51) C(52) 119.93(17) yes
C(51) C(52) C(53) 119.82(18) yes
C(52) C(53) C(54) 120.30(18) yes
C(49) C(54) C(53) 120.42(16) yes
P(4) C(56) C(57) 117.75(13) yes
P(4) C(56) C(61) 124.16(12) yes
C(57) C(56) C(61) 118.00(16) yes
C(56) C(57) C(58) 120.69(19) yes
C(57) C(58) C(59) 120.5(2) yes
C(58) C(59) C(60) 119.68(19) yes
C(59) C(60) C(61) 119.80(19) yes
C(56) C(61) C(60) 121.29(17) yes
P(4) C(62) C(63) 116.12(11) yes
P(4) C(62) C(67) 123.36(13) yes
C(63) C(62) C(67) 120.52(15) yes
Si(2) C(63) C(62) 115.98(11) yes
Si(2) C(63) C(64) 125.80(13) yes
C(62) C(63) C(64) 118.17(15) yes
C(63) C(64) C(65) 121.08(17) yes
C(64) C(65) C(66) 119.92(17) yes
C(65) C(66) C(67) 120.23(18) yes
C(62) C(67) C(66) 120.06(17) yes
P(4) C(68) C(69) 119.73(12) yes
P(4) C(68) C(73) 121.32(13) yes
C(69) C(68) C(73) 118.72(15) yes
C(68) C(69) C(70) 120.34(16) yes
C(69) C(70) C(71) 120.30(18) yes
C(70) C(71) C(72) 119.92(19) yes
C(71) C(72) C(73) 120.13(18) yes
C(68) C(73) C(72) 120.56(18) yes
P(5) C(74) C(75) 117.32(14) yes
P(5) C(74) C(79) 123.63(14) yes
C(75) C(74) C(79) 118.79(17) yes
C(74) C(75) C(76) 121.1(2) yes
C(75) C(76) C(77) 119.5(2) yes
C(76) C(77) C(78) 119.9(2) yes
C(77) C(78) C(79) 121.0(2) yes
C(74) C(79) C(78) 119.7(2) yes
P(5) C(80) C(81) 114.04(11) yes
P(5) C(80) C(85) 125.10(12) yes
C(81) C(80) C(85) 120.78(14) yes
Si(2) C(81) C(80) 118.97(11) yes
Si(2) C(81) C(82) 122.93(12) yes
C(80) C(81) C(82) 118.06(14) yes
C(81) C(82) C(83) 120.91(16) yes
C(82) C(83) C(84) 120.01(16) yes
C(83) C(84) C(85) 120.27(17) yes
C(80) C(85) C(84) 119.71(16) yes
P(5) C(86) C(87) 117.13(14) yes
P(5) C(86) C(91) 124.64(16) yes
C(87) C(86) C(91) 118.02(18) yes
C(86) C(87) C(88) 121.0(2) yes
C(87) C(88) C(89) 120.1(2) yes
C(88) C(89) C(90) 119.8(2) yes
C(89) C(90) C(91) 120.9(2) yes
C(86) C(91) C(90) 120.2(2) yes
P(6) C(92) C(93) 117.29(12) yes
P(6) C(92) C(97) 123.83(12) yes
C(93) C(92) C(97) 118.62(15) yes
C(92) C(93) C(94) 120.67(16) yes
C(93) C(94) C(95) 119.97(17) yes
C(94) C(95) C(96) 120.03(16) yes
C(95) C(96) C(97) 120.13(17) yes
C(92) C(97) C(96) 120.54(16) yes
P(6) C(98) C(99) 119.69(12) yes
P(6) C(98) C(103) 122.23(12) yes
C(99) C(98) C(103) 118.07(15) yes
C(98) C(99) C(100) 120.80(16) yes
C(99) C(100) C(101) 120.31(17) yes
C(100) C(101) C(102) 119.84(17) yes
C(101) C(102) C(103) 119.87(16) yes
C(98) C(103) C(102) 121.09(16) yes
P(6) C(104) C(105) 116.28(12) yes
P(6) C(104) C(109) 124.70(13) yes
C(105) C(104) C(109) 119.02(15) yes
C(104) C(105) C(106) 120.29(16) yes
C(105) C(106) C(107) 120.11(17) yes
C(106) C(107) C(108) 119.98(18) yes
C(107) C(108) C(109) 120.19(18) yes
C(104) C(109) C(108) 120.40(17) yes
P(1) Ni(1) H(93) 115.3(8) no
P(2) Ni(1) H(93) 107.2(8) no
P(3) Ni(1) H(93) 99.9(8) no
Si(1) Ni(1) H(93) 44.8(8) no
P(4) Ni(2) H(94) 105.1(10) no
P(5) Ni(2) H(94) 118.6(10) no
P(6) Ni(2) H(94) 99.9(10) no
Si(2) Ni(2) H(94) 47.8(10) no
Ni(1) Si(1) H(93) 38.8(7) no
C(8) Si(1) H(93) 134.7(7) no
C(26) Si(1) H(93) 105.0(7) no
C(55) Si(1) H(93) 98.7(7) no
Ni(2) Si(2) H(94) 40.1(9) no
C(63) Si(2) H(94) 101.5(9) no
C(81) Si(2) H(94) 138.0(9) no
C(110) Si(2) H(94) 98.2(9) no
C(1) C(2) H(1) 119.3 no
C(3) C(2) H(1) 119.3 no
C(2) C(3) H(2) 120.1 no
C(4) C(3) H(2) 120.1 no
C(3) C(4) H(3) 120.0 no
C(5) C(4) H(3) 120.0 no
C(4) C(5) H(4) 120.0 no
C(6) C(5) H(4) 120.0 no
C(1) C(6) H(5) 119.5 no
C(5) C(6) H(5) 119.5 no
C(8) C(9) H(6) 119.4 no
C(10) C(9) H(6) 119.4 no
C(9) C(10) H(7) 120.2 no
C(11) C(10) H(7) 120.2 no
C(10) C(11) H(8) 119.9 no
C(12) C(11) H(8) 119.9 no
C(7) C(12) H(9) 120.1 no
C(11) C(12) H(9) 120.0 no
C(13) C(14) H(10) 119.8 no
C(15) C(14) H(10) 119.8 no
C(14) C(15) H(11) 119.5 no
C(16) C(15) H(11) 119.5 no
C(15) C(16) H(12) 120.1 no
C(17) C(16) H(12) 120.1 no
C(16) C(17) H(13) 120.0 no
C(18) C(17) H(13) 120.0 no
C(13) C(18) H(14) 119.5 no
C(17) C(18) H(14) 119.5 no
C(19) C(20) H(15) 119.7 no
C(21) C(20) H(15) 119.7 no
C(20) C(21) H(16) 119.9 no
C(22) C(21) H(16) 119.9 no
C(21) C(22) H(17) 120.0 no
C(23) C(22) H(17) 120.0 no
C(22) C(23) H(18) 119.9 no
C(24) C(23) H(18) 119.9 no
C(19) C(24) H(19) 119.5 no
C(23) C(24) H(19) 119.5 no
C(26) C(27) H(20) 119.6 no
C(28) C(27) H(20) 119.6 no
C(27) C(28) H(21) 119.9 no
C(29) C(28) H(21) 119.9 no
C(28) C(29) H(22) 119.8 no
C(30) C(29) H(22) 119.8 no
C(25) C(30) H(23) 120.1 no
C(29) C(30) H(23) 120.0 no
C(31) C(32) H(24) 119.6 no
C(33) C(32) H(24) 119.6 no
C(32) C(33) H(25) 119.8 no
C(34) C(33) H(25) 119.8 no
C(33) C(34) H(26) 120.1 no
C(35) C(34) H(26) 120.1 no
C(34) C(35) H(27) 120.0 no
C(36) C(35) H(27) 120.1 no
C(31) C(36) H(28) 119.4 no
C(35) C(36) H(28) 119.4 no
C(37) C(38) H(29) 119.6 no
C(39) C(38) H(29) 119.6 no
C(38) C(39) H(30) 119.9 no
C(40) C(39) H(30) 119.9 no
C(39) C(40) H(31) 120.0 no
C(41) C(40) H(31) 120.0 no
C(40) C(41) H(32) 120.1 no
C(42) C(41) H(32) 120.1 no
C(37) C(42) H(33) 119.6 no
C(41) C(42) H(33) 119.6 no
C(43) C(44) H(34) 119.6 no
C(45) C(44) H(34) 119.6 no
C(44) C(45) H(35) 119.8 no
C(46) C(45) H(35) 119.8 no
C(45) C(46) H(36) 120.3 no
C(47) C(46) H(36) 120.3 no
C(46) C(47) H(37) 119.7 no
C(48) C(47) H(37) 119.7 no
C(43) C(48) H(38) 119.9 no
C(47) C(48) H(38) 120.0 no
C(49) C(50) H(39) 119.6 no
C(51) C(50) H(39) 119.5 no
C(50) C(51) H(40) 120.0 no
C(52) C(51) H(40) 120.0 no
C(51) C(52) H(41) 120.1 no
C(53) C(52) H(41) 120.1 no
C(52) C(53) H(42) 119.8 no
C(54) C(53) H(42) 119.9 no
C(49) C(54) H(43) 119.8 no
C(53) C(54) H(43) 119.8 no
Si(1) C(55) H(44) 109.5 no
Si(1) C(55) H(45) 109.5 no
Si(1) C(55) H(46) 109.5 no
H(44) C(55) H(45) 109.5 no
H(44) C(55) H(46) 109.5 no
H(45) C(55) H(46) 109.5 no
C(56) C(57) H(47) 119.6 no
C(58) C(57) H(47) 119.7 no
C(57) C(58) H(48) 119.7 no
C(59) C(58) H(48) 119.8 no
C(58) C(59) H(49) 120.2 no
C(60) C(59) H(49) 120.2 no
C(59) C(60) H(50) 120.1 no
C(61) C(60) H(50) 120.1 no
C(56) C(61) H(51) 119.4 no
C(60) C(61) H(51) 119.4 no
C(63) C(64) H(52) 119.5 no
C(65) C(64) H(52) 119.5 no
C(64) C(65) H(53) 120.0 no
C(66) C(65) H(53) 120.0 no
C(65) C(66) H(54) 119.9 no
C(67) C(66) H(54) 119.9 no
C(62) C(67) H(55) 120.0 no
C(66) C(67) H(55) 120.0 no
C(68) C(69) H(56) 119.8 no
C(70) C(69) H(56) 119.8 no
C(69) C(70) H(57) 119.9 no
C(71) C(70) H(57) 119.8 no
C(70) C(71) H(58) 120.0 no
C(72) C(71) H(58) 120.0 no
C(71) C(72) H(59) 119.9 no
C(73) C(72) H(59) 119.9 no
C(68) C(73) H(60) 119.7 no
C(72) C(73) H(60) 119.7 no
C(74) C(75) H(61) 119.5 no
C(76) C(75) H(61) 119.5 no
C(75) C(76) H(62) 120.3 no
C(77) C(76) H(62) 120.3 no
C(76) C(77) H(63) 120.0 no
C(78) C(77) H(63) 120.0 no
C(77) C(78) H(64) 119.5 no
C(79) C(78) H(64) 119.5 no
C(74) C(79) H(65) 120.2 no
C(78) C(79) H(65) 120.2 no
C(81) C(82) H(66) 119.5 no
C(83) C(82) H(66) 119.5 no
C(82) C(83) H(67) 120.0 no
C(84) C(83) H(67) 120.0 no
C(83) C(84) H(68) 119.9 no
C(85) C(84) H(68) 119.9 no
C(80) C(85) H(69) 120.1 no
C(84) C(85) H(69) 120.1 no
C(86) C(87) H(70) 119.5 no
C(88) C(87) H(70) 119.5 no
C(87) C(88) H(71) 120.0 no
C(89) C(88) H(71) 119.9 no
C(88) C(89) H(72) 120.1 no
C(90) C(89) H(72) 120.1 no
C(89) C(90) H(73) 119.6 no
C(91) C(90) H(73) 119.6 no
C(86) C(91) H(74) 119.9 no
C(90) C(91) H(74) 119.9 no
C(92) C(93) H(75) 119.7 no
C(94) C(93) H(75) 119.7 no
C(93) C(94) H(76) 120.0 no
C(95) C(94) H(76) 120.0 no
C(94) C(95) H(77) 120.0 no
C(96) C(95) H(77) 120.0 no
C(95) C(96) H(78) 119.9 no
C(97) C(96) H(78) 119.9 no
C(92) C(97) H(79) 119.7 no
C(96) C(97) H(79) 119.7 no
C(98) C(99) H(80) 119.6 no
C(100) C(99) H(80) 119.6 no
C(99) C(100) H(81) 119.8 no
C(101) C(100) H(81) 119.9 no
C(100) C(101) H(82) 120.1 no
C(102) C(101) H(82) 120.1 no
C(101) C(102) H(83) 120.1 no
C(103) C(102) H(83) 120.1 no
C(98) C(103) H(84) 119.5 no
C(102) C(103) H(84) 119.4 no
C(104) C(105) H(85) 119.8 no
C(106) C(105) H(85) 119.9 no
C(105) C(106) H(86) 119.9 no
C(107) C(106) H(86) 119.9 no
C(106) C(107) H(87) 120.0 no
C(108) C(107) H(87) 120.0 no
C(107) C(108) H(88) 119.9 no
C(109) C(108) H(88) 119.9 no
C(104) C(109) H(89) 119.8 no
C(108) C(109) H(89) 119.8 no
Si(2) C(110) H(90) 109.5 no
Si(2) C(110) H(91) 109.5 no
Si(2) C(110) H(92) 109.5 no
H(90) C(110) H(91) 109.5 no
H(90) C(110) H(92) 109.5 no
H(91) C(110) H(92) 109.5 no
Ni(1) H(93) Si(1) 96.4(11) no
Ni(2) H(94) Si(2) 92.1(14) no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Ni(1) P(1) 2.2003(4) yes
Ni(1) P(2) 2.2007(4) yes
Ni(1) P(3) 2.1932(4) yes
Ni(1) Si(1) 2.2782(4) yes
Ni(2) P(4) 2.2164(4) yes
Ni(2) P(5) 2.1872(4) yes
Ni(2) P(6) 2.1971(4) yes
Ni(2) Si(2) 2.2639(4) yes
P(1) C(1) 1.8526(16) yes
P(1) C(7) 1.8407(16) yes
P(1) C(13) 1.8351(16) yes
P(2) C(19) 1.8382(17) yes
P(2) C(25) 1.8465(16) yes
P(2) C(31) 1.8470(16) yes
P(3) C(37) 1.8460(16) yes
P(3) C(43) 1.8357(16) yes
P(3) C(49) 1.8334(16) yes
P(4) C(56) 1.8458(16) yes
P(4) C(62) 1.8464(16) yes
P(4) C(68) 1.8479(16) yes
P(5) C(74) 1.8237(18) yes
P(5) C(80) 1.8404(16) yes
P(5) C(86) 1.8479(18) yes
P(6) C(92) 1.8366(15) yes
P(6) C(98) 1.8415(16) yes
P(6) C(104) 1.8326(16) yes
Si(1) C(8) 1.9102(16) yes
Si(1) C(26) 1.8901(16) yes
Si(1) C(55) 1.8949(17) yes
Si(2) C(63) 1.8875(16) yes
Si(2) C(81) 1.9157(16) yes
Si(2) C(110) 1.8995(17) yes
C(1) C(2) 1.389(2) yes
C(1) C(6) 1.390(2) yes
C(2) C(3) 1.386(3) yes
C(3) C(4) 1.384(3) yes
C(4) C(5) 1.370(3) yes
C(5) C(6) 1.394(2) yes
C(7) C(8) 1.400(2) yes
C(7) C(12) 1.401(2) yes
C(8) C(9) 1.400(2) yes
C(9) C(10) 1.385(2) yes
C(10) C(11) 1.392(2) yes
C(11) C(12) 1.388(2) yes
C(13) C(14) 1.394(2) yes
C(13) C(18) 1.396(2) yes
C(14) C(15) 1.393(2) yes
C(15) C(16) 1.355(4) yes
C(16) C(17) 1.380(4) yes
C(17) C(18) 1.391(3) yes
C(19) C(20) 1.395(2) yes
C(19) C(24) 1.399(2) yes
C(20) C(21) 1.395(3) yes
C(21) C(22) 1.383(3) yes
C(22) C(23) 1.375(3) yes
C(23) C(24) 1.390(3) yes
C(25) C(26) 1.405(2) yes
C(25) C(30) 1.390(2) yes
C(26) C(27) 1.405(2) yes
C(27) C(28) 1.384(2) yes
C(28) C(29) 1.377(3) yes
C(29) C(30) 1.389(3) yes
C(31) C(32) 1.386(2) yes
C(31) C(36) 1.395(2) yes
C(32) C(33) 1.391(2) yes
C(33) C(34) 1.378(3) yes
C(34) C(35) 1.378(3) yes
C(35) C(36) 1.387(2) yes
C(37) C(38) 1.388(2) yes
C(37) C(42) 1.400(2) yes
C(38) C(39) 1.391(2) yes
C(39) C(40) 1.385(2) yes
C(40) C(41) 1.382(2) yes
C(41) C(42) 1.395(2) yes
C(43) C(44) 1.395(2) yes
C(43) C(48) 1.396(2) yes
C(44) C(45) 1.379(2) yes
C(45) C(46) 1.390(2) yes
C(46) C(47) 1.380(3) yes
C(47) C(48) 1.395(2) yes
C(49) C(50) 1.389(2) yes
C(49) C(54) 1.399(2) yes
C(50) C(51) 1.390(2) yes
C(51) C(52) 1.388(2) yes
C(52) C(53) 1.380(2) yes
C(53) C(54) 1.391(2) yes
C(56) C(57) 1.389(2) yes
C(56) C(61) 1.401(2) yes
C(57) C(58) 1.391(3) yes
C(58) C(59) 1.379(3) yes
C(59) C(60) 1.387(3) yes
C(60) C(61) 1.384(2) yes
C(62) C(63) 1.406(2) yes
C(62) C(67) 1.394(2) yes
C(63) C(64) 1.401(2) yes
C(64) C(65) 1.393(2) yes
C(65) C(66) 1.381(2) yes
C(66) C(67) 1.390(2) yes
C(68) C(69) 1.398(2) yes
C(68) C(73) 1.387(2) yes
C(69) C(70) 1.394(2) yes
C(70) C(71) 1.379(3) yes
C(71) C(72) 1.378(3) yes
C(72) C(73) 1.400(2) yes
C(74) C(75) 1.408(2) yes
C(74) C(79) 1.393(2) yes
C(75) C(76) 1.386(3) yes
C(76) C(77) 1.394(3) yes
C(77) C(78) 1.379(4) yes
C(78) C(79) 1.398(2) yes
C(80) C(81) 1.398(2) yes
C(80) C(85) 1.402(2) yes
C(81) C(82) 1.410(2) yes
C(82) C(83) 1.387(2) yes
C(83) C(84) 1.387(2) yes
C(84) C(85) 1.386(2) yes
C(86) C(87) 1.395(2) yes
C(86) C(91) 1.383(2) yes
C(87) C(88) 1.385(3) yes
C(88) C(89) 1.373(3) yes
C(89) C(90) 1.358(4) yes
C(90) C(91) 1.400(3) yes
C(92) C(93) 1.397(2) yes
C(92) C(97) 1.392(2) yes
C(93) C(94) 1.393(2) yes
C(94) C(95) 1.379(2) yes
C(95) C(96) 1.386(2) yes
C(96) C(97) 1.392(2) yes
C(98) C(99) 1.395(2) yes
C(98) C(103) 1.400(2) yes
C(99) C(100) 1.392(2) yes
C(100) C(101) 1.382(2) yes
C(101) C(102) 1.387(2) yes
C(102) C(103) 1.391(2) yes
C(104) C(105) 1.395(2) yes
C(104) C(109) 1.391(2) yes
C(105) C(106) 1.390(2) yes
C(106) C(107) 1.384(2) yes
C(107) C(108) 1.381(2) yes
C(108) C(109) 1.389(2) yes
Ni(1) H(93) 1.44(2) no
Ni(2) H(94) 1.46(2) no
Si(1) H(93) 1.62(2) no
Si(2) H(94) 1.68(2) no
C(2) H(1) 0.950 no
C(3) H(2) 0.950 no
C(4) H(3) 0.950 no
C(5) H(4) 0.950 no
C(6) H(5) 0.950 no
C(9) H(6) 0.950 no
C(10) H(7) 0.950 no
C(11) H(8) 0.950 no
C(12) H(9) 0.950 no
C(14) H(10) 0.950 no
C(15) H(11) 0.950 no
C(16) H(12) 0.950 no
C(17) H(13) 0.950 no
C(18) H(14) 0.950 no
C(20) H(15) 0.950 no
C(21) H(16) 0.950 no
C(22) H(17) 0.950 no
C(23) H(18) 0.950 no
C(24) H(19) 0.950 no
C(27) H(20) 0.950 no
C(28) H(21) 0.950 no
C(29) H(22) 0.950 no
C(30) H(23) 0.950 no
C(32) H(24) 0.950 no
C(33) H(25) 0.950 no
C(34) H(26) 0.950 no
C(35) H(27) 0.950 no
C(36) H(28) 0.950 no
C(38) H(29) 0.950 no
C(39) H(30) 0.950 no
C(40) H(31) 0.950 no
C(41) H(32) 0.950 no
C(42) H(33) 0.950 no
C(44) H(34) 0.950 no
C(45) H(35) 0.950 no
C(46) H(36) 0.950 no
C(47) H(37) 0.950 no
C(48) H(38) 0.950 no
C(50) H(39) 0.950 no
C(51) H(40) 0.950 no
C(52) H(41) 0.950 no
C(53) H(42) 0.950 no
C(54) H(43) 0.950 no
C(55) H(44) 0.980 no
C(55) H(45) 0.980 no
C(55) H(46) 0.980 no
C(57) H(47) 0.950 no
C(58) H(48) 0.950 no
C(59) H(49) 0.950 no
C(60) H(50) 0.950 no
C(61) H(51) 0.950 no
C(64) H(52) 0.950 no
C(65) H(53) 0.950 no
C(66) H(54) 0.950 no
C(67) H(55) 0.950 no
C(69) H(56) 0.950 no
C(70) H(57) 0.950 no
C(71) H(58) 0.950 no
C(72) H(59) 0.950 no
C(73) H(60) 0.950 no
C(75) H(61) 0.950 no
C(76) H(62) 0.950 no
C(77) H(63) 0.950 no
C(78) H(64) 0.950 no
C(79) H(65) 0.950 no
C(82) H(66) 0.950 no
C(83) H(67) 0.950 no
C(84) H(68) 0.950 no
C(85) H(69) 0.950 no
C(87) H(70) 0.950 no
C(88) H(71) 0.950 no
C(89) H(72) 0.950 no
C(90) H(73) 0.950 no
C(91) H(74) 0.950 no
C(93) H(75) 0.950 no
C(94) H(76) 0.950 no
C(95) H(77) 0.950 no
C(96) H(78) 0.950 no
C(97) H(79) 0.950 no
C(99) H(80) 0.950 no
C(100) H(81) 0.950 no
C(101) H(82) 0.950 no
C(102) H(83) 0.950 no
C(103) H(84) 0.950 no
C(105) H(85) 0.950 no
C(106) H(86) 0.950 no
C(107) H(87) 0.950 no
C(108) H(88) 0.950 no
C(109) H(89) 0.950 no
C(110) H(90) 0.980 no
C(110) H(91) 0.980 no
C(110) H(92) 0.980 no
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
P(1) Ni(1) P(2) C(19) 4.72(6)
P(1) Ni(1) P(2) C(25) -110.07(5)
P(1) Ni(1) P(2) C(31) 131.60(6)
P(2) Ni(1) P(1) C(1) 173.89(6)
P(2) Ni(1) P(1) C(7) 61.08(5)
P(2) Ni(1) P(1) C(13) -58.21(7)
P(1) Ni(1) P(3) C(37) 144.28(6)
P(1) Ni(1) P(3) C(43) 24.94(6)
P(1) Ni(1) P(3) C(49) -92.95(5)
P(3) Ni(1) P(1) C(1) -60.70(7)
P(3) Ni(1) P(1) C(7) -173.52(5)
P(3) Ni(1) P(1) C(13) 67.20(7)
P(1) Ni(1) Si(1) C(8) 25.49(5)
P(1) Ni(1) Si(1) C(26) 134.94(5)
P(1) Ni(1) Si(1) C(55) -91.27(7)
Si(1) Ni(1) P(1) C(1) 88.93(6)
Si(1) Ni(1) P(1) C(7) -23.89(5)
Si(1) Ni(1) P(1) C(13) -143.17(7)
P(2) Ni(1) P(3) C(37) -91.26(6)
P(2) Ni(1) P(3) C(43) 149.40(5)
P(2) Ni(1) P(3) C(49) 31.51(6)
P(3) Ni(1) P(2) C(19) -119.95(6)
P(3) Ni(1) P(2) C(25) 125.27(5)
P(3) Ni(1) P(2) C(31) 6.94(6)
P(2) Ni(1) Si(1) C(8) -85.34(5)
P(2) Ni(1) Si(1) C(26) 24.11(5)
P(2) Ni(1) Si(1) C(55) 157.90(7)
Si(1) Ni(1) P(2) C(19) 91.32(6)
Si(1) Ni(1) P(2) C(25) -23.47(5)
Si(1) Ni(1) P(2) C(31) -141.80(6)
P(3) Ni(1) Si(1) C(8) 150.78(5)
P(3) Ni(1) Si(1) C(26) -99.76(5)
P(3) Ni(1) Si(1) C(55) 34.02(8)
Si(1) Ni(1) P(3) C(37) 25.20(7)
Si(1) Ni(1) P(3) C(43) -94.14(6)
Si(1) Ni(1) P(3) C(49) 147.97(5)
P(4) Ni(2) P(5) C(74) 65.83(6)
P(4) Ni(2) P(5) C(80) -54.98(5)
P(4) Ni(2) P(5) C(86) -166.29(7)
P(5) Ni(2) P(4) C(56) -133.51(6)
P(5) Ni(2) P(4) C(62) 109.87(5)
P(5) Ni(2) P(4) C(68) -4.77(6)
P(4) Ni(2) P(6) C(92) -145.70(5)
P(4) Ni(2) P(6) C(98) 93.70(6)
P(4) Ni(2) P(6) C(104) -28.90(5)
P(6) Ni(2) P(4) C(56) -10.60(6)
P(6) Ni(2) P(4) C(62) -127.22(5)
P(6) Ni(2) P(4) C(68) 118.13(5)
P(4) Ni(2) Si(2) C(63) -25.21(5)
P(4) Ni(2) Si(2) C(81) 83.28(5)
P(4) Ni(2) Si(2) C(110) -158.79(7)
Si(2) Ni(2) P(4) C(56) 140.93(6)
Si(2) Ni(2) P(4) C(62) 24.31(5)
Si(2) Ni(2) P(4) C(68) -90.34(5)
P(5) Ni(2) P(6) C(92) -21.72(6)
P(5) Ni(2) P(6) C(98) -142.32(6)
P(5) Ni(2) P(6) C(104) 95.07(5)
P(6) Ni(2) P(5) C(74) -58.25(6)
P(6) Ni(2) P(5) C(80) -179.06(5)
P(6) Ni(2) P(5) C(86) 69.63(7)
P(5) Ni(2) Si(2) C(63) -136.97(5)
P(5) Ni(2) Si(2) C(81) -28.48(5)
P(5) Ni(2) Si(2) C(110) 89.45(7)
Si(2) Ni(2) P(5) C(74) 150.23(6)
Si(2) Ni(2) P(5) C(80) 29.41(5)
Si(2) Ni(2) P(5) C(86) -81.89(7)
P(6) Ni(2) Si(2) C(63) 99.49(5)
P(6) Ni(2) Si(2) C(81) -152.03(5)
P(6) Ni(2) Si(2) C(110) -34.10(8)
Si(2) Ni(2) P(6) C(92) 96.19(6)
Si(2) Ni(2) P(6) C(98) -24.41(7)
Si(2) Ni(2) P(6) C(104) -147.02(5)
Ni(1) P(1) C(1) C(2) -60.86(16)
Ni(1) P(1) C(1) C(6) 119.72(14)
Ni(1) P(1) C(7) C(8) 13.99(13)
Ni(1) P(1) C(7) C(12) -166.88(13)
Ni(1) P(1) C(13) C(14) 108.64(15)
Ni(1) P(1) C(13) C(18) -67.06(16)
C(1) P(1) C(7) C(8) -113.76(13)
C(1) P(1) C(7) C(12) 65.37(16)
C(7) P(1) C(1) C(2) 56.62(16)
C(7) P(1) C(1) C(6) -122.80(15)
C(1) P(1) C(13) C(14) -114.48(16)
C(1) P(1) C(13) C(18) 69.82(16)
C(13) P(1) C(1) C(2) 164.19(15)
C(13) P(1) C(1) C(6) -15.23(17)
C(7) P(1) C(13) C(14) -12.06(18)
C(7) P(1) C(13) C(18) 172.24(15)
C(13) P(1) C(7) C(8) 141.48(12)
C(13) P(1) C(7) C(12) -39.39(16)
Ni(1) P(2) C(19) C(20) -90.81(15)
Ni(1) P(2) C(19) C(24) 83.43(15)
Ni(1) P(2) C(25) C(26) 16.83(13)
Ni(1) P(2) C(25) C(30) -163.18(13)
Ni(1) P(2) C(31) C(32) 36.12(16)
Ni(1) P(2) C(31) C(36) -145.74(13)
C(19) P(2) C(25) C(26) -106.51(13)
C(19) P(2) C(25) C(30) 73.48(16)
C(25) P(2) C(19) C(20) 27.79(17)
C(25) P(2) C(19) C(24) -157.97(14)
C(19) P(2) C(31) C(32) 168.95(14)
C(19) P(2) C(31) C(36) -12.90(16)
C(31) P(2) C(19) C(20) 131.37(15)
C(31) P(2) C(19) C(24) -54.40(16)
C(25) P(2) C(31) C(32) -86.10(14)
C(25) P(2) C(31) C(36) 92.05(15)
C(31) P(2) C(25) C(26) 149.35(12)
C(31) P(2) C(25) C(30) -30.66(16)
Ni(1) P(3) C(37) C(38) 25.72(15)
Ni(1) P(3) C(37) C(42) -157.20(12)
Ni(1) P(3) C(43) C(44) 57.33(14)
Ni(1) P(3) C(43) C(48) -117.37(14)
Ni(1) P(3) C(49) C(50) 34.50(14)
Ni(1) P(3) C(49) C(54) -146.60(13)
C(37) P(3) C(43) C(44) -72.36(14)
C(37) P(3) C(43) C(48) 112.93(15)
C(43) P(3) C(37) C(38) 152.02(13)
C(43) P(3) C(37) C(42) -30.91(16)
C(37) P(3) C(49) C(50) 166.24(13)
C(37) P(3) C(49) C(54) -14.86(16)
C(49) P(3) C(37) C(38) -103.57(14)
C(49) P(3) C(37) C(42) 73.50(15)
C(43) P(3) C(49) C(50) -90.34(13)
C(43) P(3) C(49) C(54) 88.56(15)
C(49) P(3) C(43) C(44) -177.01(13)
C(49) P(3) C(43) C(48) 8.28(16)
Ni(2) P(4) C(56) C(57) -37.03(16)
Ni(2) P(4) C(56) C(61) 146.58(12)
Ni(2) P(4) C(62) C(63) -17.41(13)
Ni(2) P(4) C(62) C(67) 162.72(13)
Ni(2) P(4) C(68) C(69) -83.99(13)
Ni(2) P(4) C(68) C(73) 90.48(14)
C(56) P(4) C(62) C(63) -149.03(12)
C(56) P(4) C(62) C(67) 31.10(15)
C(62) P(4) C(56) C(57) 83.48(14)
C(62) P(4) C(56) C(61) -92.91(15)
C(56) P(4) C(68) C(69) 55.04(14)
C(56) P(4) C(68) C(73) -130.50(14)
C(68) P(4) C(56) C(57) -171.96(13)
C(68) P(4) C(56) C(61) 11.66(16)
C(62) P(4) C(68) C(69) 157.92(13)
C(62) P(4) C(68) C(73) -27.62(15)
C(68) P(4) C(62) C(63) 106.85(13)
C(68) P(4) C(62) C(67) -73.03(15)
Ni(2) P(5) C(74) C(75) 79.62(14)
Ni(2) P(5) C(74) C(79) -94.45(15)
Ni(2) P(5) C(80) C(81) -21.40(13)
Ni(2) P(5) C(80) C(85) 161.72(13)
Ni(2) P(5) C(86) C(87) 39.65(17)
Ni(2) P(5) C(86) C(91) -145.69(15)
C(74) P(5) C(80) C(81) -149.01(12)
C(74) P(5) C(80) C(85) 34.11(16)
C(80) P(5) C(74) C(75) -159.38(13)
C(80) P(5) C(74) C(79) 26.56(17)
C(74) P(5) C(86) C(87) 174.34(15)
C(74) P(5) C(86) C(91) -11.01(18)
C(86) P(5) C(74) C(75) -57.73(15)
C(86) P(5) C(74) C(79) 128.21(15)
C(80) P(5) C(86) C(87) -76.57(16)
C(80) P(5) C(86) C(91) 98.08(17)
C(86) P(5) C(80) C(81) 106.39(13)
C(86) P(5) C(80) C(85) -70.49(16)
Ni(2) P(6) C(92) C(93) -49.16(14)
Ni(2) P(6) C(92) C(97) 124.88(12)
Ni(2) P(6) C(98) C(99) -23.65(15)
Ni(2) P(6) C(98) C(103) 157.36(12)
Ni(2) P(6) C(104) C(105) -39.61(14)
Ni(2) P(6) C(104) C(109) 140.88(13)
C(92) P(6) C(98) C(99) -151.50(13)
C(92) P(6) C(98) C(103) 29.52(16)
C(98) P(6) C(92) C(93) 81.28(13)
C(98) P(6) C(92) C(97) -104.67(14)
C(92) P(6) C(104) C(105) 85.33(13)
C(92) P(6) C(104) C(109) -94.18(15)
C(104) P(6) C(92) C(93) -173.41(12)
C(104) P(6) C(92) C(97) 0.63(15)
C(98) P(6) C(104) C(105) -171.00(12)
C(98) P(6) C(104) C(109) 9.49(16)
C(104) P(6) C(98) C(99) 104.61(14)
C(104) P(6) C(98) C(103) -74.37(15)
Ni(1) Si(1) C(8) C(7) -25.71(13)
Ni(1) Si(1) C(8) C(9) 158.99(13)
Ni(1) Si(1) C(26) C(25) -21.57(13)
Ni(1) Si(1) C(26) C(27) 161.46(13)
C(8) Si(1) C(26) C(25) 84.38(13)
C(8) Si(1) C(26) C(27) -92.59(15)
C(26) Si(1) C(8) C(7) -134.67(13)
C(26) Si(1) C(8) C(9) 50.03(16)
C(55) Si(1) C(8) C(7) 111.35(13)
C(55) Si(1) C(8) C(9) -63.95(15)
C(55) Si(1) C(26) C(25) -166.78(12)
C(55) Si(1) C(26) C(27) 16.25(16)
Ni(2) Si(2) C(63) C(62) 22.53(13)
Ni(2) Si(2) C(63) C(64) -160.23(13)
Ni(2) Si(2) C(81) C(80) 24.75(13)
Ni(2) Si(2) C(81) C(82) -157.49(13)
C(63) Si(2) C(81) C(80) 133.86(13)
C(63) Si(2) C(81) C(82) -48.39(15)
C(81) Si(2) C(63) C(62) -83.08(13)
C(81) Si(2) C(63) C(64) 94.15(15)
C(110) Si(2) C(63) C(62) 166.72(12)
C(110) Si(2) C(63) C(64) -16.05(17)
C(110) Si(2) C(81) C(80) -111.51(13)
C(110) Si(2) C(81) C(82) 66.25(15)
P(1) C(1) C(2) C(3) -178.07(18)
P(1) C(1) C(6) C(5) 178.71(14)
C(2) C(1) C(6) C(5) -0.7(2)
C(6) C(1) C(2) C(3) 1.4(3)
C(1) C(2) C(3) C(4) -1.0(3)
C(2) C(3) C(4) C(5) -0.2(3)
C(3) C(4) C(5) C(6) 0.9(3)
C(4) C(5) C(6) C(1) -0.4(2)
P(1) C(7) C(8) Si(1) 8.62(17)
P(1) C(7) C(8) C(9) -175.90(13)
P(1) C(7) C(12) C(11) 174.91(14)
C(8) C(7) C(12) C(11) -6.0(2)
C(12) C(7) C(8) Si(1) -170.55(13)
C(12) C(7) C(8) C(9) 4.9(2)
Si(1) C(8) C(9) C(10) 175.56(14)
C(7) C(8) C(9) C(10) 0.2(2)
C(8) C(9) C(10) C(11) -4.3(2)
C(9) C(10) C(11) C(12) 3.2(3)
C(10) C(11) C(12) C(7) 1.9(2)
P(1) C(13) C(14) C(15) -178.63(16)
P(1) C(13) C(18) C(17) 178.66(19)
C(14) C(13) C(18) C(17) 2.7(3)
C(18) C(13) C(14) C(15) -2.9(2)
C(13) C(14) C(15) C(16) 1.4(3)
C(14) C(15) C(16) C(17) 0.6(4)
C(15) C(16) C(17) C(18) -0.9(4)
C(16) C(17) C(18) C(13) -0.8(3)
P(2) C(19) C(20) C(21) 174.07(16)
P(2) C(19) C(24) C(23) -175.95(16)
C(20) C(19) C(24) C(23) -1.5(2)
C(24) C(19) C(20) C(21) -0.3(2)
C(19) C(20) C(21) C(22) 1.3(3)
C(20) C(21) C(22) C(23) -0.6(3)
C(21) C(22) C(23) C(24) -1.2(3)
C(22) C(23) C(24) C(19) 2.2(3)
P(2) C(25) C(26) Si(1) 3.77(16)
P(2) C(25) C(26) C(27) -179.05(12)
P(2) C(25) C(30) C(29) 179.20(14)
C(26) C(25) C(30) C(29) -0.8(2)
C(30) C(25) C(26) Si(1) -176.22(13)
C(30) C(25) C(26) C(27) 1.0(2)
Si(1) C(26) C(27) C(28) 176.99(13)
C(25) C(26) C(27) C(28) 0.1(2)
C(26) C(27) C(28) C(29) -1.3(2)
C(27) C(28) C(29) C(30) 1.4(3)
C(28) C(29) C(30) C(25) -0.4(3)
P(2) C(31) C(32) C(33) 177.66(15)
P(2) C(31) C(36) C(35) -178.59(15)
C(32) C(31) C(36) C(35) -0.4(2)
C(36) C(31) C(32) C(33) -0.6(2)
C(31) C(32) C(33) C(34) 0.9(3)
C(32) C(33) C(34) C(35) -0.2(3)
C(33) C(34) C(35) C(36) -0.8(3)
C(34) C(35) C(36) C(31) 1.2(3)
P(3) C(37) C(38) C(39) 175.24(14)
P(3) C(37) C(42) C(41) -175.16(15)
C(38) C(37) C(42) C(41) 1.9(2)
C(42) C(37) C(38) C(39) -1.9(2)
C(37) C(38) C(39) C(40) 1.0(2)
C(38) C(39) C(40) C(41) 0.0(2)
C(39) C(40) C(41) C(42) -0.0(2)
C(40) C(41) C(42) C(37) -1.0(3)
P(3) C(43) C(44) C(45) -174.56(13)
P(3) C(43) C(48) C(47) 172.68(15)
C(44) C(43) C(48) C(47) -2.0(2)
C(48) C(43) C(44) C(45) 0.4(2)
C(43) C(44) C(45) C(46) 1.0(2)
C(44) C(45) C(46) C(47) -0.8(2)
C(45) C(46) C(47) C(48) -0.8(3)
C(46) C(47) C(48) C(43) 2.2(3)
P(3) C(49) C(50) C(51) 177.30(14)
P(3) C(49) C(54) C(53) -178.43(14)
C(50) C(49) C(54) C(53) 0.4(2)
C(54) C(49) C(50) C(51) -1.7(2)
C(49) C(50) C(51) C(52) 1.1(2)
C(50) C(51) C(52) C(53) 0.7(3)
C(51) C(52) C(53) C(54) -2.0(3)
C(52) C(53) C(54) C(49) 1.4(2)
P(4) C(56) C(57) C(58) -176.08(16)
P(4) C(56) C(61) C(60) 176.94(14)
C(57) C(56) C(61) C(60) 0.6(2)
C(61) C(56) C(57) C(58) 0.5(2)
C(56) C(57) C(58) C(59) -1.3(3)
C(57) C(58) C(59) C(60) 1.0(3)
C(58) C(59) C(60) C(61) 0.1(3)
C(59) C(60) C(61) C(56) -0.9(2)
P(4) C(62) C(63) Si(2) -3.77(16)
P(4) C(62) C(63) C(64) 178.77(12)
P(4) C(62) C(67) C(66) -178.93(14)
C(63) C(62) C(67) C(66) 1.2(2)
C(67) C(62) C(63) Si(2) 176.10(13)
C(67) C(62) C(63) C(64) -1.4(2)
Si(2) C(63) C(64) C(65) -176.95(13)
C(62) C(63) C(64) C(65) 0.2(2)
C(63) C(64) C(65) C(66) 1.1(2)
C(64) C(65) C(66) C(67) -1.2(2)
C(65) C(66) C(67) C(62) 0.1(2)
P(4) C(68) C(69) C(70) 175.45(14)
P(4) C(68) C(73) C(72) -173.73(15)
C(69) C(68) C(73) C(72) 0.8(2)
C(73) C(68) C(69) C(70) 0.8(2)
C(68) C(69) C(70) C(71) -2.2(2)
C(69) C(70) C(71) C(72) 1.9(3)
C(70) C(71) C(72) C(73) -0.3(3)
C(71) C(72) C(73) C(68) -1.1(3)
P(5) C(74) C(75) C(76) -174.67(16)
P(5) C(74) C(79) C(78) 174.53(15)
C(75) C(74) C(79) C(78) 0.6(2)
C(79) C(74) C(75) C(76) -0.3(2)
C(74) C(75) C(76) C(77) -0.4(3)
C(75) C(76) C(77) C(78) 0.9(3)
C(76) C(77) C(78) C(79) -0.7(3)
C(77) C(78) C(79) C(74) -0.1(2)
P(5) C(80) C(81) Si(2) -3.19(17)
P(5) C(80) C(81) C(82) 178.94(12)
P(5) C(80) C(85) C(84) -178.38(14)
C(81) C(80) C(85) C(84) 4.9(2)
C(85) C(80) C(81) Si(2) 173.84(13)
C(85) C(80) C(81) C(82) -4.0(2)
Si(2) C(81) C(82) C(83) -178.13(14)
C(80) C(81) C(82) C(83) -0.4(2)
C(81) C(82) C(83) C(84) 3.9(2)
C(82) C(83) C(84) C(85) -3.0(2)
C(83) C(84) C(85) C(80) -1.4(2)
P(5) C(86) C(87) C(88) 173.08(19)
P(5) C(86) C(91) C(90) -173.97(19)
C(87) C(86) C(91) C(90) 0.6(3)
C(91) C(86) C(87) C(88) -1.9(3)
C(86) C(87) C(88) C(89) 1.5(3)
C(87) C(88) C(89) C(90) 0.4(4)
C(88) C(89) C(90) C(91) -1.7(4)
C(89) C(90) C(91) C(86) 1.2(4)
P(6) C(92) C(93) C(94) 173.11(13)
P(6) C(92) C(97) C(96) -172.22(13)
C(93) C(92) C(97) C(96) 1.8(2)
C(97) C(92) C(93) C(94) -1.3(2)
C(92) C(93) C(94) C(95) -0.4(2)
C(93) C(94) C(95) C(96) 1.5(2)
C(94) C(95) C(96) C(97) -1.0(2)
C(95) C(96) C(97) C(92) -0.7(2)
P(6) C(98) C(99) C(100) -177.53(14)
P(6) C(98) C(103) C(102) 177.39(14)
C(99) C(98) C(103) C(102) -1.6(2)
C(103) C(98) C(99) C(100) 1.5(2)
C(98) C(99) C(100) C(101) -0.6(2)
C(99) C(100) C(101) C(102) -0.3(2)
C(100) C(101) C(102) C(103) 0.2(3)
C(101) C(102) C(103) C(98) 0.8(2)
P(6) C(104) C(105) C(106) -179.24(14)
P(6) C(104) C(109) C(108) 179.71(14)
C(105) C(104) C(109) C(108) 0.2(2)
C(109) C(104) C(105) C(106) 0.3(2)
C(104) C(105) C(106) C(107) -0.2(2)
C(105) C(106) C(107) C(108) -0.4(3)
C(106) C(107) C(108) C(109) 0.9(3)
C(107) C(108) C(109) C(104) -0.8(2)
