# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Ni(NHC)2(SI4Ph8)
_database_code_depnum_ccdc_archive 'CCDC 2120736'
loop_
_audit_author_name
_audit_author_address
'Yusuke Sunada'
;The University of Tokyo
Japan
;
_audit_update_record             
;
2021-11-08 deposited with the CCDC.	2022-03-14 downloaded from the CCDC.
;

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C66 H72 N4 Ni Si4'
_chemical_formula_moiety         'C66 H72 N4 Ni Si4'
_chemical_formula_weight         1092.36
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_space_group_crystal_system      triclinic
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
_space_group_IT_number           2
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -X,-Y,-Z
#------------------------------------------------------------------------------
_cell_length_a                   11.7807(4)
_cell_length_b                   11.8079(3)
_cell_length_c                   22.9033(7)
_cell_angle_alpha                80.502(2)
_cell_angle_beta                 78.053(3)
_cell_angle_gamma                71.215(3)
_cell_volume                     2934.25(16)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    15654
_cell_measurement_theta_min      1.86
_cell_measurement_theta_max      31.21
_cell_measurement_temperature    113
#------------------------------------------------------------------------------
_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_exptl_crystal_density_diffrn    1.236
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1160.00
_exptl_absorpt_coefficient_mu    0.456
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.93a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_correction_T_min  0.860
_exptl_absorpt_correction_T_max  0.955

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      113
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku Saturn724'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 28.626
_diffrn_reflns_number            28326
_diffrn_reflns_av_unetI/netI     ?
_diffrn_reflns_av_R_equivalents  0.0276
_diffrn_reflns_theta_max         31.246
_diffrn_reflns_theta_min         1.832
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.834
_diffrn_measured_fraction_theta_full 0.984
_diffrn_reflns_Laue_measured_fraction_max 0.834
_diffrn_reflns_Laue_measured_fraction_full 0.984
_diffrn_reflns_point_group_measured_fraction_max 0.834
_diffrn_reflns_point_group_measured_fraction_full 0.984
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       32
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?
_reflns_number_total             15917
_reflns_number_gt                11734
_reflns_threshold_expression     F²>2.0σ(F²)
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_all          0.0824
_refine_ls_R_factor_gt           0.0567
_refine_ls_wR_factor_ref         0.1504
_refine_ls_wR_factor_gt          0.1366
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         15917
_refine_ls_number_parameters     676
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.0679P)²+1.6180P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.002
_refine_diff_density_max         0.99
_refine_diff_density_min         -0.55
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Ni Ni 0.3393 1.1124
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Si Si 0.0817 0.0704
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ni1 Ni 0.49061(3) 0.70819(3) 0.73379(2) 0.02155(8) Uani 1 1 d . . . . .
Si1 Si 0.35815(6) 0.87777(6) 0.69355(3) 0.02428(14) Uani 1 1 d . . . . .
Si2 Si 0.15578(6) 0.94471(6) 0.74766(3) 0.02496(14) Uani 1 1 d . . . . .
Si3 Si 0.14851(6) 0.75667(6) 0.79876(3) 0.02568(14) Uani 1 1 d . . . . .
Si4 Si 0.35047(6) 0.69854(6) 0.81887(3) 0.02464(14) Uani 1 1 d . . . . .
N1 N 0.7031(2) 0.7298(2) 0.64129(10) 0.0394(5) Uani 1 1 d . . . . .
N2 N 0.6012(2) 0.6388(2) 0.61043(9) 0.0335(5) Uani 1 1 d . . . . .
N3 N 0.67404(18) 0.60195(18) 0.81394(9) 0.0278(4) Uani 1 1 d . . . . .
N4 N 0.65512(18) 0.46913(18) 0.76807(9) 0.0292(4) Uani 1 1 d . . . . .
C1 C 0.4157(2) 1.0153(2) 0.68331(11) 0.0288(5) Uani 1 1 d . . . . .
C2 C 0.4897(3) 1.0291(3) 0.71924(13) 0.0411(6) Uani 1 1 d . . . . .
H2 H 0.520010 0.965516 0.747206 0.049 Uiso 1 1 calc R U . . .
C3 C 0.5205(4) 1.1340(3) 0.71529(16) 0.0621(10) Uani 1 1 d . . . . .
H3 H 0.570535 1.140419 0.740343 0.075 Uiso 1 1 calc R U . . .
C4 C 0.4771(4) 1.2279(3) 0.67440(16) 0.0679(11) Uani 1 1 d . . . . .
H4 H 0.496347 1.299217 0.671909 0.082 Uiso 1 1 calc R U . . .
C5 C 0.4057(3) 1.2172(3) 0.63726(14) 0.0521(8) Uani 1 1 d . . . . .
H5 H 0.377192 1.280728 0.608910 0.062 Uiso 1 1 calc R U . . .
C6 C 0.3756(3) 1.1129(2) 0.64151(11) 0.0350(6) Uani 1 1 d . . . . .
H6 H 0.326839 1.107143 0.615637 0.042 Uiso 1 1 calc R U . . .
C7 C 0.3400(2) 0.8704(2) 0.61365(11) 0.0293(5) Uani 1 1 d . . . . .
C8 C 0.4320(3) 0.8840(2) 0.56653(11) 0.0343(6) Uani 1 1 d . . . . .
H8 H 0.497544 0.902709 0.574751 0.041 Uiso 1 1 calc R U . . .
C9 C 0.4297(3) 0.8709(3) 0.50814(13) 0.0468(7) Uani 1 1 d . . . . .
H9 H 0.492676 0.880918 0.477759 0.056 Uiso 1 1 calc R U . . .
C10 C 0.3340(4) 0.8429(3) 0.49507(15) 0.0607(10) Uani 1 1 d . . . . .
H10 H 0.332416 0.832239 0.455945 0.073 Uiso 1 1 calc R U . . .
C11 C 0.2401(3) 0.8308(3) 0.54050(16) 0.0576(9) Uani 1 1 d . . . . .
H11 H 0.174278 0.813111 0.531893 0.069 Uiso 1 1 calc R U . . .
C12 C 0.2436(3) 0.8448(3) 0.59856(14) 0.0415(6) Uani 1 1 d . . . . .
H12 H 0.179189 0.836825 0.628564 0.050 Uiso 1 1 calc R U . . .
C13 C 0.1378(2) 1.0551(2) 0.80282(11) 0.0291(5) Uani 1 1 d . . . . .
C14 C 0.1728(2) 1.1582(2) 0.78428(13) 0.0366(6) Uani 1 1 d . . . . .
H14 H 0.208510 1.171399 0.744588 0.044 Uiso 1 1 calc R U . . .
C15 C 0.1562(3) 1.2420(3) 0.82305(14) 0.0439(7) Uani 1 1 d . . . . .
H15 H 0.180072 1.310771 0.809233 0.053 Uiso 1 1 calc R U . . .
C16 C 0.1044(3) 1.2243(3) 0.88218(14) 0.0449(7) Uani 1 1 d . . . . .
H16 H 0.093927 1.280496 0.908410 0.054 Uiso 1 1 calc R U . . .
C17 C 0.0684(3) 1.1233(3) 0.90206(13) 0.0454(7) Uani 1 1 d . . . . .
H17 H 0.033020 1.110861 0.941881 0.054 Uiso 1 1 calc R U . . .
C18 C 0.0849(2) 1.0389(2) 0.86245(12) 0.0370(6) Uani 1 1 d . . . . .
H18 H 0.060068 0.970608 0.876302 0.044 Uiso 1 1 calc R U . . .
C19 C 0.0373(2) 1.0283(2) 0.69841(11) 0.0312(5) Uani 1 1 d . . . . .
C20 C 0.0446(3) 1.1365(3) 0.66581(14) 0.0479(7) Uani 1 1 d . . . . .
H20 H 0.109387 1.164053 0.667310 0.057 Uiso 1 1 calc R U . . .
C21 C -0.0417(3) 1.2042(3) 0.63124(16) 0.0577(9) Uani 1 1 d . . . . .
H21 H -0.034460 1.276321 0.609841 0.069 Uiso 1 1 calc R U . . .
C22 C -0.1367(3) 1.1662(3) 0.62831(16) 0.0599(9) Uani 1 1 d . . . . .
H22 H -0.194597 1.211618 0.604775 0.072 Uiso 1 1 calc R U . . .
C23 C -0.1470(4) 1.0616(4) 0.6598(2) 0.0737(12) Uani 1 1 d . . . . .
H23 H -0.212932 1.035804 0.658295 0.088 Uiso 1 1 calc R U . . .
C24 C -0.0603(3) 0.9925(3) 0.69444(16) 0.0536(8) Uani 1 1 d . . . . .
H24 H -0.068515 0.920337 0.715383 0.064 Uiso 1 1 calc R U . . .
C25 C 0.0209(2) 0.7584(2) 0.86449(11) 0.0303(5) Uani 1 1 d . . . . .
C26 C 0.0346(3) 0.6719(3) 0.91360(12) 0.0388(6) Uani 1 1 d . . . . .
H26 H 0.108881 0.612759 0.914931 0.047 Uiso 1 1 calc R U . . .
C27 C -0.0603(3) 0.6725(3) 0.96056(13) 0.0471(7) Uani 1 1 d . . . . .
H27 H -0.049166 0.614446 0.993388 0.057 Uiso 1 1 calc R U . . .
C28 C -0.1708(3) 0.7579(3) 0.95904(14) 0.0502(8) Uani 1 1 d . . . . .
H28 H -0.234537 0.757859 0.990729 0.060 Uiso 1 1 calc R U . . .
C29 C -0.1871(3) 0.8427(3) 0.91103(14) 0.0461(7) Uani 1 1 d . . . . .
H29 H -0.262376 0.900147 0.909713 0.055 Uiso 1 1 calc R U . . .
C30 C -0.0923(2) 0.8440(3) 0.86424(12) 0.0374(6) Uani 1 1 d . . . . .
H30 H -0.104322 0.903207 0.831948 0.045 Uiso 1 1 calc R U . . .
C31 C 0.1311(2) 0.6555(2) 0.74730(11) 0.0295(5) Uani 1 1 d . . . . .
C32 C 0.0257(3) 0.6253(3) 0.75183(15) 0.0551(9) Uani 1 1 d . . . . .
H32 H -0.041381 0.659196 0.779746 0.066 Uiso 1 1 calc R U . . .
C33 C 0.0172(3) 0.5458(4) 0.71584(17) 0.0685(11) Uani 1 1 d . . . . .
H33 H -0.054917 0.526489 0.720266 0.082 Uiso 1 1 calc R U . . .
C34 C 0.1117(3) 0.4966(3) 0.67475(16) 0.0588(9) Uani 1 1 d . . . . .
H34 H 0.105776 0.443161 0.650726 0.071 Uiso 1 1 calc R U . . .
C35 C 0.2172(4) 0.5260(4) 0.6686(2) 0.0782(13) Uani 1 1 d . . . . .
H35 H 0.282945 0.494287 0.639506 0.094 Uiso 1 1 calc R U . . .
C36 C 0.2256(3) 0.6028(3) 0.70568(17) 0.0602(10) Uani 1 1 d . . . . .
H36 H 0.299009 0.619247 0.702055 0.072 Uiso 1 1 calc R U . . .
C37 C 0.3357(2) 0.7990(2) 0.87853(11) 0.0321(5) Uani 1 1 d . . . . .
C38 C 0.3747(3) 0.9000(2) 0.86604(14) 0.0411(6) Uani 1 1 d . . . . .
H38 H 0.406917 0.921112 0.826653 0.049 Uiso 1 1 calc R U . . .
C39 C 0.3680(3) 0.9711(3) 0.90958(19) 0.0624(10) Uani 1 1 d . . . . .
H39 H 0.396838 1.037633 0.899708 0.075 Uiso 1 1 calc R U . . .
C40 C 0.3179(4) 0.9423(4) 0.96784(19) 0.0792(14) Uani 1 1 d . . . . .
H40 H 0.314499 0.988221 0.997815 0.095 Uiso 1 1 calc R U . . .
C41 C 0.2733(4) 0.8460(3) 0.98145(15) 0.0713(12) Uani 1 1 d . . . . .
H41 H 0.236805 0.828445 1.020505 0.086 Uiso 1 1 calc R U . . .
C42 C 0.2819(3) 0.7743(3) 0.93773(12) 0.0471(8) Uani 1 1 d . . . . .
H42 H 0.251626 0.708737 0.947806 0.057 Uiso 1 1 calc R U . . .
C43 C 0.3827(2) 0.5418(2) 0.86226(11) 0.0302(5) Uani 1 1 d . . . . .
C44 C 0.4546(2) 0.5100(2) 0.90687(12) 0.0360(6) Uani 1 1 d . . . . .
H44 H 0.484353 0.567199 0.916654 0.043 Uiso 1 1 calc R U . . .
C45 C 0.4832(3) 0.3959(3) 0.93708(13) 0.0441(7) Uani 1 1 d . . . . .
H45 H 0.530480 0.377832 0.967176 0.053 Uiso 1 1 calc R U . . .
C46 C 0.4425(3) 0.3091(3) 0.92303(16) 0.0543(9) Uani 1 1 d . . . . .
H46 H 0.461928 0.232191 0.943331 0.065 Uiso 1 1 calc R U . . .
C47 C 0.3730(3) 0.3369(3) 0.87892(18) 0.0589(9) Uani 1 1 d . . . . .
H47 H 0.345620 0.278317 0.868733 0.071 Uiso 1 1 calc R U . . .
C48 C 0.3430(3) 0.4518(3) 0.84922(15) 0.0469(7) Uani 1 1 d . . . . .
H48 H 0.294686 0.469203 0.819598 0.056 Uiso 1 1 calc R U . . .
C49 C 0.6013(2) 0.6950(2) 0.65767(11) 0.0300(5) Uani 1 1 d . . . . .
C50 C 0.7654(3) 0.6964(3) 0.58497(14) 0.0484(8) Uani 1 1 d . . . . .
C51 C 0.7012(3) 0.6413(3) 0.56531(12) 0.0443(7) Uani 1 1 d . . . . .
C52 C 0.7436(3) 0.7915(3) 0.67841(16) 0.0581(9) Uani 1 1 d . . . . .
H52A H 0.817602 0.807293 0.657878 0.070 Uiso 1 1 calc R U . . .
H52B H 0.682357 0.866221 0.686552 0.070 Uiso 1 1 calc R U . . .
H52C H 0.757770 0.742264 0.715510 0.070 Uiso 1 1 calc R U . . .
C53 C 0.8789(3) 0.7280(4) 0.55512(17) 0.0698(11) Uani 1 1 d . . . . .
H53A H 0.921688 0.674608 0.524410 0.084 Uiso 1 1 calc R U . . .
H53B H 0.931482 0.714467 0.584659 0.084 Uiso 1 1 calc R U . . .
C54 C 0.8553(4) 0.8558(4) 0.5269(2) 0.0928(15) Uani 1 1 d . . . . .
H54A H 0.931142 0.870295 0.508673 0.111 Uiso 1 1 calc R U . . .
H54B H 0.804980 0.869530 0.496884 0.111 Uiso 1 1 calc R U . . .
H54C H 0.814782 0.909417 0.557175 0.111 Uiso 1 1 calc R U . . .
C55 C 0.7225(3) 0.5879(3) 0.50781(14) 0.0597(10) Uani 1 1 d . . . . .
H55A H 0.774042 0.625510 0.477649 0.072 Uiso 1 1 calc R U . . .
H55B H 0.645346 0.605893 0.494158 0.072 Uiso 1 1 calc R U . . .
C56 C 0.7815(5) 0.4530(4) 0.51326(19) 0.0990(18) Uani 1 1 d . . . . .
H56A H 0.792872 0.423965 0.475058 0.119 Uiso 1 1 calc R U . . .
H56B H 0.858903 0.434522 0.525829 0.119 Uiso 1 1 calc R U . . .
H56C H 0.730144 0.414895 0.542346 0.119 Uiso 1 1 calc R U . . .
C57 C 0.5068(3) 0.5911(3) 0.60515(12) 0.0412(6) Uani 1 1 d . . . . .
H57A H 0.526888 0.555760 0.568055 0.049 Uiso 1 1 calc R U . . .
H57B H 0.498907 0.530773 0.638111 0.049 Uiso 1 1 calc R U . . .
H57C H 0.431417 0.654615 0.605742 0.049 Uiso 1 1 calc R U . . .
C58 C 0.6085(2) 0.5874(2) 0.77515(10) 0.0259(5) Uani 1 1 d . . . . .
C59 C 0.7597(2) 0.4950(2) 0.82999(12) 0.0337(6) Uani 1 1 d . . . . .
C60 C 0.7486(2) 0.4113(2) 0.80100(12) 0.0339(6) Uani 1 1 d . . . . .
C61 C 0.6564(3) 0.7147(2) 0.83642(13) 0.0383(6) Uani 1 1 d . . . . .
H61A H 0.712892 0.703385 0.863175 0.046 Uiso 1 1 calc R U . . .
H61B H 0.669574 0.773247 0.803449 0.046 Uiso 1 1 calc R U . . .
H61C H 0.574841 0.742296 0.857607 0.046 Uiso 1 1 calc R U . . .
C62 C 0.8407(3) 0.4857(3) 0.87396(14) 0.0443(7) Uani 1 1 d . . . . .
H62A H 0.860323 0.560670 0.869848 0.053 Uiso 1 1 calc R U . . .
H62B H 0.916091 0.422380 0.864428 0.053 Uiso 1 1 calc R U . . .
C63 C 0.7847(4) 0.4594(4) 0.93816(15) 0.0668(11) Uani 1 1 d . . . . .
H63A H 0.840572 0.454392 0.964266 0.080 Uiso 1 1 calc R U . . .
H63B H 0.710952 0.522631 0.948246 0.080 Uiso 1 1 calc R U . . .
H63C H 0.766742 0.384287 0.942824 0.080 Uiso 1 1 calc R U . . .
C64 C 0.8177(3) 0.2814(2) 0.79989(14) 0.0457(7) Uani 1 1 d . . . . .
H64A H 0.894037 0.267194 0.813726 0.055 Uiso 1 1 calc R U . . .
H64B H 0.836641 0.262316 0.758704 0.055 Uiso 1 1 calc R U . . .
C65 C 0.7519(3) 0.1972(3) 0.83771(16) 0.0586(9) Uani 1 1 d . . . . .
H65A H 0.802048 0.115530 0.834660 0.070 Uiso 1 1 calc R U . . .
H65B H 0.734634 0.213632 0.878830 0.070 Uiso 1 1 calc R U . . .
H65C H 0.677154 0.208746 0.823727 0.070 Uiso 1 1 calc R U . . .
C66 C 0.6100(3) 0.4104(2) 0.73156(13) 0.0425(7) Uani 1 1 d . . . . .
H66A H 0.655803 0.326737 0.732760 0.051 Uiso 1 1 calc R U . . .
H66B H 0.525845 0.418124 0.746697 0.051 Uiso 1 1 calc R U . . .
H66C H 0.618342 0.447193 0.690907 0.051 Uiso 1 1 calc R U . . .


#==============================================================================
_computing_data_collection       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_structure_solution    'SHELXT Version 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL Version 2017/1 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.3 (Rigaku, 2019)'
_computing_molecular_graphics    'CrystalStructure 4.3'

#==============================================================================
# MOLECULAR GEOMETRY

_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ni1 C58 1.919(2) . ?
Ni1 C49 1.944(2) . ?
Ni1 Si4 2.2917(7) . ?
Ni1 Si1 2.2951(7) . ?
Si1 C7 1.905(2) . ?
Si1 C1 1.915(2) . ?
Si1 Si2 2.3939(9) . ?
Si2 C19 1.895(3) . ?
Si2 C13 1.896(2) . ?
Si2 Si3 2.3517(9) . ?
Si3 C31 1.892(3) . ?
Si3 C25 1.893(2) . ?
Si3 Si4 2.3752(9) . ?
Si4 C37 1.900(3) . ?
Si4 C43 1.911(3) . ?
N1 C49 1.352(3) . ?
N1 C50 1.396(4) . ?
N1 C52 1.441(4) . ?
N2 C49 1.360(3) . ?
N2 C51 1.401(4) . ?
N2 C57 1.433(4) . ?
N3 C58 1.354(3) . ?
N3 C59 1.388(3) . ?
N3 C61 1.443(3) . ?
N4 C58 1.350(3) . ?
N4 C60 1.392(3) . ?
N4 C66 1.441(3) . ?
C1 C2 1.377(4) . ?
C1 C6 1.393(3) . ?
C2 C3 1.384(4) . ?
C2 H2 0.9300 . ?
C3 C4 1.363(5) . ?
C3 H3 0.9300 . ?
C4 C5 1.360(5) . ?
C4 H4 0.9300 . ?
C5 C6 1.370(4) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C12 1.386(4) . ?
C7 C8 1.391(4) . ?
C8 C9 1.378(4) . ?
C8 H8 0.9300 . ?
C9 C10 1.372(5) . ?
C9 H9 0.9300 . ?
C10 C11 1.379(5) . ?
C10 H10 0.9300 . ?
C11 C12 1.377(4) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C14 1.384(4) . ?
C13 C18 1.389(4) . ?
C14 C15 1.377(4) . ?
C14 H14 0.9300 . ?
C15 C16 1.377(4) . ?
C15 H15 0.9300 . ?
C16 C17 1.370(5) . ?
C16 H16 0.9300 . ?
C17 C18 1.398(4) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 C24 1.371(4) . ?
C19 C20 1.387(4) . ?
C20 C21 1.378(4) . ?
C20 H20 0.9300 . ?
C21 C22 1.350(5) . ?
C21 H21 0.9300 . ?
C22 C23 1.351(5) . ?
C22 H22 0.9300 . ?
C23 C24 1.387(4) . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
C25 C26 1.387(4) . ?
C25 C30 1.390(4) . ?
C26 C27 1.381(4) . ?
C26 H26 0.9300 . ?
C27 C28 1.369(5) . ?
C27 H27 0.9300 . ?
C28 C29 1.360(5) . ?
C28 H28 0.9300 . ?
C29 C30 1.381(4) . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?
C31 C36 1.358(4) . ?
C31 C32 1.378(4) . ?
C32 C33 1.386(4) . ?
C32 H32 0.9300 . ?
C33 C34 1.339(5) . ?
C33 H33 0.9300 . ?
C34 C35 1.369(5) . ?
C34 H34 0.9300 . ?
C35 C36 1.379(5) . ?
C35 H35 0.9300 . ?
C36 H36 0.9300 . ?
C37 C38 1.379(4) . ?
C37 C42 1.399(4) . ?
C38 C39 1.381(4) . ?
C38 H38 0.9300 . ?
C39 C40 1.378(6) . ?
C39 H39 0.9300 . ?
C40 C41 1.366(6) . ?
C40 H40 0.9300 . ?
C41 C42 1.383(4) . ?
C41 H41 0.9300 . ?
C42 H42 0.9300 . ?
C43 C48 1.385(4) . ?
C43 C44 1.389(4) . ?
C44 C45 1.380(4) . ?
C44 H44 0.9300 . ?
C45 C46 1.368(5) . ?
C45 H45 0.9300 . ?
C46 C47 1.363(5) . ?
C46 H46 0.9300 . ?
C47 C48 1.384(4) . ?
C47 H47 0.9300 . ?
C48 H48 0.9300 . ?
C50 C51 1.325(5) . ?
C50 C53 1.501(5) . ?
C51 C55 1.493(4) . ?
C52 H52A 0.9600 . ?
C52 H52B 0.9600 . ?
C52 H52C 0.9600 . ?
C53 C54 1.502(6) . ?
C53 H53A 0.9700 . ?
C53 H53B 0.9700 . ?
C54 H54A 0.9600 . ?
C54 H54B 0.9600 . ?
C54 H54C 0.9600 . ?
C55 C56 1.515(5) . ?
C55 H55A 0.9700 . ?
C55 H55B 0.9700 . ?
C56 H56A 0.9600 . ?
C56 H56B 0.9600 . ?
C56 H56C 0.9600 . ?
C57 H57A 0.9600 . ?
C57 H57B 0.9600 . ?
C57 H57C 0.9600 . ?
C59 C60 1.330(4) . ?
C59 C62 1.494(4) . ?
C60 C64 1.489(4) . ?
C61 H61A 0.9600 . ?
C61 H61B 0.9600 . ?
C61 H61C 0.9600 . ?
C62 C63 1.508(5) . ?
C62 H62A 0.9700 . ?
C62 H62B 0.9700 . ?
C63 H63A 0.9600 . ?
C63 H63B 0.9600 . ?
C63 H63C 0.9600 . ?
C64 C65 1.508(5) . ?
C64 H64A 0.9700 . ?
C64 H64B 0.9700 . ?
C65 H65A 0.9600 . ?
C65 H65B 0.9600 . ?
C65 H65C 0.9600 . ?
C66 H66A 0.9600 . ?
C66 H66B 0.9600 . ?
C66 H66C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C58 Ni1 C49 92.26(10) . . ?
C58 Ni1 Si4 87.62(7) . . ?
C49 Ni1 Si4 170.31(8) . . ?
C58 Ni1 Si1 169.05(7) . . ?
C49 Ni1 Si1 90.75(7) . . ?
Si4 Ni1 Si1 91.18(2) . . ?
C7 Si1 C1 101.39(11) . . ?
C7 Si1 Ni1 114.20(8) . . ?
C1 Si1 Ni1 112.10(8) . . ?
C7 Si1 Si2 105.55(8) . . ?
C1 Si1 Si2 103.95(8) . . ?
Ni1 Si1 Si2 117.89(3) . . ?
C19 Si2 C13 103.64(11) . . ?
C19 Si2 Si3 118.65(9) . . ?
C13 Si2 Si3 110.56(8) . . ?
C19 Si2 Si1 114.07(8) . . ?
C13 Si2 Si1 113.38(8) . . ?
Si3 Si2 Si1 96.95(3) . . ?
C31 Si3 C25 104.73(11) . . ?
C31 Si3 Si2 111.67(8) . . ?
C25 Si3 Si2 116.44(8) . . ?
C31 Si3 Si4 111.37(8) . . ?
C25 Si3 Si4 118.16(9) . . ?
Si2 Si3 Si4 94.56(3) . . ?
C37 Si4 C43 102.83(11) . . ?
C37 Si4 Ni1 117.49(9) . . ?
C43 Si4 Ni1 112.71(8) . . ?
C37 Si4 Si3 102.02(8) . . ?
C43 Si4 Si3 107.98(8) . . ?
Ni1 Si4 Si3 112.71(3) . . ?
C49 N1 C50 112.0(3) . . ?
C49 N1 C52 123.8(2) . . ?
C50 N1 C52 124.2(3) . . ?
C49 N2 C51 111.3(2) . . ?
C49 N2 C57 124.6(2) . . ?
C51 N2 C57 124.0(2) . . ?
C58 N3 C59 111.8(2) . . ?
C58 N3 C61 124.2(2) . . ?
C59 N3 C61 124.0(2) . . ?
C58 N4 C60 112.3(2) . . ?
C58 N4 C66 123.1(2) . . ?
C60 N4 C66 124.6(2) . . ?
C2 C1 C6 115.8(2) . . ?
C2 C1 Si1 123.1(2) . . ?
C6 C1 Si1 120.9(2) . . ?
C1 C2 C3 122.5(3) . . ?
C1 C2 H2 118.8 . . ?
C3 C2 H2 118.8 . . ?
C4 C3 C2 119.5(3) . . ?
C4 C3 H3 120.2 . . ?
C2 C3 H3 120.2 . . ?
C5 C4 C3 119.9(3) . . ?
C5 C4 H4 120.1 . . ?
C3 C4 H4 120.1 . . ?
C4 C5 C6 120.2(3) . . ?
C4 C5 H5 119.9 . . ?
C6 C5 H5 119.9 . . ?
C5 C6 C1 122.1(3) . . ?
C5 C6 H6 118.9 . . ?
C1 C6 H6 118.9 . . ?
C12 C7 C8 116.2(2) . . ?
C12 C7 Si1 124.5(2) . . ?
C8 C7 Si1 119.19(19) . . ?
C9 C8 C7 122.6(3) . . ?
C9 C8 H8 118.7 . . ?
C7 C8 H8 118.7 . . ?
C10 C9 C8 119.7(3) . . ?
C10 C9 H9 120.2 . . ?
C8 C9 H9 120.2 . . ?
C9 C10 C11 119.4(3) . . ?
C9 C10 H10 120.3 . . ?
C11 C10 H10 120.3 . . ?
C12 C11 C10 120.2(3) . . ?
C12 C11 H11 119.9 . . ?
C10 C11 H11 119.9 . . ?
C11 C12 C7 122.0(3) . . ?
C11 C12 H12 119.0 . . ?
C7 C12 H12 119.0 . . ?
C14 C13 C18 117.3(2) . . ?
C14 C13 Si2 120.8(2) . . ?
C18 C13 Si2 121.9(2) . . ?
C15 C14 C13 121.8(3) . . ?
C15 C14 H14 119.1 . . ?
C13 C14 H14 119.1 . . ?
C16 C15 C14 120.3(3) . . ?
C16 C15 H15 119.8 . . ?
C14 C15 H15 119.8 . . ?
C17 C16 C15 119.5(3) . . ?
C17 C16 H16 120.3 . . ?
C15 C16 H16 120.3 . . ?
C16 C17 C18 120.0(3) . . ?
C16 C17 H17 120.0 . . ?
C18 C17 H17 120.0 . . ?
C13 C18 C17 121.2(3) . . ?
C13 C18 H18 119.4 . . ?
C17 C18 H18 119.4 . . ?
C24 C19 C20 116.4(3) . . ?
C24 C19 Si2 124.5(2) . . ?
C20 C19 Si2 119.0(2) . . ?
C21 C20 C19 121.8(3) . . ?
C21 C20 H20 119.1 . . ?
C19 C20 H20 119.1 . . ?
C22 C21 C20 120.3(3) . . ?
C22 C21 H21 119.9 . . ?
C20 C21 H21 119.9 . . ?
C21 C22 C23 119.5(3) . . ?
C21 C22 H22 120.2 . . ?
C23 C22 H22 120.2 . . ?
C22 C23 C24 120.7(3) . . ?
C22 C23 H23 119.7 . . ?
C24 C23 H23 119.7 . . ?
C19 C24 C23 121.4(3) . . ?
C19 C24 H24 119.3 . . ?
C23 C24 H24 119.3 . . ?
C26 C25 C30 117.4(2) . . ?
C26 C25 Si3 121.6(2) . . ?
C30 C25 Si3 121.0(2) . . ?
C27 C26 C25 121.0(3) . . ?
C27 C26 H26 119.5 . . ?
C25 C26 H26 119.5 . . ?
C28 C27 C26 120.4(3) . . ?
C28 C27 H27 119.8 . . ?
C26 C27 H27 119.8 . . ?
C29 C28 C27 119.8(3) . . ?
C29 C28 H28 120.1 . . ?
C27 C28 H28 120.1 . . ?
C28 C29 C30 120.3(3) . . ?
C28 C29 H29 119.8 . . ?
C30 C29 H29 119.8 . . ?
C29 C30 C25 121.2(3) . . ?
C29 C30 H30 119.4 . . ?
C25 C30 H30 119.4 . . ?
C36 C31 C32 116.2(3) . . ?
C36 C31 Si3 121.1(2) . . ?
C32 C31 Si3 122.6(2) . . ?
C31 C32 C33 121.7(3) . . ?
C31 C32 H32 119.2 . . ?
C33 C32 H32 119.2 . . ?
C34 C33 C32 120.6(3) . . ?
C34 C33 H33 119.7 . . ?
C32 C33 H33 119.7 . . ?
C33 C34 C35 119.1(3) . . ?
C33 C34 H34 120.4 . . ?
C35 C34 H34 120.4 . . ?
C34 C35 C36 119.7(3) . . ?
C34 C35 H35 120.2 . . ?
C36 C35 H35 120.2 . . ?
C31 C36 C35 122.7(3) . . ?
C31 C36 H36 118.6 . . ?
C35 C36 H36 118.6 . . ?
C38 C37 C42 116.7(3) . . ?
C38 C37 Si4 122.5(2) . . ?
C42 C37 Si4 120.8(2) . . ?
C37 C38 C39 122.7(3) . . ?
C37 C38 H38 118.6 . . ?
C39 C38 H38 118.6 . . ?
C40 C39 C38 119.1(4) . . ?
C40 C39 H39 120.4 . . ?
C38 C39 H39 120.4 . . ?
C41 C40 C39 119.8(3) . . ?
C41 C40 H40 120.1 . . ?
C39 C40 H40 120.1 . . ?
C40 C41 C42 120.6(4) . . ?
C40 C41 H41 119.7 . . ?
C42 C41 H41 119.7 . . ?
C41 C42 C37 120.9(3) . . ?
C41 C42 H42 119.6 . . ?
C37 C42 H42 119.6 . . ?
C48 C43 C44 116.1(2) . . ?
C48 C43 Si4 122.9(2) . . ?
C44 C43 Si4 120.9(2) . . ?
C45 C44 C43 121.9(3) . . ?
C45 C44 H44 119.0 . . ?
C43 C44 H44 119.0 . . ?
C46 C45 C44 120.4(3) . . ?
C46 C45 H45 119.8 . . ?
C44 C45 H45 119.8 . . ?
C47 C46 C45 119.2(3) . . ?
C47 C46 H46 120.4 . . ?
C45 C46 H46 120.4 . . ?
C46 C47 C48 120.3(3) . . ?
C46 C47 H47 119.8 . . ?
C48 C47 H47 119.8 . . ?
C47 C48 C43 122.0(3) . . ?
C47 C48 H48 119.0 . . ?
C43 C48 H48 119.0 . . ?
N1 C49 N2 103.3(2) . . ?
N1 C49 Ni1 128.1(2) . . ?
N2 C49 Ni1 128.3(2) . . ?
C51 C50 N1 106.5(3) . . ?
C51 C50 C53 130.4(3) . . ?
N1 C50 C53 123.0(3) . . ?
C50 C51 N2 106.8(2) . . ?
C50 C51 C55 130.5(3) . . ?
N2 C51 C55 122.6(3) . . ?
N1 C52 H52A 109.5 . . ?
N1 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
N1 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C50 C53 C54 113.5(3) . . ?
C50 C53 H53A 108.9 . . ?
C54 C53 H53A 108.9 . . ?
C50 C53 H53B 108.9 . . ?
C54 C53 H53B 108.9 . . ?
H53A C53 H53B 107.7 . . ?
C53 C54 H54A 109.5 . . ?
C53 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C53 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C51 C55 C56 113.3(3) . . ?
C51 C55 H55A 108.9 . . ?
C56 C55 H55A 108.9 . . ?
C51 C55 H55B 108.9 . . ?
C56 C55 H55B 108.9 . . ?
H55A C55 H55B 107.7 . . ?
C55 C56 H56A 109.5 . . ?
C55 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C55 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
N2 C57 H57A 109.5 . . ?
N2 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
N2 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
N4 C58 N3 103.01(19) . . ?
N4 C58 Ni1 128.27(18) . . ?
N3 C58 Ni1 128.43(18) . . ?
C60 C59 N3 106.8(2) . . ?
C60 C59 C62 130.6(2) . . ?
N3 C59 C62 122.5(2) . . ?
C59 C60 N4 106.0(2) . . ?
C59 C60 C64 130.8(2) . . ?
N4 C60 C64 123.2(2) . . ?
N3 C61 H61A 109.5 . . ?
N3 C61 H61B 109.5 . . ?
H61A C61 H61B 109.5 . . ?
N3 C61 H61C 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C59 C62 C63 113.2(3) . . ?
C59 C62 H62A 108.9 . . ?
C63 C62 H62A 108.9 . . ?
C59 C62 H62B 108.9 . . ?
C63 C62 H62B 108.9 . . ?
H62A C62 H62B 107.8 . . ?
C62 C63 H63A 109.5 . . ?
C62 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
C62 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C60 C64 C65 114.5(3) . . ?
C60 C64 H64A 108.6 . . ?
C65 C64 H64A 108.6 . . ?
C60 C64 H64B 108.6 . . ?
C65 C64 H64B 108.6 . . ?
H64A C64 H64B 107.6 . . ?
C64 C65 H65A 109.5 . . ?
C64 C65 H65B 109.5 . . ?
H65A C65 H65B 109.5 . . ?
C64 C65 H65C 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
N4 C66 H66A 109.5 . . ?
N4 C66 H66B 109.5 . . ?
H66A C66 H66B 109.5 . . ?
N4 C66 H66C 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6 C1 C2 C3 1.4(4) . . . . ?
Si1 C1 C2 C3 -173.3(3) . . . . ?
C1 C2 C3 C4 -0.2(6) . . . . ?
C2 C3 C4 C5 -1.1(6) . . . . ?
C3 C4 C5 C6 1.1(6) . . . . ?
C4 C5 C6 C1 0.2(5) . . . . ?
C2 C1 C6 C5 -1.4(4) . . . . ?
Si1 C1 C6 C5 173.5(2) . . . . ?
C12 C7 C8 C9 -1.1(4) . . . . ?
Si1 C7 C8 C9 175.0(2) . . . . ?
C7 C8 C9 C10 -0.2(4) . . . . ?
C8 C9 C10 C11 1.3(5) . . . . ?
C9 C10 C11 C12 -1.0(5) . . . . ?
C10 C11 C12 C7 -0.4(5) . . . . ?
C8 C7 C12 C11 1.5(4) . . . . ?
Si1 C7 C12 C11 -174.5(2) . . . . ?
C19 Si2 C13 C14 -70.3(2) . . . . ?
Si3 Si2 C13 C14 161.48(19) . . . . ?
Si1 Si2 C13 C14 53.8(2) . . . . ?
C19 Si2 C13 C18 107.0(2) . . . . ?
Si3 Si2 C13 C18 -21.1(2) . . . . ?
Si1 Si2 C13 C18 -128.8(2) . . . . ?
C18 C13 C14 C15 -0.1(4) . . . . ?
Si2 C13 C14 C15 177.4(2) . . . . ?
C13 C14 C15 C16 0.5(4) . . . . ?
C14 C15 C16 C17 -0.6(4) . . . . ?
C15 C16 C17 C18 0.3(4) . . . . ?
C14 C13 C18 C17 -0.2(4) . . . . ?
Si2 C13 C18 C17 -177.7(2) . . . . ?
C16 C17 C18 C13 0.1(4) . . . . ?
C13 Si2 C19 C24 -116.6(3) . . . . ?
Si3 Si2 C19 C24 6.3(3) . . . . ?
Si1 Si2 C19 C24 119.6(3) . . . . ?
C13 Si2 C19 C20 60.2(3) . . . . ?
Si3 Si2 C19 C20 -176.9(2) . . . . ?
Si1 Si2 C19 C20 -63.6(2) . . . . ?
C24 C19 C20 C21 -0.1(5) . . . . ?
Si2 C19 C20 C21 -177.1(3) . . . . ?
C19 C20 C21 C22 0.0(6) . . . . ?
C20 C21 C22 C23 0.4(6) . . . . ?
C21 C22 C23 C24 -0.8(7) . . . . ?
C20 C19 C24 C23 -0.4(5) . . . . ?
Si2 C19 C24 C23 176.5(3) . . . . ?
C22 C23 C24 C19 0.8(6) . . . . ?
C31 Si3 C25 C26 87.2(2) . . . . ?
Si2 Si3 C25 C26 -148.9(2) . . . . ?
Si4 Si3 C25 C26 -37.4(2) . . . . ?
C31 Si3 C25 C30 -90.2(2) . . . . ?
Si2 Si3 C25 C30 33.7(2) . . . . ?
Si4 Si3 C25 C30 145.20(19) . . . . ?
C30 C25 C26 C27 -0.8(4) . . . . ?
Si3 C25 C26 C27 -178.3(2) . . . . ?
C25 C26 C27 C28 0.9(5) . . . . ?
C26 C27 C28 C29 0.0(5) . . . . ?
C27 C28 C29 C30 -0.8(5) . . . . ?
C28 C29 C30 C25 0.9(5) . . . . ?
C26 C25 C30 C29 -0.1(4) . . . . ?
Si3 C25 C30 C29 177.4(2) . . . . ?
C25 Si3 C31 C36 -159.2(3) . . . . ?
Si2 Si3 C31 C36 73.9(3) . . . . ?
Si4 Si3 C31 C36 -30.4(3) . . . . ?
C25 Si3 C31 C32 17.0(3) . . . . ?
Si2 Si3 C31 C32 -109.8(3) . . . . ?
Si4 Si3 C31 C32 145.8(2) . . . . ?
C36 C31 C32 C33 0.0(5) . . . . ?
Si3 C31 C32 C33 -176.4(3) . . . . ?
C31 C32 C33 C34 -0.8(6) . . . . ?
C32 C33 C34 C35 -0.1(7) . . . . ?
C33 C34 C35 C36 1.8(7) . . . . ?
C32 C31 C36 C35 1.7(6) . . . . ?
Si3 C31 C36 C35 178.2(4) . . . . ?
C34 C35 C36 C31 -2.7(7) . . . . ?
C43 Si4 C37 C38 145.0(2) . . . . ?
Ni1 Si4 C37 C38 20.6(3) . . . . ?
Si3 Si4 C37 C38 -103.2(2) . . . . ?
C43 Si4 C37 C42 -36.1(2) . . . . ?
Ni1 Si4 C37 C42 -160.5(2) . . . . ?
Si3 Si4 C37 C42 75.7(2) . . . . ?
C42 C37 C38 C39 3.3(4) . . . . ?
Si4 C37 C38 C39 -177.8(2) . . . . ?
C37 C38 C39 C40 -1.4(5) . . . . ?
C38 C39 C40 C41 -1.5(6) . . . . ?
C39 C40 C41 C42 2.4(6) . . . . ?
C40 C41 C42 C37 -0.4(6) . . . . ?
C38 C37 C42 C41 -2.3(4) . . . . ?
Si4 C37 C42 C41 178.7(3) . . . . ?
C48 C43 C44 C45 -1.0(4) . . . . ?
Si4 C43 C44 C45 -177.3(2) . . . . ?
C43 C44 C45 C46 1.1(4) . . . . ?
C44 C45 C46 C47 -0.2(5) . . . . ?
C45 C46 C47 C48 -0.7(5) . . . . ?
C46 C47 C48 C43 0.8(5) . . . . ?
C44 C43 C48 C47 0.1(4) . . . . ?
Si4 C43 C48 C47 176.3(3) . . . . ?
C50 N1 C49 N2 0.2(3) . . . . ?
C52 N1 C49 N2 -178.5(3) . . . . ?
C50 N1 C49 Ni1 174.7(2) . . . . ?
C52 N1 C49 Ni1 -4.0(4) . . . . ?
C51 N2 C49 N1 -1.0(3) . . . . ?
C57 N2 C49 N1 -176.6(2) . . . . ?
C51 N2 C49 Ni1 -175.51(19) . . . . ?
C57 N2 C49 Ni1 8.8(4) . . . . ?
C49 N1 C50 C51 0.7(3) . . . . ?
C52 N1 C50 C51 179.4(3) . . . . ?
C49 N1 C50 C53 177.6(3) . . . . ?
C52 N1 C50 C53 -3.7(5) . . . . ?
N1 C50 C51 N2 -1.3(3) . . . . ?
C53 C50 C51 N2 -177.9(3) . . . . ?
N1 C50 C51 C55 179.1(3) . . . . ?
C53 C50 C51 C55 2.5(6) . . . . ?
C49 N2 C51 C50 1.5(3) . . . . ?
C57 N2 C51 C50 177.2(3) . . . . ?
C49 N2 C51 C55 -178.9(3) . . . . ?
C57 N2 C51 C55 -3.2(4) . . . . ?
C51 C50 C53 C54 98.0(5) . . . . ?
N1 C50 C53 C54 -78.1(5) . . . . ?
C50 C51 C55 C56 98.4(5) . . . . ?
N2 C51 C55 C56 -81.1(4) . . . . ?
C60 N4 C58 N3 -0.8(3) . . . . ?
C66 N4 C58 N3 177.8(2) . . . . ?
C60 N4 C58 Ni1 173.32(18) . . . . ?
C66 N4 C58 Ni1 -8.1(4) . . . . ?
C59 N3 C58 N4 0.4(3) . . . . ?
C61 N3 C58 N4 -179.0(2) . . . . ?
C59 N3 C58 Ni1 -173.65(18) . . . . ?
C61 N3 C58 Ni1 6.9(4) . . . . ?
C58 N3 C59 C60 0.1(3) . . . . ?
C61 N3 C59 C60 179.5(2) . . . . ?
C58 N3 C59 C62 -177.8(2) . . . . ?
C61 N3 C59 C62 1.6(4) . . . . ?
N3 C59 C60 N4 -0.5(3) . . . . ?
C62 C59 C60 N4 177.1(3) . . . . ?
N3 C59 C60 C64 178.6(3) . . . . ?
C62 C59 C60 C64 -3.8(5) . . . . ?
C58 N4 C60 C59 0.9(3) . . . . ?
C66 N4 C60 C59 -177.7(3) . . . . ?
C58 N4 C60 C64 -178.4(3) . . . . ?
C66 N4 C60 C64 3.1(4) . . . . ?
C60 C59 C62 C63 -90.0(4) . . . . ?
N3 C59 C62 C63 87.3(4) . . . . ?
C59 C60 C64 C65 102.7(4) . . . . ?
N4 C60 C64 C65 -78.3(4) . . . . ?


#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.





#==============================================================================
#     End of CIF
#==============================================================================
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_disilylketenimine
_database_code_depnum_ccdc_archive 'CCDC 2120738'
loop_
_audit_author_name
_audit_author_address
'Yusuke Sunada'
;The University of Tokyo
Japan
;
_audit_update_record             
;
2021-11-08 deposited with the CCDC.	2022-03-14 downloaded from the CCDC.
;

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C34 H29 N2 Si2'
_chemical_formula_moiety         'C34 H29 N2 Si2'
_chemical_formula_weight         521.79
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_space_group_crystal_system      triclinic
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
_space_group_IT_number           2
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -X,-Y,-Z
#------------------------------------------------------------------------------
_cell_length_a                   10.310(3)
_cell_length_b                   12.326(3)
_cell_length_c                   12.941(3)
_cell_angle_alpha                77.219(5)
_cell_angle_beta                 79.312(6)
_cell_angle_gamma                79.801(6)
_cell_volume                     1560.0(6)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    6668
_cell_measurement_theta_min      1.65
_cell_measurement_theta_max      15.49
_cell_measurement_temperature    100
#------------------------------------------------------------------------------
_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.050
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.030
_exptl_crystal_density_diffrn    1.111
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             550.00
_exptl_absorpt_coefficient_mu    0.000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_absorpt_correction_T_min  0.825
_exptl_absorpt_correction_T_max  1.000

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      100
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.41260
_diffrn_measurement_device_type  'Rigaku R-AXIS IV'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 5.814
_diffrn_reflns_number            45326
_diffrn_reflns_av_unetI/netI     0.0201
_diffrn_reflns_av_R_equivalents  0.0347
_diffrn_reflns_theta_max         15.500
_diffrn_reflns_theta_min         1.232
_diffrn_reflns_theta_full        14.333
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measured_fraction_theta_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?
_reflns_number_total             7039
_reflns_number_gt                6260
_reflns_threshold_expression     F²>2.0σ(F²)
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_all          0.0507
_refine_ls_R_factor_gt           0.0451
_refine_ls_wR_factor_ref         0.1258
_refine_ls_wR_factor_gt          0.1209
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         7039
_refine_ls_number_parameters     340
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.0669P)²+0.9661P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.001
_refine_diff_density_max         0.81
_refine_diff_density_min         -0.39
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
Si Si 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Si1 Si 0.34744(4) 0.68613(3) 0.79373(3) 0.01782(11) Uani 1 1 d . . . . .
Si2 Si 0.19158(4) 0.87639(3) 0.74386(3) 0.01802(11) Uani 1 1 d . . . . .
N1 N 0.25763(12) 0.79500(10) 0.85701(10) 0.0189(2) Uani 1 1 d . . . . .
N2 N 0.30596(13) 0.71024(11) 0.48856(10) 0.0222(3) Uani 1 1 d . . . . .
C1 C 0.27703(14) 0.76287(12) 0.67046(12) 0.0204(3) Uani 1 1 d . . . . .
C2 C 0.28535(14) 0.73433(12) 0.57732(12) 0.0195(3) Uani 1 1 d . . . . .
C3 C 0.23529(17) 0.63308(14) 0.45107(13) 0.0269(3) Uani 1 1 d . . . . .
C4 C 0.3373(3) 0.5889(2) 0.3585(2) 0.0334(5) Uiso 0.7 1 d . . P . .
C5 C 0.1960(4) 0.5362(3) 0.5417(2) 0.0377(6) Uiso 0.7 1 d . . P . .
C6 C 0.0799(9) 0.6923(8) 0.4636(8) 0.058(2) Uiso 0.3 1 d . . P . .
C7 C 0.2797(14) 0.6367(12) 0.3362(11) 0.089(3) Uiso 0.3 1 d . . P . .
C8 C 0.2472(9) 0.5172(7) 0.5348(6) 0.0422(17) Uiso 0.3 1 d . . P . .
C9 C 0.1133(3) 0.7004(3) 0.4046(3) 0.0433(6) Uiso 0.7 1 d . . P . .
C10 C 0.26915(15) 0.82378(13) 0.96049(12) 0.0212(3) Uani 1 1 d . . . . .
C11 C 0.39497(16) 0.88026(16) 0.94773(15) 0.0315(4) Uani 1 1 d . . . . .
H11A H 0.401735 0.898892 1.016161 0.038 Uiso 1 1 calc R U . . .
H11B H 0.474173 0.828612 0.926105 0.038 Uiso 1 1 calc R U . . .
H11C H 0.388848 0.949138 0.892819 0.038 Uiso 1 1 calc R U . . .
C12 C 0.27845(19) 0.71566(15) 1.04636(13) 0.0323(4) Uani 1 1 d . . . . .
H12A H 0.286055 0.733970 1.114735 0.039 Uiso 1 1 calc R U . . .
H12B H 0.198115 0.680350 1.054771 0.039 Uiso 1 1 calc R U . . .
H12C H 0.357107 0.663663 1.024366 0.039 Uiso 1 1 calc R U . . .
C13 C 0.14635(17) 0.90507(15) 0.99588(14) 0.0302(3) Uani 1 1 d . . . . .
H13A H 0.155001 0.923407 1.063996 0.036 Uiso 1 1 calc R U . . .
H13B H 0.139698 0.974058 0.941148 0.036 Uiso 1 1 calc R U . . .
H13C H 0.065938 0.869662 1.005107 0.036 Uiso 1 1 calc R U . . .
C14 C 0.53569(14) 0.66780(12) 0.77506(12) 0.0200(3) Uani 1 1 d . . . . .
C15 C 0.60697(15) 0.71008(13) 0.67428(13) 0.0240(3) Uani 1 1 d . . . . .
H15 H 0.559295 0.748680 0.617605 0.029 Uiso 1 1 calc R U . . .
C16 C 0.74690(16) 0.69624(15) 0.65612(14) 0.0292(3) Uani 1 1 d . . . . .
H16 H 0.793087 0.725327 0.587720 0.035 Uiso 1 1 calc R U . . .
C17 C 0.81806(16) 0.63965(15) 0.73878(15) 0.0309(4) Uani 1 1 d . . . . .
H17 H 0.912777 0.629964 0.726715 0.037 Uiso 1 1 calc R U . . .
C18 C 0.74948(16) 0.59718(14) 0.83955(14) 0.0280(3) Uani 1 1 d . . . . .
H18 H 0.797720 0.558926 0.895992 0.034 Uiso 1 1 calc R U . . .
C19 C 0.61036(15) 0.61099(13) 0.85715(13) 0.0237(3) Uani 1 1 d . . . . .
H19 H 0.564938 0.581573 0.925754 0.028 Uiso 1 1 calc R U . . .
C20 C 0.29043(15) 0.54393(12) 0.84488(11) 0.0202(3) Uani 1 1 d . . . . .
C21 C 0.37973(15) 0.44282(13) 0.84764(12) 0.0228(3) Uani 1 1 d . . . . .
H21 H 0.472973 0.445580 0.832025 0.027 Uiso 1 1 calc R U . . .
C22 C 0.33356(17) 0.33813(14) 0.87300(13) 0.0275(3) Uani 1 1 d . . . . .
H22 H 0.395371 0.270966 0.874526 0.033 Uiso 1 1 calc R U . . .
C23 C 0.19695(17) 0.33275(14) 0.89597(13) 0.0283(3) Uani 1 1 d . . . . .
H23 H 0.165610 0.261968 0.913000 0.034 Uiso 1 1 calc R U . . .
C24 C 0.10635(17) 0.43162(15) 0.89386(14) 0.0294(3) Uani 1 1 d . . . . .
H24 H 0.013257 0.428161 0.909329 0.035 Uiso 1 1 calc R U . . .
C25 C 0.15270(16) 0.53576(14) 0.86898(13) 0.0259(3) Uani 1 1 d . . . . .
H25 H 0.090189 0.602455 0.868264 0.031 Uiso 1 1 calc R U . . .
C26 C 0.00453(14) 0.90408(12) 0.75341(12) 0.0209(3) Uani 1 1 d . . . . .
C27 C -0.08238(15) 0.85332(13) 0.84075(13) 0.0233(3) Uani 1 1 d . . . . .
H27 H -0.046300 0.801751 0.898061 0.028 Uiso 1 1 calc R U . . .
C28 C -0.22113(16) 0.87737(14) 0.84483(14) 0.0281(3) Uani 1 1 d . . . . .
H28 H -0.278088 0.843679 0.905352 0.034 Uiso 1 1 calc R U . . .
C29 C -0.27544(17) 0.95056(15) 0.76028(17) 0.0347(4) Uani 1 1 d . . . . .
H29 H -0.369457 0.967170 0.763125 0.042 Uiso 1 1 calc R U . . .
C30 C -0.19132(18) 0.99957(16) 0.67115(17) 0.0397(5) Uani 1 1 d . . . . .
H30 H -0.228075 1.048172 0.612561 0.048 Uiso 1 1 calc R U . . .
C31 C -0.05282(17) 0.97701(15) 0.66823(15) 0.0323(4) Uani 1 1 d . . . . .
H31 H 0.003524 1.011481 0.607727 0.039 Uiso 1 1 calc R U . . .
C32 C 0.25772(14) 1.01459(12) 0.69093(12) 0.0201(3) Uani 1 1 d . . . . .
C33 C 0.18161(15) 1.11855(13) 0.70448(13) 0.0242(3) Uani 1 1 d . . . . .
H33 H 0.091202 1.120695 0.737791 0.029 Uiso 1 1 calc R U . . .
C34 C 0.23668(17) 1.21904(13) 0.66974(13) 0.0276(3) Uani 1 1 d . . . . .
H34 H 0.183542 1.288404 0.679358 0.033 Uiso 1 1 calc R U . . .
C35 C 0.36967(17) 1.21721(14) 0.62098(13) 0.0275(3) Uani 1 1 d . . . . .
H35 H 0.407365 1.285132 0.598048 0.033 Uiso 1 1 calc R U . . .
C36 C 0.44672(16) 1.11542(14) 0.60614(14) 0.0283(3) Uani 1 1 d . . . . .
H36 H 0.537073 1.113942 0.572821 0.034 Uiso 1 1 calc R U . . .
C37 C 0.39137(15) 1.01530(13) 0.64019(13) 0.0250(3) Uani 1 1 d . . . . .
H37 H 0.444689 0.946490 0.628972 0.030 Uiso 1 1 calc R U . . .


#==============================================================================
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_cell_refinement       'RAPID AUTO'
_computing_data_reduction        'RAPID AUTO'
_computing_structure_solution    'SIR2014 (Burla, et al., 2014)'
_computing_structure_refinement  'SHELXL Version 2017/1 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.3 (Rigaku, 2019)'
_computing_molecular_graphics    'CrystalStructure 4.3'

#==============================================================================
# MOLECULAR GEOMETRY

_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Si1 N1 1.7590(13) . ?
Si1 C1 1.8669(15) . ?
Si1 C20 1.8876(16) . ?
Si1 C14 1.8897(16) . ?
Si1 Si2 2.6228(7) . ?
Si2 N1 1.7584(13) . ?
Si2 C1 1.8647(15) . ?
Si2 C26 1.8835(16) . ?
Si2 C32 1.8863(16) . ?
N1 C10 1.4890(19) . ?
N2 C2 1.221(2) . ?
N2 C3 1.500(2) . ?
C1 C2 1.312(2) . ?
C3 C7 1.465(13) . ?
C3 C9 1.524(4) . ?
C3 C5 1.530(3) . ?
C3 C4 1.567(3) . ?
C3 C8 1.591(8) . ?
C3 C6 1.633(9) . ?
C4 C7 0.805(13) . ?
C5 C8 0.537(8) . ?
C6 C9 0.770(9) . ?
C7 C9 1.900(14) . ?
C10 C13 1.535(2) . ?
C10 C12 1.536(2) . ?
C10 C11 1.544(2) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 C15 1.411(2) . ?
C14 C19 1.412(2) . ?
C15 C16 1.404(2) . ?
C15 H15 0.9500 . ?
C16 C17 1.396(3) . ?
C16 H16 0.9500 . ?
C17 C18 1.401(3) . ?
C17 H17 0.9500 . ?
C18 C19 1.396(2) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C20 C21 1.410(2) . ?
C20 C25 1.413(2) . ?
C21 C22 1.404(2) . ?
C21 H21 0.9500 . ?
C22 C23 1.395(2) . ?
C22 H22 0.9500 . ?
C23 C24 1.396(2) . ?
C23 H23 0.9500 . ?
C24 C25 1.399(2) . ?
C24 H24 0.9500 . ?
C25 H25 0.9500 . ?
C26 C27 1.408(2) . ?
C26 C31 1.410(2) . ?
C27 C28 1.402(2) . ?
C27 H27 0.9500 . ?
C28 C29 1.392(3) . ?
C28 H28 0.9500 . ?
C29 C30 1.398(3) . ?
C29 H29 0.9500 . ?
C30 C31 1.400(2) . ?
C30 H30 0.9500 . ?
C31 H31 0.9500 . ?
C32 C33 1.407(2) . ?
C32 C37 1.413(2) . ?
C33 C34 1.402(2) . ?
C33 H33 0.9500 . ?
C34 C35 1.398(2) . ?
C34 H34 0.9500 . ?
C35 C36 1.393(2) . ?
C35 H35 0.9500 . ?
C36 C37 1.399(2) . ?
C36 H36 0.9500 . ?
C37 H37 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Si1 C1 87.05(6) . . ?
N1 Si1 C20 115.75(6) . . ?
C1 Si1 C20 111.98(7) . . ?
N1 Si1 C14 118.30(6) . . ?
C1 Si1 C14 113.30(7) . . ?
C20 Si1 C14 108.95(7) . . ?
N1 Si1 Si2 41.78(4) . . ?
C1 Si1 Si2 45.31(5) . . ?
C20 Si1 Si2 125.46(5) . . ?
C14 Si1 Si2 125.46(5) . . ?
N1 Si2 C1 87.13(6) . . ?
N1 Si2 C26 117.24(6) . . ?
C1 Si2 C26 115.51(7) . . ?
N1 Si2 C32 114.22(6) . . ?
C1 Si2 C32 113.69(7) . . ?
C26 Si2 C32 108.09(7) . . ?
N1 Si2 Si1 41.79(4) . . ?
C1 Si2 Si1 45.38(5) . . ?
C26 Si2 Si1 129.33(5) . . ?
C32 Si2 Si1 122.58(5) . . ?
C10 N1 Si2 131.26(10) . . ?
C10 N1 Si1 129.98(10) . . ?
Si2 N1 Si1 96.43(6) . . ?
C2 N2 C3 126.78(13) . . ?
C2 C1 Si2 139.88(12) . . ?
C2 C1 Si1 130.65(12) . . ?
Si2 C1 Si1 89.31(7) . . ?
N2 C2 C1 173.53(15) . . ?
C7 C3 N2 109.4(5) . . ?
C7 C3 C9 78.9(6) . . ?
N2 C3 C9 109.30(16) . . ?
C7 C3 C5 130.8(6) . . ?
N2 C3 C5 111.54(16) . . ?
C9 C3 C5 111.0(2) . . ?
C7 C3 C4 30.5(5) . . ?
N2 C3 C4 104.86(15) . . ?
C9 C3 C4 108.66(19) . . ?
C5 C3 C4 111.27(19) . . ?
C7 C3 C8 120.8(6) . . ?
N2 C3 C8 106.4(3) . . ?
C9 C3 C8 129.2(4) . . ?
C5 C3 C8 19.7(3) . . ?
C4 C3 C8 95.5(3) . . ?
C7 C3 C6 106.5(7) . . ?
N2 C3 C6 103.7(3) . . ?
C9 C3 C6 28.0(3) . . ?
C5 C3 C6 89.1(4) . . ?
C4 C3 C6 135.1(4) . . ?
C8 C3 C6 108.8(5) . . ?
C7 C4 C3 67.7(10) . . ?
C8 C5 C3 86.6(10) . . ?
C9 C6 C3 68.1(7) . . ?
C4 C7 C3 81.8(11) . . ?
C4 C7 C9 132.1(13) . . ?
C3 C7 C9 51.9(4) . . ?
C5 C8 C3 73.7(10) . . ?
C6 C9 C3 83.9(8) . . ?
C6 C9 C7 132.2(9) . . ?
C3 C9 C7 49.2(4) . . ?
N1 C10 C13 110.18(12) . . ?
N1 C10 C12 109.02(12) . . ?
C13 C10 C12 109.16(14) . . ?
N1 C10 C11 110.04(12) . . ?
C13 C10 C11 108.79(13) . . ?
C12 C10 C11 109.64(14) . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C10 C13 H13A 109.5 . . ?
C10 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C10 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C15 C14 C19 117.54(14) . . ?
C15 C14 Si1 119.38(11) . . ?
C19 C14 Si1 123.07(11) . . ?
C16 C15 C14 121.32(15) . . ?
C16 C15 H15 119.3 . . ?
C14 C15 H15 119.3 . . ?
C17 C16 C15 119.86(15) . . ?
C17 C16 H16 120.1 . . ?
C15 C16 H16 120.1 . . ?
C16 C17 C18 119.84(15) . . ?
C16 C17 H17 120.1 . . ?
C18 C17 H17 120.1 . . ?
C19 C18 C17 120.08(15) . . ?
C19 C18 H18 120.0 . . ?
C17 C18 H18 120.0 . . ?
C18 C19 C14 121.36(15) . . ?
C18 C19 H19 119.3 . . ?
C14 C19 H19 119.3 . . ?
C21 C20 C25 117.40(14) . . ?
C21 C20 Si1 122.34(11) . . ?
C25 C20 Si1 119.78(11) . . ?
C22 C21 C20 121.30(14) . . ?
C22 C21 H21 119.4 . . ?
C20 C21 H21 119.4 . . ?
C23 C22 C21 120.01(15) . . ?
C23 C22 H22 120.0 . . ?
C21 C22 H22 120.0 . . ?
C22 C23 C24 119.86(15) . . ?
C22 C23 H23 120.1 . . ?
C24 C23 H23 120.1 . . ?
C23 C24 C25 119.99(15) . . ?
C23 C24 H24 120.0 . . ?
C25 C24 H24 120.0 . . ?
C24 C25 C20 121.45(15) . . ?
C24 C25 H25 119.3 . . ?
C20 C25 H25 119.3 . . ?
C27 C26 C31 117.58(14) . . ?
C27 C26 Si2 123.33(11) . . ?
C31 C26 Si2 119.07(12) . . ?
C28 C27 C26 121.31(15) . . ?
C28 C27 H27 119.3 . . ?
C26 C27 H27 119.3 . . ?
C29 C28 C27 120.03(15) . . ?
C29 C28 H28 120.0 . . ?
C27 C28 H28 120.0 . . ?
C28 C29 C30 119.83(15) . . ?
C28 C29 H29 120.1 . . ?
C30 C29 H29 120.1 . . ?
C29 C30 C31 119.98(16) . . ?
C29 C30 H30 120.0 . . ?
C31 C30 H30 120.0 . . ?
C30 C31 C26 121.23(16) . . ?
C30 C31 H31 119.4 . . ?
C26 C31 H31 119.4 . . ?
C33 C32 C37 117.53(14) . . ?
C33 C32 Si2 122.84(11) . . ?
C37 C32 Si2 119.55(11) . . ?
C34 C33 C32 121.26(14) . . ?
C34 C33 H33 119.4 . . ?
C32 C33 H33 119.4 . . ?
C35 C34 C33 120.04(15) . . ?
C35 C34 H34 120.0 . . ?
C33 C34 H34 120.0 . . ?
C36 C35 C34 119.73(15) . . ?
C36 C35 H35 120.1 . . ?
C34 C35 H35 120.1 . . ?
C35 C36 C37 120.16(15) . . ?
C35 C36 H36 119.9 . . ?
C37 C36 H36 119.9 . . ?
C36 C37 C32 121.27(14) . . ?
C36 C37 H37 119.4 . . ?
C32 C37 H37 119.4 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 Si2 N1 C10 165.76(13) . . . . ?
C26 Si2 N1 C10 -76.90(14) . . . . ?
C32 Si2 N1 C10 51.01(14) . . . . ?
Si1 Si2 N1 C10 163.51(16) . . . . ?
C1 Si2 N1 Si1 2.25(6) . . . . ?
C26 Si2 N1 Si1 119.58(7) . . . . ?
C32 Si2 N1 Si1 -112.50(7) . . . . ?
C1 Si1 N1 C10 -166.08(13) . . . . ?
C20 Si1 N1 C10 80.89(14) . . . . ?
C14 Si1 N1 C10 -51.11(14) . . . . ?
Si2 Si1 N1 C10 -163.83(16) . . . . ?
C1 Si1 N1 Si2 -2.24(6) . . . . ?
C20 Si1 N1 Si2 -115.27(7) . . . . ?
C14 Si1 N1 Si2 112.73(7) . . . . ?
N1 Si2 C1 C2 173.30(19) . . . . ?
C26 Si2 C1 C2 54.4(2) . . . . ?
C32 Si2 C1 C2 -71.45(19) . . . . ?
Si1 Si2 C1 C2 175.4(2) . . . . ?
N1 Si2 C1 Si1 -2.10(6) . . . . ?
C26 Si2 C1 Si1 -121.04(7) . . . . ?
C32 Si2 C1 Si1 113.15(7) . . . . ?
N1 Si1 C1 C2 -174.00(15) . . . . ?
C20 Si1 C1 C2 -57.36(16) . . . . ?
C14 Si1 C1 C2 66.35(16) . . . . ?
Si2 Si1 C1 C2 -176.10(19) . . . . ?
N1 Si1 C1 Si2 2.10(6) . . . . ?
C20 Si1 C1 Si2 118.73(7) . . . . ?
C14 Si1 C1 Si2 -117.55(7) . . . . ?
C2 N2 C3 C7 173.8(6) . . . . ?
C2 N2 C3 C9 89.2(2) . . . . ?
C2 N2 C3 C5 -34.0(3) . . . . ?
C2 N2 C3 C4 -154.52(17) . . . . ?
C2 N2 C3 C8 -54.1(4) . . . . ?
C2 N2 C3 C6 60.5(4) . . . . ?
N2 C3 C4 C7 -103.1(11) . . . . ?
C9 C3 C4 C7 13.7(11) . . . . ?
C5 C3 C4 C7 136.1(11) . . . . ?
C8 C3 C4 C7 148.3(11) . . . . ?
C6 C3 C4 C7 24.7(12) . . . . ?
C7 C3 C5 C8 66.0(12) . . . . ?
N2 C3 C5 C8 -78.4(10) . . . . ?
C9 C3 C5 C8 159.4(10) . . . . ?
C4 C3 C5 C8 38.3(10) . . . . ?
C6 C3 C5 C8 177.2(10) . . . . ?
C7 C3 C6 C9 -9.9(9) . . . . ?
N2 C3 C6 C9 105.5(7) . . . . ?
C5 C3 C6 C9 -142.6(7) . . . . ?
C4 C3 C6 C9 -22.7(10) . . . . ?
C8 C3 C6 C9 -141.6(7) . . . . ?
C3 C4 C7 C9 -14.0(11) . . . . ?
N2 C3 C7 C4 86.4(10) . . . . ?
C9 C3 C7 C4 -166.8(10) . . . . ?
C5 C3 C7 C4 -58.6(13) . . . . ?
C8 C3 C7 C4 -37.6(12) . . . . ?
C6 C3 C7 C4 -162.1(9) . . . . ?
N2 C3 C7 C9 -106.7(3) . . . . ?
C5 C3 C7 C9 108.3(5) . . . . ?
C4 C3 C7 C9 166.8(10) . . . . ?
C8 C3 C7 C9 129.3(5) . . . . ?
C6 C3 C7 C9 4.7(4) . . . . ?
C7 C3 C8 C5 -126.4(11) . . . . ?
N2 C3 C8 C5 108.2(9) . . . . ?
C9 C3 C8 C5 -25.0(11) . . . . ?
C4 C3 C8 C5 -144.5(9) . . . . ?
C6 C3 C8 C5 -2.9(11) . . . . ?
C3 C6 C9 C7 9.9(9) . . . . ?
C7 C3 C9 C6 170.3(9) . . . . ?
N2 C3 C9 C6 -82.8(8) . . . . ?
C5 C3 C9 C6 40.6(8) . . . . ?
C4 C3 C9 C6 163.3(7) . . . . ?
C8 C3 C9 C6 49.4(9) . . . . ?
N2 C3 C9 C7 106.9(6) . . . . ?
C5 C3 C9 C7 -129.7(6) . . . . ?
C4 C3 C9 C7 -7.0(6) . . . . ?
C8 C3 C9 C7 -120.9(7) . . . . ?
C6 C3 C9 C7 -170.3(9) . . . . ?
C4 C7 C9 C6 5(2) . . . . ?
C3 C7 C9 C6 -13.1(12) . . . . ?
C4 C7 C9 C3 17.7(14) . . . . ?
Si2 N1 C10 C13 36.64(18) . . . . ?
Si1 N1 C10 C13 -164.96(11) . . . . ?
Si2 N1 C10 C12 156.41(12) . . . . ?
Si1 N1 C10 C12 -45.18(17) . . . . ?
Si2 N1 C10 C11 -83.31(16) . . . . ?
Si1 N1 C10 C11 75.09(16) . . . . ?
N1 Si1 C14 C15 -100.27(13) . . . . ?
C1 Si1 C14 C15 -0.59(14) . . . . ?
C20 Si1 C14 C15 124.77(12) . . . . ?
Si2 Si1 C14 C15 -51.29(14) . . . . ?
N1 Si1 C14 C19 81.18(14) . . . . ?
C1 Si1 C14 C19 -179.13(12) . . . . ?
C20 Si1 C14 C19 -53.77(14) . . . . ?
Si2 Si1 C14 C19 130.16(11) . . . . ?
C19 C14 C15 C16 0.0(2) . . . . ?
Si1 C14 C15 C16 -178.60(12) . . . . ?
C14 C15 C16 C17 0.0(2) . . . . ?
C15 C16 C17 C18 -0.2(2) . . . . ?
C16 C17 C18 C19 0.3(2) . . . . ?
C17 C18 C19 C14 -0.2(2) . . . . ?
C15 C14 C19 C18 0.1(2) . . . . ?
Si1 C14 C19 C18 178.66(12) . . . . ?
N1 Si1 C20 C21 -146.71(12) . . . . ?
C1 Si1 C20 C21 115.65(13) . . . . ?
C14 Si1 C20 C21 -10.48(14) . . . . ?
Si2 Si1 C20 C21 165.59(10) . . . . ?
N1 Si1 C20 C25 41.49(14) . . . . ?
C1 Si1 C20 C25 -56.15(14) . . . . ?
C14 Si1 C20 C25 177.72(12) . . . . ?
Si2 Si1 C20 C25 -6.22(15) . . . . ?
C25 C20 C21 C22 0.2(2) . . . . ?
Si1 C20 C21 C22 -171.79(12) . . . . ?
C20 C21 C22 C23 0.1(2) . . . . ?
C21 C22 C23 C24 -0.1(2) . . . . ?
C22 C23 C24 C25 -0.1(3) . . . . ?
C23 C24 C25 C20 0.4(3) . . . . ?
C21 C20 C25 C24 -0.5(2) . . . . ?
Si1 C20 C25 C24 171.74(13) . . . . ?
N1 Si2 C26 C27 -7.15(15) . . . . ?
C1 Si2 C26 C27 93.41(14) . . . . ?
C32 Si2 C26 C27 -137.96(13) . . . . ?
Si1 Si2 C26 C27 41.37(16) . . . . ?
N1 Si2 C26 C31 174.47(12) . . . . ?
C1 Si2 C26 C31 -84.97(14) . . . . ?
C32 Si2 C26 C31 43.66(15) . . . . ?
Si1 Si2 C26 C31 -137.00(12) . . . . ?
C31 C26 C27 C28 -2.2(2) . . . . ?
Si2 C26 C27 C28 179.37(12) . . . . ?
C26 C27 C28 C29 1.6(2) . . . . ?
C27 C28 C29 C30 0.3(3) . . . . ?
C28 C29 C30 C31 -1.5(3) . . . . ?
C29 C30 C31 C26 0.8(3) . . . . ?
C27 C26 C31 C30 1.0(3) . . . . ?
Si2 C26 C31 C30 179.48(15) . . . . ?
N1 Si2 C32 C33 -106.34(13) . . . . ?
C1 Si2 C32 C33 155.76(12) . . . . ?
C26 Si2 C32 C33 26.11(15) . . . . ?
Si1 Si2 C32 C33 -153.28(11) . . . . ?
N1 Si2 C32 C37 70.23(14) . . . . ?
C1 Si2 C32 C37 -27.67(14) . . . . ?
C26 Si2 C32 C37 -157.32(12) . . . . ?
Si1 Si2 C32 C37 23.29(14) . . . . ?
C37 C32 C33 C34 -0.5(2) . . . . ?
Si2 C32 C33 C34 176.10(12) . . . . ?
C32 C33 C34 C35 -0.3(2) . . . . ?
C33 C34 C35 C36 0.6(2) . . . . ?
C34 C35 C36 C37 -0.2(3) . . . . ?
C35 C36 C37 C32 -0.6(3) . . . . ?
C33 C32 C37 C36 1.0(2) . . . . ?
Si2 C32 C37 C36 -175.78(12) . . . . ?


#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.





#==============================================================================
#     End of CIF
#==============================================================================
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Ni5(CNtBu)5(NtBu)(CCNtBu)(SiPh2)4
_database_code_depnum_ccdc_archive 'CCDC 2120739'
loop_
_audit_author_name
_audit_author_address
'Yusuke Sunada'
;The University of Tokyo
Japan
;
_audit_update_record             
;
2021-11-08 deposited with the CCDC.	2022-03-14 downloaded from the CCDC.
;

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C83 H103 N7 Ni5 Si4'
_chemical_formula_moiety         'C83 H103 N7 Ni5 Si4'
_chemical_formula_weight         1604.62
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_space_group_crystal_system      triclinic
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
_space_group_IT_number           2
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -X,-Y,-Z
#------------------------------------------------------------------------------
_cell_length_a                   13.9645(4)
_cell_length_b                   14.7686(3)
_cell_length_c                   24.4091(5)
_cell_angle_alpha                89.5959(19)
_cell_angle_beta                 79.412(2)
_cell_angle_gamma                63.052(3)
_cell_volume                     4394.3(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    28076
_cell_measurement_theta_min      1.96
_cell_measurement_theta_max      31.28
_cell_measurement_temperature    113
#------------------------------------------------------------------------------
_exptl_crystal_description       platelet
_exptl_crystal_colour            darkred
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.010
_exptl_crystal_density_diffrn    1.213
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1692.00
_exptl_absorpt_coefficient_mu    1.149
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.93a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_correction_T_min  0.882
_exptl_absorpt_correction_T_max  0.989

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      113
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku Saturn724'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 28.626
_diffrn_reflns_number            83661
_diffrn_reflns_av_unetI/netI     0.0927
_diffrn_reflns_av_R_equivalents  0.0676
_diffrn_reflns_theta_max         31.204
_diffrn_reflns_theta_min         1.678
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.898
_diffrn_measured_fraction_theta_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.898
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.898
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_limit_l_max       34
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?
_reflns_number_total             25607
_reflns_number_gt                15666
_reflns_threshold_expression     F²>2.0σ(F²)
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_all          0.1147
_refine_ls_R_factor_gt           0.0591
_refine_ls_wR_factor_ref         0.1462
_refine_ls_wR_factor_gt          0.1246
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         25607
_refine_ls_number_parameters     886
_refine_ls_goodness_of_fit_ref   0.981
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.0707P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.001
_refine_diff_density_max         0.82
_refine_diff_density_min         -0.43
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Ni Ni 0.3393 1.1124
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Si Si 0.0817 0.0704
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ni1 Ni 0.71526(3) 0.67216(3) 0.32618(2) 0.02358(10) Uani 1 1 d . . . . .
Ni2 Ni 0.70568(3) 0.81006(3) 0.26213(2) 0.02629(10) Uani 1 1 d . . . . .
Ni3 Ni 0.64033(3) 0.68168(3) 0.23767(2) 0.02017(9) Uani 1 1 d . . . . .
Ni4 Ni 0.58556(3) 0.59855(3) 0.17150(2) 0.02152(9) Uani 1 1 d . . . . .
Ni5 Ni 0.78953(3) 0.51846(3) 0.18846(2) 0.02401(10) Uani 1 1 d . . . . .
Si1 Si 0.56558(7) 0.86202(6) 0.36208(4) 0.02346(18) Uani 1 1 d . . . . .
Si2 Si 0.76467(7) 0.51998(6) 0.28227(3) 0.02249(18) Uani 1 1 d . . . . .
Si3 Si 0.73238(7) 0.75876(7) 0.17012(4) 0.0271(2) Uani 1 1 d . . . . .
Si4 Si 0.41767(7) 0.70660(6) 0.21140(3) 0.02086(17) Uani 1 1 d . . . . .
N1 N 0.7702(2) 0.5574(2) 0.42308(12) 0.0348(7) Uani 1 1 d . . . . .
N2 N 0.7058(2) 0.80924(19) 0.34365(11) 0.0266(6) Uani 1 1 d . . . . .
N3 N 0.8232(3) 0.9238(2) 0.21684(16) 0.0515(9) Uani 1 1 d . . . . .
N4 N 0.4017(2) 0.81114(18) 0.25451(10) 0.0223(5) Uani 1 1 d . . . . .
N5 N 0.5070(2) 0.4504(2) 0.15003(12) 0.0309(6) Uani 1 1 d . . . . .
N6 N 0.7242(2) 0.56776(19) 0.12478(10) 0.0242(6) Uani 1 1 d . . . . .
N7 N 0.9863(2) 0.3212(2) 0.15767(12) 0.0418(8) Uani 1 1 d . . . . .
C1 C 0.5031(3) 0.8214(2) 0.42683(13) 0.0248(7) Uani 1 1 d . . . . .
C2 C 0.4701(3) 0.7476(2) 0.42058(14) 0.0293(7) Uani 1 1 d . . . . .
H2 H 0.478281 0.720223 0.384833 0.035 Uiso 1 1 calc R U . . .
C3 C 0.4248(3) 0.7133(3) 0.46664(15) 0.0383(8) Uani 1 1 d . . . . .
H3 H 0.401950 0.664376 0.461561 0.046 Uiso 1 1 calc R U . . .
C4 C 0.4141(3) 0.7525(3) 0.51983(15) 0.0416(9) Uani 1 1 d . . . . .
H4 H 0.384625 0.729301 0.550712 0.050 Uiso 1 1 calc R U . . .
C5 C 0.4465(3) 0.8251(3) 0.52732(15) 0.0399(9) Uani 1 1 d . . . . .
H5 H 0.439433 0.851105 0.563256 0.048 Uiso 1 1 calc R U . . .
C6 C 0.4898(3) 0.8599(3) 0.48163(13) 0.0329(8) Uani 1 1 d . . . . .
H6 H 0.510708 0.910019 0.487233 0.040 Uiso 1 1 calc R U . . .
C7 C 0.4877(3) 1.0057(2) 0.36515(13) 0.0259(7) Uani 1 1 d . . . . .
C8 C 0.3926(3) 1.0637(2) 0.40472(14) 0.0280(7) Uani 1 1 d . . . . .
H8 H 0.368436 1.031700 0.432868 0.034 Uiso 1 1 calc R U . . .
C9 C 0.3329(3) 1.1688(3) 0.40309(15) 0.0339(8) Uani 1 1 d . . . . .
H9 H 0.269828 1.206172 0.430030 0.041 Uiso 1 1 calc R U . . .
C10 C 0.3676(3) 1.2174(3) 0.36151(16) 0.0358(8) Uani 1 1 d . . . . .
H10 H 0.328401 1.287580 0.360528 0.043 Uiso 1 1 calc R U . . .
C11 C 0.4606(3) 1.1612(3) 0.32137(15) 0.0361(8) Uani 1 1 d . . . . .
H11 H 0.483537 1.193471 0.292864 0.043 Uiso 1 1 calc R U . . .
C12 C 0.5195(3) 1.0579(3) 0.32335(15) 0.0330(8) Uani 1 1 d . . . . .
H12 H 0.582509 1.021429 0.296170 0.040 Uiso 1 1 calc R U . . .
C13 C 0.6729(2) 0.4582(2) 0.30738(12) 0.0231(6) Uani 1 1 d . . . . .
C14 C 0.6056(3) 0.4849(2) 0.36012(13) 0.0281(7) Uani 1 1 d . . . . .
H14 H 0.601906 0.537325 0.382698 0.034 Uiso 1 1 calc R U . . .
C15 C 0.5431(3) 0.4355(3) 0.38035(15) 0.0346(8) Uani 1 1 d . . . . .
H15 H 0.498984 0.454684 0.415988 0.042 Uiso 1 1 calc R U . . .
C16 C 0.5473(3) 0.3589(3) 0.34739(15) 0.0361(8) Uani 1 1 d . . . . .
H16 H 0.506443 0.325179 0.360641 0.043 Uiso 1 1 calc R U . . .
C17 C 0.6116(3) 0.3319(3) 0.29497(15) 0.0373(8) Uani 1 1 d . . . . .
H17 H 0.614056 0.279937 0.272573 0.045 Uiso 1 1 calc R U . . .
C18 C 0.6729(3) 0.3809(3) 0.27486(14) 0.0330(8) Uani 1 1 d . . . . .
H18 H 0.715173 0.362006 0.238790 0.040 Uiso 1 1 calc R U . . .
C19 C 0.9030(3) 0.4247(2) 0.29855(13) 0.0290(7) Uani 1 1 d . . . . .
C20 C 0.9246(3) 0.3273(3) 0.31365(15) 0.0363(8) Uani 1 1 d . . . . .
H20 H 0.869172 0.307861 0.317913 0.044 Uiso 1 1 calc R U . . .
C21 C 1.0276(3) 0.2585(3) 0.32250(19) 0.0523(11) Uani 1 1 d . . . . .
H21 H 1.040195 0.193772 0.332511 0.063 Uiso 1 1 calc R U . . .
C22 C 1.1109(3) 0.2852(3) 0.3166(2) 0.0609(13) Uani 1 1 d . . . . .
H22 H 1.179749 0.238887 0.322347 0.073 Uiso 1 1 calc R U . . .
C23 C 1.0915(3) 0.3815(3) 0.3020(2) 0.0560(12) Uani 1 1 d . . . . .
H23 H 1.147121 0.400629 0.298226 0.067 Uiso 1 1 calc R U . . .
C24 C 0.9886(3) 0.4497(3) 0.29303(16) 0.0398(9) Uani 1 1 d . . . . .
H24 H 0.976772 0.514277 0.282987 0.048 Uiso 1 1 calc R U . . .
C25 C 0.6537(3) 0.8708(3) 0.13094(14) 0.0327(8) Uani 1 1 d . . . . .
C26 C 0.5689(3) 0.9596(3) 0.16047(16) 0.0359(8) Uani 1 1 d . . . . .
H26 H 0.552478 0.962637 0.199310 0.043 Uiso 1 1 calc R U . . .
C27 C 0.5080(3) 1.0439(3) 0.13376(18) 0.0449(10) Uani 1 1 d . . . . .
H27 H 0.451499 1.102161 0.154602 0.054 Uiso 1 1 calc R U . . .
C28 C 0.5316(4) 1.0409(3) 0.07660(19) 0.0519(11) Uani 1 1 d . . . . .
H28 H 0.491898 1.097564 0.058622 0.062 Uiso 1 1 calc R U . . .
C29 C 0.6143(4) 0.9537(3) 0.04561(18) 0.0548(11) Uani 1 1 d . . . . .
H29 H 0.630297 0.951245 0.006779 0.066 Uiso 1 1 calc R U . . .
C30 C 0.6730(3) 0.8705(3) 0.07292(16) 0.0454(10) Uani 1 1 d . . . . .
H30 H 0.727562 0.811677 0.051688 0.054 Uiso 1 1 calc R U . . .
C31 C 0.8849(3) 0.7052(3) 0.14005(13) 0.0307(7) Uani 1 1 d . . . . .
C32 C 0.9297(3) 0.7502(3) 0.10007(16) 0.0439(10) Uani 1 1 d . . . . .
H32 H 0.883254 0.807741 0.084843 0.053 Uiso 1 1 calc R U . . .
C33 C 1.0422(3) 0.7112(3) 0.08245(18) 0.0507(11) Uani 1 1 d . . . . .
H33 H 1.070527 0.742371 0.055551 0.061 Uiso 1 1 calc R U . . .
C34 C 1.1120(3) 0.6263(3) 0.10478(16) 0.0427(10) Uani 1 1 d . . . . .
H34 H 1.187574 0.600414 0.093297 0.051 Uiso 1 1 calc R U . . .
C35 C 1.0700(3) 0.5803(3) 0.14371(16) 0.0426(9) Uani 1 1 d . . . . .
H35 H 1.116931 0.522406 0.158487 0.051 Uiso 1 1 calc R U . . .
C36 C 0.9569(3) 0.6200(3) 0.16142(14) 0.0351(8) Uani 1 1 d . . . . .
H36 H 0.929189 0.588293 0.188286 0.042 Uiso 1 1 calc R U . . .
C37 C 0.3239(2) 0.6579(2) 0.25060(13) 0.0243(6) Uani 1 1 d . . . . .
C38 C 0.2274(3) 0.6671(3) 0.23659(14) 0.0302(7) Uani 1 1 d . . . . .
H38 H 0.205961 0.699441 0.204932 0.036 Uiso 1 1 calc R U . . .
C39 C 0.1627(3) 0.6294(3) 0.26860(16) 0.0378(9) Uani 1 1 d . . . . .
H39 H 0.099451 0.635585 0.258057 0.045 Uiso 1 1 calc R U . . .
C40 C 0.1928(3) 0.5829(3) 0.31603(17) 0.0434(9) Uani 1 1 d . . . . .
H40 H 0.148323 0.559828 0.338427 0.052 Uiso 1 1 calc R U . . .
C41 C 0.2880(3) 0.5706(3) 0.33024(16) 0.0416(9) Uani 1 1 d . . . . .
H41 H 0.309004 0.537934 0.361869 0.050 Uiso 1 1 calc R U . . .
C42 C 0.3530(3) 0.6068(3) 0.29764(14) 0.0320(8) Uani 1 1 d . . . . .
H42 H 0.418235 0.596673 0.307454 0.038 Uiso 1 1 calc R U . . .
C43 C 0.3773(2) 0.7581(2) 0.14373(13) 0.0262(7) Uani 1 1 d . . . . .
C44 C 0.3428(3) 0.7113(3) 0.10769(14) 0.0332(8) Uani 1 1 d . . . . .
H44 H 0.331176 0.656163 0.118827 0.040 Uiso 1 1 calc R U . . .
C45 C 0.3255(3) 0.7456(3) 0.05550(16) 0.0478(10) Uani 1 1 d . . . . .
H45 H 0.301133 0.714027 0.032559 0.057 Uiso 1 1 calc R U . . .
C46 C 0.3439(4) 0.8256(4) 0.03743(17) 0.0561(12) Uani 1 1 d . . . . .
H46 H 0.332442 0.847951 0.002387 0.067 Uiso 1 1 calc R U . . .
C47 C 0.3798(4) 0.8727(3) 0.07179(17) 0.0495(10) Uani 1 1 d . . . . .
H47 H 0.392821 0.926802 0.059904 0.059 Uiso 1 1 calc R U . . .
C48 C 0.3963(3) 0.8386(3) 0.12426(14) 0.0343(8) Uani 1 1 d . . . . .
H48 H 0.420777 0.870541 0.146956 0.041 Uiso 1 1 calc R U . . .
C49 C 0.7510(3) 0.5998(2) 0.38323(13) 0.0273(7) Uani 1 1 d . . . . .
C50 C 0.7955(3) 0.5032(3) 0.47246(15) 0.0395(9) Uani 1 1 d . . . . .
C51 C 0.9201(3) 0.4395(3) 0.46108(19) 0.0584(12) Uani 1 1 d . . . . .
H51A H 0.941376 0.401859 0.492685 0.070 Uiso 1 1 calc R U . . .
H51B H 0.943372 0.392992 0.428480 0.070 Uiso 1 1 calc R U . . .
H51C H 0.953766 0.483755 0.454927 0.070 Uiso 1 1 calc R U . . .
C52 C 0.7385(4) 0.4376(4) 0.4799(2) 0.0704(15) Uani 1 1 d . . . . .
H52A H 0.754077 0.400972 0.512446 0.085 Uiso 1 1 calc R U . . .
H52B H 0.660759 0.479829 0.484547 0.085 Uiso 1 1 calc R U . . .
H52C H 0.764033 0.390116 0.447538 0.085 Uiso 1 1 calc R U . . .
C53 C 0.7570(5) 0.5806(3) 0.52163(17) 0.0742(16) Uani 1 1 d . . . . .
H53A H 0.773029 0.546196 0.554797 0.089 Uiso 1 1 calc R U . . .
H53B H 0.794109 0.621969 0.515072 0.089 Uiso 1 1 calc R U . . .
H53C H 0.679341 0.623133 0.526408 0.089 Uiso 1 1 calc R U . . .
C54 C 0.7835(3) 0.8241(3) 0.37195(16) 0.0370(8) Uani 1 1 d . . . . .
C55 C 0.8997(3) 0.7515(3) 0.34200(18) 0.0477(10) Uani 1 1 d . . . . .
H55A H 0.951212 0.760092 0.359809 0.057 Uiso 1 1 calc R U . . .
H55B H 0.910852 0.682526 0.343696 0.057 Uiso 1 1 calc R U . . .
H55C H 0.910229 0.766113 0.303613 0.057 Uiso 1 1 calc R U . . .
C56 C 0.7666(3) 0.9326(3) 0.3701(2) 0.0543(12) Uani 1 1 d . . . . .
H56A H 0.817622 0.940563 0.388633 0.065 Uiso 1 1 calc R U . . .
H56B H 0.778364 0.947674 0.331850 0.065 Uiso 1 1 calc R U . . .
H56C H 0.693026 0.978551 0.388617 0.065 Uiso 1 1 calc R U . . .
C57 C 0.7665(4) 0.8032(4) 0.43319(17) 0.0568(12) Uani 1 1 d . . . . .
H57A H 0.817467 0.813200 0.450739 0.068 Uiso 1 1 calc R U . . .
H57B H 0.692894 0.848948 0.451745 0.068 Uiso 1 1 calc R U . . .
H57C H 0.778313 0.734081 0.435714 0.068 Uiso 1 1 calc R U . . .
C58 C 0.7788(3) 0.8765(3) 0.23375(16) 0.0368(8) Uani 1 1 d . . . . .
C59 C 0.8788(3) 0.9854(3) 0.2000(2) 0.0581(13) Uani 1 1 d . . . . .
C60 C 0.8581(6) 1.0166(6) 0.1359(3) 0.0430(18) Uiso 0.5 1 d . . P . .
C61 C 1.0031(8) 0.9054(7) 0.1954(4) 0.048(2) Uiso 0.5 1 d . . P . .
C62 C 0.8367(7) 1.0745(7) 0.2353(4) 0.050(2) Uiso 0.5 1 d . . P . .
C63 C 0.8758(8) 1.0461(8) 0.2629(4) 0.061(2) Uiso 0.5 1 d . . P . .
C64 C 0.7984(14) 1.0733(13) 0.1829(7) 0.131(5) Uiso 0.5 1 d . . P . .
C65 C 0.9948(8) 0.9284(8) 0.1768(4) 0.052(3) Uiso 0.5 1 d . . P . .
C66 C 0.5602(2) 0.8011(2) 0.29766(12) 0.0220(6) Uani 1 1 d . . . . .
C67 C 0.4987(2) 0.7865(2) 0.26816(12) 0.0217(6) Uani 1 1 d . . . . .
C68 C 0.3016(2) 0.9068(2) 0.28142(14) 0.0289(7) Uani 1 1 d . . . . .
C69 C 0.3224(3) 0.9985(2) 0.26799(16) 0.0365(8) Uani 1 1 d . . . . .
H69A H 0.258957 1.059955 0.284957 0.044 Uiso 1 1 calc R U . . .
H69B H 0.384626 0.991597 0.282397 0.044 Uiso 1 1 calc R U . . .
H69C H 0.336569 1.001456 0.228186 0.044 Uiso 1 1 calc R U . . .
C70 C 0.2776(3) 0.9002(3) 0.34420(14) 0.0382(9) Uani 1 1 d . . . . .
H70A H 0.213717 0.961235 0.361303 0.046 Uiso 1 1 calc R U . . .
H70B H 0.264708 0.842326 0.351601 0.046 Uiso 1 1 calc R U . . .
H70C H 0.339187 0.892998 0.359365 0.046 Uiso 1 1 calc R U . . .
C71 C 0.2045(3) 0.9174(3) 0.25715(16) 0.0388(9) Uani 1 1 d . . . . .
H71A H 0.140287 0.978242 0.274112 0.047 Uiso 1 1 calc R U . . .
H71B H 0.219920 0.921406 0.217478 0.047 Uiso 1 1 calc R U . . .
H71C H 0.192077 0.859252 0.264535 0.047 Uiso 1 1 calc R U . . .
C72 C 0.5368(3) 0.5098(3) 0.15678(13) 0.0279(7) Uani 1 1 d . . . . .
C73 C 0.4789(3) 0.3680(3) 0.14474(16) 0.0371(8) Uani 1 1 d . . . . .
C74 C 0.4261(4) 0.3808(4) 0.0945(2) 0.0630(13) Uani 1 1 d . . . . .
H74A H 0.407156 0.326643 0.090650 0.076 Uiso 1 1 calc R U . . .
H74B H 0.361044 0.445149 0.099583 0.076 Uiso 1 1 calc R U . . .
H74C H 0.476618 0.378822 0.061482 0.076 Uiso 1 1 calc R U . . .
C75 C 0.5854(3) 0.2697(3) 0.13682(19) 0.0511(11) Uani 1 1 d . . . . .
H75A H 0.570703 0.212795 0.133112 0.061 Uiso 1 1 calc R U . . .
H75B H 0.634434 0.269930 0.103669 0.061 Uiso 1 1 calc R U . . .
H75C H 0.618556 0.264210 0.168646 0.061 Uiso 1 1 calc R U . . .
C76 C 0.4000(4) 0.3743(3) 0.19839(19) 0.0556(11) Uani 1 1 d . . . . .
H76A H 0.379791 0.320525 0.196189 0.067 Uiso 1 1 calc R U . . .
H76B H 0.434994 0.367189 0.229661 0.067 Uiso 1 1 calc R U . . .
H76C H 0.335516 0.438996 0.203172 0.067 Uiso 1 1 calc R U . . .
C77 C 0.6994(2) 0.6497(2) 0.15866(12) 0.0230(6) Uani 1 1 d . . . . .
C78 C 0.7597(3) 0.5457(3) 0.06326(13) 0.0337(8) Uani 1 1 d . . . . .
C79 C 0.7726(3) 0.4392(3) 0.05105(16) 0.0444(10) Uani 1 1 d . . . . .
H79A H 0.795700 0.420558 0.011472 0.053 Uiso 1 1 calc R U . . .
H79B H 0.826674 0.391216 0.069909 0.053 Uiso 1 1 calc R U . . .
H79C H 0.703713 0.438657 0.064074 0.053 Uiso 1 1 calc R U . . .
C80 C 0.6705(3) 0.6227(3) 0.03637(14) 0.0425(9) Uani 1 1 d . . . . .
H80A H 0.692334 0.609354 -0.003580 0.051 Uiso 1 1 calc R U . . .
H80B H 0.603868 0.617629 0.048740 0.051 Uiso 1 1 calc R U . . .
H80C H 0.658508 0.690128 0.046848 0.051 Uiso 1 1 calc R U . . .
C81 C 0.8672(3) 0.5480(3) 0.04315(14) 0.0404(9) Uani 1 1 d . . . . .
H81A H 0.888540 0.533563 0.003250 0.049 Uiso 1 1 calc R U . . .
H81B H 0.859034 0.614333 0.052985 0.049 Uiso 1 1 calc R U . . .
H81C H 0.922490 0.497668 0.060414 0.049 Uiso 1 1 calc R U . . .
C82 C 0.9055(3) 0.3948(3) 0.17239(14) 0.0332(8) Uani 1 1 d . . . . .
C83 C 1.0923(3) 0.2378(3) 0.13426(18) 0.0549(12) Uani 1 1 d . . . . .
C84 C 1.0811(7) 0.2133(7) 0.0695(4) 0.055(2) Uiso 0.5 1 d . . P . .
C85 C 1.1742(9) 0.2702(8) 0.1298(5) 0.069(3) Uiso 0.5 1 d . . P . .
C86 C 1.1105(8) 0.1469(8) 0.1674(4) 0.052(3) Uiso 0.5 1 d . . P . .
C87 C 1.1811(9) 0.2580(9) 0.1658(5) 0.076(3) Uiso 0.5 1 d . . P . .
C88 C 1.0949(9) 0.1379(8) 0.1502(5) 0.059(3) Uiso 0.5 1 d . . P . .
C89 C 1.1297(10) 0.2557(9) 0.0751(5) 0.088(3) Uiso 0.5 1 d . . P . .


#==============================================================================
_computing_data_collection       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_structure_solution    'SHELXT Version 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL Version 2017/1 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.3 (Rigaku, 2019)'
_computing_molecular_graphics    'CrystalStructure 4.3'

#==============================================================================
# MOLECULAR GEOMETRY

_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ni1 C49 1.755(3) . ?
Ni1 N2 2.012(3) . ?
Ni1 Si2 2.2435(9) . ?
Ni1 C66 2.366(3) . ?
Ni1 Ni2 2.5289(6) . ?
Ni1 Ni3 2.5447(5) . ?
Ni1 Si1 2.6548(9) . ?
Ni2 C58 1.767(4) . ?
Ni2 N2 1.990(3) . ?
Ni2 C66 2.119(3) . ?
Ni2 Si3 2.2842(10) . ?
Ni2 Ni3 2.5630(6) . ?
Ni2 Si1 2.6981(9) . ?
Ni3 C67 1.887(3) . ?
Ni3 C77 1.923(3) . ?
Ni3 C66 2.038(3) . ?
Ni3 Ni4 2.4564(5) . ?
Ni3 Ni5 2.4826(5) . ?
Ni3 Si3 2.4876(9) . ?
Ni3 Si2 2.6082(9) . ?
Ni4 C72 1.793(4) . ?
Ni4 N6 1.911(2) . ?
Ni4 C77 2.025(3) . ?
Ni4 Si4 2.1871(9) . ?
Ni4 Ni5 2.6563(5) . ?
Ni5 C82 1.792(3) . ?
Ni5 N6 1.919(3) . ?
Ni5 C77 1.994(3) . ?
Ni5 Si2 2.2506(9) . ?
Si1 N2 1.715(3) . ?
Si1 C66 1.847(3) . ?
Si1 C7 1.890(3) . ?
Si1 C1 1.890(3) . ?
Si2 C13 1.900(3) . ?
Si2 C19 1.918(3) . ?
Si3 C25 1.891(3) . ?
Si3 C77 1.899(3) . ?
Si3 C31 1.900(3) . ?
Si4 N4 1.779(3) . ?
Si4 C37 1.879(3) . ?
Si4 C43 1.887(3) . ?
N1 C49 1.160(4) . ?
N1 C50 1.451(4) . ?
N2 C54 1.481(4) . ?
N3 C58 1.158(4) . ?
N3 C59 1.454(5) . ?
N4 C67 1.340(4) . ?
N4 C68 1.506(4) . ?
N5 C72 1.152(4) . ?
N5 C73 1.452(4) . ?
N6 C77 1.341(4) . ?
N6 C78 1.481(4) . ?
N7 C82 1.152(4) . ?
N7 C83 1.443(4) . ?
C1 C2 1.381(4) . ?
C1 C6 1.404(4) . ?
C2 C3 1.394(5) . ?
C2 H2 0.9300 . ?
C3 C4 1.379(5) . ?
C3 H3 0.9300 . ?
C4 C5 1.365(5) . ?
C4 H4 0.9300 . ?
C5 C6 1.378(5) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C8 1.392(4) . ?
C7 C12 1.403(5) . ?
C8 C9 1.395(4) . ?
C8 H8 0.9300 . ?
C9 C10 1.379(5) . ?
C9 H9 0.9300 . ?
C10 C11 1.380(5) . ?
C10 H10 0.9300 . ?
C11 C12 1.372(5) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C14 1.387(4) . ?
C13 C18 1.396(4) . ?
C14 C15 1.396(5) . ?
C14 H14 0.9300 . ?
C15 C16 1.367(5) . ?
C15 H15 0.9300 . ?
C16 C17 1.365(5) . ?
C16 H16 0.9300 . ?
C17 C18 1.378(5) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 C24 1.388(5) . ?
C19 C20 1.391(5) . ?
C20 C21 1.391(5) . ?
C20 H20 0.9300 . ?
C21 C22 1.372(6) . ?
C21 H21 0.9300 . ?
C22 C23 1.378(6) . ?
C22 H22 0.9300 . ?
C23 C24 1.388(5) . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
C25 C26 1.390(5) . ?
C25 C30 1.392(5) . ?
C26 C27 1.390(5) . ?
C26 H26 0.9300 . ?
C27 C28 1.369(6) . ?
C27 H27 0.9300 . ?
C28 C29 1.381(6) . ?
C28 H28 0.9300 . ?
C29 C30 1.380(5) . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?
C31 C36 1.379(5) . ?
C31 C32 1.389(5) . ?
C32 C33 1.385(5) . ?
C32 H32 0.9300 . ?
C33 C34 1.378(6) . ?
C33 H33 0.9300 . ?
C34 C35 1.362(5) . ?
C34 H34 0.9300 . ?
C35 C36 1.393(5) . ?
C35 H35 0.9300 . ?
C36 H36 0.9300 . ?
C37 C42 1.391(4) . ?
C37 C38 1.397(4) . ?
C38 C39 1.388(5) . ?
C38 H38 0.9300 . ?
C39 C40 1.377(5) . ?
C39 H39 0.9300 . ?
C40 C41 1.368(5) . ?
C40 H40 0.9300 . ?
C41 C42 1.383(5) . ?
C41 H41 0.9300 . ?
C42 H42 0.9300 . ?
C43 C48 1.394(4) . ?
C43 C44 1.396(5) . ?
C44 C45 1.390(5) . ?
C44 H44 0.9300 . ?
C45 C46 1.372(6) . ?
C45 H45 0.9300 . ?
C46 C47 1.385(6) . ?
C46 H46 0.9300 . ?
C47 C48 1.393(5) . ?
C47 H47 0.9300 . ?
C48 H48 0.9300 . ?
C50 C52 1.499(6) . ?
C50 C53 1.504(5) . ?
C50 C51 1.527(6) . ?
C51 H51A 0.9600 . ?
C51 H51B 0.9600 . ?
C51 H51C 0.9600 . ?
C52 H52A 0.9600 . ?
C52 H52B 0.9600 . ?
C52 H52C 0.9600 . ?
C53 H53A 0.9600 . ?
C53 H53B 0.9600 . ?
C53 H53C 0.9600 . ?
C54 C56 1.512(5) . ?
C54 C55 1.522(5) . ?
C54 C57 1.522(5) . ?
C55 H55A 0.9600 . ?
C55 H55B 0.9600 . ?
C55 H55C 0.9600 . ?
C56 H56A 0.9600 . ?
C56 H56B 0.9600 . ?
C56 H56C 0.9600 . ?
C57 H57A 0.9600 . ?
C57 H57B 0.9600 . ?
C57 H57C 0.9600 . ?
C59 C62 1.395(9) . ?
C59 C64 1.402(17) . ?
C59 C65 1.445(11) . ?
C59 C61 1.579(10) . ?
C59 C60 1.668(9) . ?
C59 C63 1.767(11) . ?
C60 C64 1.320(17) . ?
C61 C65 0.563(13) . ?
C62 C63 0.923(11) . ?
C62 C64 1.478(18) . ?
C66 C67 1.304(4) . ?
C68 C70 1.519(5) . ?
C68 C71 1.521(5) . ?
C68 C69 1.530(5) . ?
C69 H69A 0.9600 . ?
C69 H69B 0.9600 . ?
C69 H69C 0.9600 . ?
C70 H70A 0.9600 . ?
C70 H70B 0.9600 . ?
C70 H70C 0.9600 . ?
C71 H71A 0.9600 . ?
C71 H71B 0.9600 . ?
C71 H71C 0.9600 . ?
C73 C74 1.511(5) . ?
C73 C75 1.516(5) . ?
C73 C76 1.522(6) . ?
C74 H74A 0.9600 . ?
C74 H74B 0.9600 . ?
C74 H74C 0.9600 . ?
C75 H75A 0.9600 . ?
C75 H75B 0.9600 . ?
C75 H75C 0.9600 . ?
C76 H76A 0.9600 . ?
C76 H76B 0.9600 . ?
C76 H76C 0.9600 . ?
C78 C81 1.508(5) . ?
C78 C80 1.511(5) . ?
C78 C79 1.525(5) . ?
C79 H79A 0.9600 . ?
C79 H79B 0.9600 . ?
C79 H79C 0.9600 . ?
C80 H80A 0.9600 . ?
C80 H80B 0.9600 . ?
C80 H80C 0.9600 . ?
C81 H81A 0.9600 . ?
C81 H81B 0.9600 . ?
C81 H81C 0.9600 . ?
C83 C85 1.413(11) . ?
C83 C89 1.506(13) . ?
C83 C86 1.508(11) . ?
C83 C88 1.510(12) . ?
C83 C84 1.674(10) . ?
C83 C87 1.704(12) . ?
C84 C89 1.136(13) . ?
C85 C87 0.909(13) . ?
C85 C89 1.625(16) . ?
C86 C88 0.550(14) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C49 Ni1 N2 108.01(13) . . ?
C49 Ni1 Si2 83.07(10) . . ?
N2 Ni1 Si2 161.21(8) . . ?
C49 Ni1 C66 140.39(13) . . ?
N2 Ni1 C66 70.53(10) . . ?
Si2 Ni1 C66 110.88(8) . . ?
C49 Ni1 Ni2 155.55(11) . . ?
N2 Ni1 Ni2 50.43(8) . . ?
Si2 Ni1 Ni2 114.84(3) . . ?
C66 Ni1 Ni2 51.18(7) . . ?
C49 Ni1 Ni3 143.49(11) . . ?
N2 Ni1 Ni3 107.36(8) . . ?
Si2 Ni1 Ni3 65.66(3) . . ?
C66 Ni1 Ni3 48.87(7) . . ?
Ni2 Ni1 Ni3 60.684(16) . . ?
C49 Ni1 Si1 110.17(10) . . ?
N2 Ni1 Si1 40.25(8) . . ?
Si2 Ni1 Si1 150.62(3) . . ?
C66 Ni1 Si1 42.69(7) . . ?
Ni2 Ni1 Si1 62.68(2) . . ?
Ni3 Ni1 Si1 91.31(2) . . ?
C58 Ni2 N2 106.63(14) . . ?
C58 Ni2 C66 153.15(14) . . ?
N2 Ni2 C66 76.43(11) . . ?
C58 Ni2 Si3 82.49(12) . . ?
N2 Ni2 Si3 162.55(8) . . ?
C66 Ni2 Si3 102.34(9) . . ?
C58 Ni2 Ni1 142.18(13) . . ?
N2 Ni2 Ni1 51.19(7) . . ?
C66 Ni2 Ni1 60.44(8) . . ?
Si3 Ni2 Ni1 112.74(3) . . ?
C58 Ni2 Ni3 143.73(12) . . ?
N2 Ni2 Ni3 107.38(7) . . ?
C66 Ni2 Ni3 50.52(8) . . ?
Si3 Ni2 Ni3 61.44(3) . . ?
Ni1 Ni2 Ni3 59.963(15) . . ?
C58 Ni2 Si1 124.93(12) . . ?
N2 Ni2 Si1 39.41(8) . . ?
C66 Ni2 Si1 43.03(8) . . ?
Si3 Ni2 Si1 144.85(3) . . ?
Ni1 Ni2 Si1 60.95(2) . . ?
Ni3 Ni2 Si1 89.94(2) . . ?
C67 Ni3 C77 123.54(13) . . ?
C67 Ni3 C66 38.56(12) . . ?
C77 Ni3 C66 142.06(12) . . ?
C67 Ni3 Ni4 97.03(10) . . ?
C77 Ni3 Ni4 53.42(9) . . ?
C66 Ni3 Ni4 135.49(9) . . ?
C67 Ni3 Ni5 160.91(9) . . ?
C77 Ni3 Ni5 51.96(9) . . ?
C66 Ni3 Ni5 157.87(9) . . ?
Ni4 Ni3 Ni5 65.069(16) . . ?
C67 Ni3 Si3 106.88(9) . . ?
C77 Ni3 Si3 48.98(9) . . ?
C66 Ni3 Si3 98.15(9) . . ?
Ni4 Ni3 Si3 99.19(3) . . ?
Ni5 Ni3 Si3 83.60(3) . . ?
C67 Ni3 Ni1 95.24(9) . . ?
C77 Ni3 Ni1 136.71(9) . . ?
C66 Ni3 Ni1 60.99(9) . . ?
Ni4 Ni3 Ni1 147.67(2) . . ?
Ni5 Ni3 Ni1 97.196(18) . . ?
Si3 Ni3 Ni1 105.65(3) . . ?
C67 Ni3 Ni2 84.79(9) . . ?
C77 Ni3 Ni2 102.17(9) . . ?
C66 Ni3 Ni2 53.39(8) . . ?
Ni4 Ni3 Ni2 151.57(2) . . ?
Ni5 Ni3 Ni2 114.040(19) . . ?
Si3 Ni3 Ni2 53.75(2) . . ?
Ni1 Ni3 Ni2 59.353(16) . . ?
C67 Ni3 Si2 129.34(9) . . ?
C77 Ni3 Si2 104.15(9) . . ?
C66 Ni3 Si2 109.00(9) . . ?
Ni4 Ni3 Si2 98.47(2) . . ?
Ni5 Ni3 Si2 52.40(2) . . ?
Si3 Ni3 Si2 117.64(3) . . ?
Ni1 Ni3 Si2 51.60(2) . . ?
Ni2 Ni3 Si2 102.19(2) . . ?
C72 Ni4 N6 112.20(13) . . ?
C72 Ni4 C77 151.89(13) . . ?
N6 Ni4 C77 39.71(11) . . ?
C72 Ni4 Si4 88.91(10) . . ?
N6 Ni4 Si4 151.39(8) . . ?
C77 Ni4 Si4 117.70(9) . . ?
C72 Ni4 Ni3 149.98(10) . . ?
N6 Ni4 Ni3 85.12(8) . . ?
C77 Ni4 Ni3 49.69(8) . . ?
Si4 Ni4 Ni3 85.14(3) . . ?
C72 Ni4 Ni5 116.23(10) . . ?
N6 Ni4 Ni5 46.21(8) . . ?
C77 Ni4 Ni5 48.14(8) . . ?
Si4 Ni4 Ni5 141.04(3) . . ?
Ni3 Ni4 Ni5 57.942(15) . . ?
C82 Ni5 N6 111.99(13) . . ?
C82 Ni5 C77 145.70(14) . . ?
N6 Ni5 C77 40.03(11) . . ?
C82 Ni5 Si2 97.42(11) . . ?
N6 Ni5 Si2 147.04(8) . . ?
C77 Ni5 Si2 115.82(9) . . ?
C82 Ni5 Ni3 163.74(11) . . ?
N6 Ni5 Ni3 84.24(8) . . ?
C77 Ni5 Ni3 49.41(8) . . ?
Si2 Ni5 Ni3 66.67(3) . . ?
C82 Ni5 Ni4 133.93(12) . . ?
N6 Ni5 Ni4 45.98(7) . . ?
C77 Ni5 Ni4 49.13(9) . . ?
Si2 Ni5 Ni4 102.57(3) . . ?
Ni3 Ni5 Ni4 56.988(15) . . ?
N2 Si1 C66 91.06(13) . . ?
N2 Si1 C7 116.41(14) . . ?
C66 Si1 C7 111.58(14) . . ?
N2 Si1 C1 118.39(14) . . ?
C66 Si1 C1 111.46(14) . . ?
C7 Si1 C1 107.14(14) . . ?
N2 Si1 Ni1 49.27(9) . . ?
C66 Si1 Ni1 60.28(9) . . ?
C7 Si1 Ni1 159.77(10) . . ?
C1 Si1 Ni1 93.03(10) . . ?
N2 Si1 Ni2 47.43(9) . . ?
C66 Si1 Ni2 51.53(9) . . ?
C7 Si1 Ni2 103.64(10) . . ?
C1 Si1 Ni2 148.96(10) . . ?
Ni1 Si1 Ni2 56.38(2) . . ?
C13 Si2 C19 102.89(14) . . ?
C13 Si2 Ni1 115.80(10) . . ?
C19 Si2 Ni1 108.10(10) . . ?
C13 Si2 Ni5 108.62(10) . . ?
C19 Si2 Ni5 106.33(10) . . ?
Ni1 Si2 Ni5 114.10(4) . . ?
C13 Si2 Ni3 104.15(9) . . ?
C19 Si2 Ni3 152.69(11) . . ?
Ni1 Si2 Ni3 62.74(2) . . ?
Ni5 Si2 Ni3 60.93(2) . . ?
C25 Si3 C77 111.05(15) . . ?
C25 Si3 C31 109.28(15) . . ?
C77 Si3 C31 104.90(14) . . ?
C25 Si3 Ni2 110.43(12) . . ?
C77 Si3 Ni2 113.94(10) . . ?
C31 Si3 Ni2 106.94(11) . . ?
C25 Si3 Ni3 122.48(11) . . ?
C77 Si3 Ni3 49.82(9) . . ?
C31 Si3 Ni3 127.40(12) . . ?
Ni2 Si3 Ni3 64.81(3) . . ?
N4 Si4 C37 106.38(13) . . ?
N4 Si4 C43 106.66(13) . . ?
C37 Si4 C43 112.28(14) . . ?
N4 Si4 Ni4 116.53(9) . . ?
C37 Si4 Ni4 119.62(10) . . ?
C43 Si4 Ni4 94.29(10) . . ?
C49 N1 C50 179.3(4) . . ?
C54 N2 Si1 129.2(2) . . ?
C54 N2 Ni2 126.9(2) . . ?
Si1 N2 Ni2 93.16(12) . . ?
C54 N2 Ni1 123.8(2) . . ?
Si1 N2 Ni1 90.48(12) . . ?
Ni2 N2 Ni1 78.38(9) . . ?
C58 N3 C59 175.6(4) . . ?
C67 N4 C68 120.1(2) . . ?
C67 N4 Si4 107.58(19) . . ?
C68 N4 Si4 131.7(2) . . ?
C72 N5 C73 173.6(3) . . ?
C77 N6 C78 132.0(3) . . ?
C77 N6 Ni4 74.72(17) . . ?
C78 N6 Ni4 129.5(2) . . ?
C77 N6 Ni5 73.02(17) . . ?
C78 N6 Ni5 136.2(2) . . ?
Ni4 N6 Ni5 87.81(10) . . ?
C82 N7 C83 172.0(4) . . ?
C2 C1 C6 117.1(3) . . ?
C2 C1 Si1 118.6(2) . . ?
C6 C1 Si1 124.3(3) . . ?
C1 C2 C3 121.5(3) . . ?
C1 C2 H2 119.3 . . ?
C3 C2 H2 119.3 . . ?
C4 C3 C2 119.5(3) . . ?
C4 C3 H3 120.2 . . ?
C2 C3 H3 120.2 . . ?
C5 C4 C3 120.3(3) . . ?
C5 C4 H4 119.9 . . ?
C3 C4 H4 119.9 . . ?
C4 C5 C6 120.0(3) . . ?
C4 C5 H5 120.0 . . ?
C6 C5 H5 120.0 . . ?
C5 C6 C1 121.6(3) . . ?
C5 C6 H6 119.2 . . ?
C1 C6 H6 119.2 . . ?
C8 C7 C12 116.7(3) . . ?
C8 C7 Si1 123.2(2) . . ?
C12 C7 Si1 119.8(2) . . ?
C7 C8 C9 121.5(3) . . ?
C7 C8 H8 119.3 . . ?
C9 C8 H8 119.3 . . ?
C10 C9 C8 120.0(3) . . ?
C10 C9 H9 120.0 . . ?
C8 C9 H9 120.0 . . ?
C9 C10 C11 119.6(3) . . ?
C9 C10 H10 120.2 . . ?
C11 C10 H10 120.2 . . ?
C12 C11 C10 120.2(3) . . ?
C12 C11 H11 119.9 . . ?
C10 C11 H11 119.9 . . ?
C11 C12 C7 122.0(3) . . ?
C11 C12 H12 119.0 . . ?
C7 C12 H12 119.0 . . ?
C14 C13 C18 116.4(3) . . ?
C14 C13 Si2 121.5(2) . . ?
C18 C13 Si2 122.0(2) . . ?
C13 C14 C15 122.0(3) . . ?
C13 C14 H14 119.0 . . ?
C15 C14 H14 119.0 . . ?
C16 C15 C14 119.5(3) . . ?
C16 C15 H15 120.2 . . ?
C14 C15 H15 120.2 . . ?
C17 C16 C15 119.8(3) . . ?
C17 C16 H16 120.1 . . ?
C15 C16 H16 120.1 . . ?
C16 C17 C18 120.8(3) . . ?
C16 C17 H17 119.6 . . ?
C18 C17 H17 119.6 . . ?
C17 C18 C13 121.5(3) . . ?
C17 C18 H18 119.2 . . ?
C13 C18 H18 119.2 . . ?
C24 C19 C20 116.9(3) . . ?
C24 C19 Si2 120.2(3) . . ?
C20 C19 Si2 122.9(3) . . ?
C19 C20 C21 121.3(4) . . ?
C19 C20 H20 119.4 . . ?
C21 C20 H20 119.4 . . ?
C22 C21 C20 120.6(4) . . ?
C22 C21 H21 119.7 . . ?
C20 C21 H21 119.7 . . ?
C21 C22 C23 119.4(4) . . ?
C21 C22 H22 120.3 . . ?
C23 C22 H22 120.3 . . ?
C22 C23 C24 119.8(4) . . ?
C22 C23 H23 120.1 . . ?
C24 C23 H23 120.1 . . ?
C19 C24 C23 122.1(4) . . ?
C19 C24 H24 118.9 . . ?
C23 C24 H24 118.9 . . ?
C26 C25 C30 116.1(3) . . ?
C26 C25 Si3 119.7(3) . . ?
C30 C25 Si3 124.1(3) . . ?
C27 C26 C25 122.1(4) . . ?
C27 C26 H26 119.0 . . ?
C25 C26 H26 119.0 . . ?
C28 C27 C26 119.7(4) . . ?
C28 C27 H27 120.2 . . ?
C26 C27 H27 120.2 . . ?
C27 C28 C29 120.1(4) . . ?
C27 C28 H28 119.9 . . ?
C29 C28 H28 119.9 . . ?
C30 C29 C28 119.2(4) . . ?
C30 C29 H29 120.4 . . ?
C28 C29 H29 120.4 . . ?
C29 C30 C25 122.7(4) . . ?
C29 C30 H30 118.7 . . ?
C25 C30 H30 118.7 . . ?
C36 C31 C32 117.4(3) . . ?
C36 C31 Si3 118.5(2) . . ?
C32 C31 Si3 124.0(3) . . ?
C33 C32 C31 121.3(4) . . ?
C33 C32 H32 119.4 . . ?
C31 C32 H32 119.4 . . ?
C34 C33 C32 120.0(4) . . ?
C34 C33 H33 120.0 . . ?
C32 C33 H33 120.0 . . ?
C35 C34 C33 119.7(3) . . ?
C35 C34 H34 120.1 . . ?
C33 C34 H34 120.1 . . ?
C34 C35 C36 120.0(4) . . ?
C34 C35 H35 120.0 . . ?
C36 C35 H35 120.0 . . ?
C31 C36 C35 121.5(3) . . ?
C31 C36 H36 119.2 . . ?
C35 C36 H36 119.2 . . ?
C42 C37 C38 116.4(3) . . ?
C42 C37 Si4 117.5(2) . . ?
C38 C37 Si4 126.1(2) . . ?
C39 C38 C37 121.9(3) . . ?
C39 C38 H38 119.1 . . ?
C37 C38 H38 119.1 . . ?
C40 C39 C38 119.5(3) . . ?
C40 C39 H39 120.2 . . ?
C38 C39 H39 120.2 . . ?
C41 C40 C39 120.0(3) . . ?
C41 C40 H40 120.0 . . ?
C39 C40 H40 120.0 . . ?
C40 C41 C42 120.1(4) . . ?
C40 C41 H41 120.0 . . ?
C42 C41 H41 120.0 . . ?
C41 C42 C37 122.0(3) . . ?
C41 C42 H42 119.0 . . ?
C37 C42 H42 119.0 . . ?
C48 C43 C44 116.9(3) . . ?
C48 C43 Si4 119.1(2) . . ?
C44 C43 Si4 123.4(2) . . ?
C45 C44 C43 121.3(3) . . ?
C45 C44 H44 119.4 . . ?
C43 C44 H44 119.4 . . ?
C46 C45 C44 120.8(4) . . ?
C46 C45 H45 119.6 . . ?
C44 C45 H45 119.6 . . ?
C45 C46 C47 119.4(4) . . ?
C45 C46 H46 120.3 . . ?
C47 C46 H46 120.3 . . ?
C46 C47 C48 119.7(4) . . ?
C46 C47 H47 120.2 . . ?
C48 C47 H47 120.2 . . ?
C47 C48 C43 121.9(3) . . ?
C47 C48 H48 119.0 . . ?
C43 C48 H48 119.0 . . ?
N1 C49 Ni1 175.8(3) . . ?
N1 C50 C52 108.0(3) . . ?
N1 C50 C53 108.2(3) . . ?
C52 C50 C53 111.8(4) . . ?
N1 C50 C51 106.0(3) . . ?
C52 C50 C51 111.8(4) . . ?
C53 C50 C51 110.7(4) . . ?
C50 C51 H51A 109.5 . . ?
C50 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C50 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C50 C52 H52A 109.5 . . ?
C50 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C50 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C50 C53 H53A 109.5 . . ?
C50 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C50 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
N2 C54 C56 110.9(3) . . ?
N2 C54 C55 108.3(3) . . ?
C56 C54 C55 109.4(3) . . ?
N2 C54 C57 110.8(3) . . ?
C56 C54 C57 107.5(3) . . ?
C55 C54 C57 110.0(3) . . ?
C54 C55 H55A 109.5 . . ?
C54 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
C54 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C54 C56 H56A 109.5 . . ?
C54 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C54 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C54 C57 H57A 109.5 . . ?
C54 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
C54 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
N3 C58 Ni2 176.8(3) . . ?
C62 C59 C64 63.8(8) . . ?
C62 C59 C65 121.4(6) . . ?
C64 C59 C65 130.0(9) . . ?
C62 C59 N3 112.5(5) . . ?
C64 C59 N3 104.0(7) . . ?
C65 C59 N3 115.1(5) . . ?
C62 C59 C61 118.3(6) . . ?
C64 C59 C61 150.2(8) . . ?
C65 C59 C61 20.9(5) . . ?
N3 C59 C61 101.9(4) . . ?
C62 C59 C60 108.9(5) . . ?
C64 C59 C60 50.0(7) . . ?
C65 C59 C60 88.7(6) . . ?
N3 C59 C60 106.0(4) . . ?
C61 C59 C60 108.4(5) . . ?
C62 C59 C63 31.2(5) . . ?
C64 C59 C63 95.0(8) . . ?
C65 C59 C63 102.9(6) . . ?
N3 C59 C63 105.3(5) . . ?
C61 C59 C63 92.1(5) . . ?
C60 C59 C63 137.7(5) . . ?
C64 C60 C59 54.4(8) . . ?
C65 C61 C59 66.1(16) . . ?
C63 C62 C59 97.2(10) . . ?
C63 C62 C64 155.5(13) . . ?
C59 C62 C64 58.3(8) . . ?
C62 C63 C59 51.6(8) . . ?
C60 C64 C59 75.6(10) . . ?
C60 C64 C62 126.4(14) . . ?
C59 C64 C62 57.9(8) . . ?
C61 C65 C59 93.1(18) . . ?
C67 C66 Si1 146.7(2) . . ?
C67 C66 Ni3 64.46(17) . . ?
Si1 C66 Ni3 146.38(17) . . ?
C67 C66 Ni2 123.6(2) . . ?
Si1 C66 Ni2 85.43(12) . . ?
Ni3 C66 Ni2 76.10(10) . . ?
C67 C66 Ni1 125.9(2) . . ?
Si1 C66 Ni1 77.03(11) . . ?
Ni3 C66 Ni1 70.14(9) . . ?
Ni2 C66 Ni1 68.38(9) . . ?
C66 C67 N4 152.2(3) . . ?
C66 C67 Ni3 76.98(19) . . ?
N4 C67 Ni3 130.8(2) . . ?
N4 C68 C70 109.6(3) . . ?
N4 C68 C71 109.0(3) . . ?
C70 C68 C71 109.6(3) . . ?
N4 C68 C69 108.8(3) . . ?
C70 C68 C69 111.0(3) . . ?
C71 C68 C69 108.9(3) . . ?
C68 C69 H69A 109.5 . . ?
C68 C69 H69B 109.5 . . ?
H69A C69 H69B 109.5 . . ?
C68 C69 H69C 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
C68 C70 H70A 109.5 . . ?
C68 C70 H70B 109.5 . . ?
H70A C70 H70B 109.5 . . ?
C68 C70 H70C 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
C68 C71 H71A 109.5 . . ?
C68 C71 H71B 109.5 . . ?
H71A C71 H71B 109.5 . . ?
C68 C71 H71C 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
N5 C72 Ni4 176.2(3) . . ?
N5 C73 C74 108.8(3) . . ?
N5 C73 C75 106.5(3) . . ?
C74 C73 C75 110.9(3) . . ?
N5 C73 C76 107.5(3) . . ?
C74 C73 C76 111.1(4) . . ?
C75 C73 C76 111.8(3) . . ?
C73 C74 H74A 109.5 . . ?
C73 C74 H74B 109.5 . . ?
H74A C74 H74B 109.5 . . ?
C73 C74 H74C 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
C73 C75 H75A 109.5 . . ?
C73 C75 H75B 109.5 . . ?
H75A C75 H75B 109.5 . . ?
C73 C75 H75C 109.5 . . ?
H75A C75 H75C 109.5 . . ?
H75B C75 H75C 109.5 . . ?
C73 C76 H76A 109.5 . . ?
C73 C76 H76B 109.5 . . ?
H76A C76 H76B 109.5 . . ?
C73 C76 H76C 109.5 . . ?
H76A C76 H76C 109.5 . . ?
H76B C76 H76C 109.5 . . ?
N6 C77 Si3 144.9(2) . . ?
N6 C77 Ni3 131.1(2) . . ?
Si3 C77 Ni3 81.20(12) . . ?
N6 C77 Ni5 66.95(16) . . ?
Si3 C77 Ni5 116.58(16) . . ?
Ni3 C77 Ni5 78.63(11) . . ?
N6 C77 Ni4 65.58(16) . . ?
Si3 C77 Ni4 147.18(16) . . ?
Ni3 C77 Ni4 76.90(11) . . ?
Ni5 C77 Ni4 82.73(11) . . ?
N6 C78 C81 110.9(3) . . ?
N6 C78 C80 108.5(3) . . ?
C81 C78 C80 111.3(3) . . ?
N6 C78 C79 105.7(3) . . ?
C81 C78 C79 110.3(3) . . ?
C80 C78 C79 110.0(3) . . ?
C78 C79 H79A 109.5 . . ?
C78 C79 H79B 109.5 . . ?
H79A C79 H79B 109.5 . . ?
C78 C79 H79C 109.5 . . ?
H79A C79 H79C 109.5 . . ?
H79B C79 H79C 109.5 . . ?
C78 C80 H80A 109.5 . . ?
C78 C80 H80B 109.5 . . ?
H80A C80 H80B 109.5 . . ?
C78 C80 H80C 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
C78 C81 H81A 109.5 . . ?
C78 C81 H81B 109.5 . . ?
H81A C81 H81B 109.5 . . ?
C78 C81 H81C 109.5 . . ?
H81A C81 H81C 109.5 . . ?
H81B C81 H81C 109.5 . . ?
N7 C82 Ni5 171.4(3) . . ?
C85 C83 N7 110.1(5) . . ?
C85 C83 C89 67.6(7) . . ?
N7 C83 C89 109.4(6) . . ?
C85 C83 C86 115.3(7) . . ?
N7 C83 C86 109.2(5) . . ?
C89 C83 C86 136.7(7) . . ?
C85 C83 C88 130.3(7) . . ?
N7 C83 C88 109.9(5) . . ?
C89 C83 C88 122.9(7) . . ?
C86 C83 C88 21.0(5) . . ?
C85 C83 C84 108.1(6) . . ?
N7 C83 C84 103.5(4) . . ?
C89 C83 C84 41.5(5) . . ?
C86 C83 C84 110.0(6) . . ?
C88 C83 C84 89.9(6) . . ?
C85 C83 C87 32.2(5) . . ?
N7 C83 C87 104.3(5) . . ?
C89 C83 C87 99.4(7) . . ?
C86 C83 C87 89.3(6) . . ?
C88 C83 C87 108.9(7) . . ?
C84 C83 C87 138.3(6) . . ?
C89 C84 C83 61.3(8) . . ?
C87 C85 C83 91.8(12) . . ?
C87 C85 C89 149.7(15) . . ?
C83 C85 C89 58.9(6) . . ?
C88 C86 C83 79.7(19) . . ?
C85 C87 C83 56.0(10) . . ?
C86 C88 C83 79.3(19) . . ?
C84 C89 C83 77.2(9) . . ?
C84 C89 C85 129.2(12) . . ?
C83 C89 C85 53.5(6) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C66 Si1 N2 C54 175.6(3) . . . . ?
C7 Si1 N2 C54 60.8(3) . . . . ?
C1 Si1 N2 C54 -69.2(3) . . . . ?
Ni1 Si1 N2 C54 -136.5(3) . . . . ?
Ni2 Si1 N2 C54 145.2(3) . . . . ?
C66 Si1 N2 Ni2 30.48(13) . . . . ?
C7 Si1 N2 Ni2 -84.35(14) . . . . ?
C1 Si1 N2 Ni2 145.69(12) . . . . ?
Ni1 Si1 N2 Ni2 78.39(10) . . . . ?
C66 Si1 N2 Ni1 -47.91(12) . . . . ?
C7 Si1 N2 Ni1 -162.74(12) . . . . ?
C1 Si1 N2 Ni1 67.30(15) . . . . ?
Ni2 Si1 N2 Ni1 -78.39(10) . . . . ?
C37 Si4 N4 C67 117.1(2) . . . . ?
C43 Si4 N4 C67 -122.8(2) . . . . ?
Ni4 Si4 N4 C67 -19.1(2) . . . . ?
C37 Si4 N4 C68 -53.9(3) . . . . ?
C43 Si4 N4 C68 66.2(3) . . . . ?
Ni4 Si4 N4 C68 169.9(2) . . . . ?
N2 Si1 C1 C2 -98.3(3) . . . . ?
C66 Si1 C1 C2 5.3(3) . . . . ?
C7 Si1 C1 C2 127.7(3) . . . . ?
Ni1 Si1 C1 C2 -53.8(3) . . . . ?
Ni2 Si1 C1 C2 -44.6(4) . . . . ?
N2 Si1 C1 C6 80.4(3) . . . . ?
C66 Si1 C1 C6 -176.1(3) . . . . ?
C7 Si1 C1 C6 -53.7(3) . . . . ?
Ni1 Si1 C1 C6 124.8(3) . . . . ?
Ni2 Si1 C1 C6 134.0(2) . . . . ?
C6 C1 C2 C3 0.4(5) . . . . ?
Si1 C1 C2 C3 179.1(3) . . . . ?
C1 C2 C3 C4 -1.0(5) . . . . ?
C2 C3 C4 C5 0.7(5) . . . . ?
C3 C4 C5 C6 0.3(6) . . . . ?
C4 C5 C6 C1 -0.9(5) . . . . ?
C2 C1 C6 C5 0.5(5) . . . . ?
Si1 C1 C6 C5 -178.1(3) . . . . ?
N2 Si1 C7 C8 -143.6(3) . . . . ?
C66 Si1 C7 C8 113.8(3) . . . . ?
C1 Si1 C7 C8 -8.5(3) . . . . ?
Ni1 Si1 C7 C8 175.83(19) . . . . ?
Ni2 Si1 C7 C8 167.4(2) . . . . ?
N2 Si1 C7 C12 42.0(3) . . . . ?
C66 Si1 C7 C12 -60.6(3) . . . . ?
C1 Si1 C7 C12 177.2(3) . . . . ?
Ni1 Si1 C7 C12 1.5(5) . . . . ?
Ni2 Si1 C7 C12 -6.9(3) . . . . ?
C12 C7 C8 C9 -0.7(5) . . . . ?
Si1 C7 C8 C9 -175.2(2) . . . . ?
C7 C8 C9 C10 0.2(5) . . . . ?
C8 C9 C10 C11 0.7(5) . . . . ?
C9 C10 C11 C12 -1.2(5) . . . . ?
C10 C11 C12 C7 0.7(5) . . . . ?
C8 C7 C12 C11 0.2(5) . . . . ?
Si1 C7 C12 C11 174.9(3) . . . . ?
C18 C13 C14 C15 1.6(5) . . . . ?
Si2 C13 C14 C15 -175.8(3) . . . . ?
C13 C14 C15 C16 -0.4(5) . . . . ?
C14 C15 C16 C17 -0.5(5) . . . . ?
C15 C16 C17 C18 0.3(6) . . . . ?
C16 C17 C18 C13 1.0(6) . . . . ?
C14 C13 C18 C17 -1.9(5) . . . . ?
Si2 C13 C18 C17 175.5(3) . . . . ?
C24 C19 C20 C21 -0.3(5) . . . . ?
Si2 C19 C20 C21 176.8(3) . . . . ?
C19 C20 C21 C22 0.1(6) . . . . ?
C20 C21 C22 C23 0.3(7) . . . . ?
C21 C22 C23 C24 -0.6(7) . . . . ?
C20 C19 C24 C23 0.0(5) . . . . ?
Si2 C19 C24 C23 -177.2(3) . . . . ?
C22 C23 C24 C19 0.4(7) . . . . ?
C77 Si3 C25 C26 109.6(3) . . . . ?
C31 Si3 C25 C26 -135.2(3) . . . . ?
Ni2 Si3 C25 C26 -17.8(3) . . . . ?
Ni3 Si3 C25 C26 54.7(3) . . . . ?
C77 Si3 C25 C30 -68.7(3) . . . . ?
C31 Si3 C25 C30 46.5(4) . . . . ?
Ni2 Si3 C25 C30 163.9(3) . . . . ?
Ni3 Si3 C25 C30 -123.7(3) . . . . ?
C30 C25 C26 C27 -1.1(5) . . . . ?
Si3 C25 C26 C27 -179.6(3) . . . . ?
C25 C26 C27 C28 -0.4(6) . . . . ?
C26 C27 C28 C29 1.1(6) . . . . ?
C27 C28 C29 C30 -0.4(6) . . . . ?
C28 C29 C30 C25 -1.2(7) . . . . ?
C26 C25 C30 C29 1.9(6) . . . . ?
Si3 C25 C30 C29 -179.7(3) . . . . ?
C25 Si3 C31 C36 -177.4(3) . . . . ?
C77 Si3 C31 C36 -58.3(3) . . . . ?
Ni2 Si3 C31 C36 63.0(3) . . . . ?
Ni3 Si3 C31 C36 -7.9(3) . . . . ?
C25 Si3 C31 C32 6.9(4) . . . . ?
C77 Si3 C31 C32 126.0(3) . . . . ?
Ni2 Si3 C31 C32 -112.7(3) . . . . ?
Ni3 Si3 C31 C32 176.4(3) . . . . ?
C36 C31 C32 C33 -0.1(6) . . . . ?
Si3 C31 C32 C33 175.7(3) . . . . ?
C31 C32 C33 C34 -0.2(6) . . . . ?
C32 C33 C34 C35 0.7(6) . . . . ?
C33 C34 C35 C36 -0.9(6) . . . . ?
C32 C31 C36 C35 -0.1(5) . . . . ?
Si3 C31 C36 C35 -176.1(3) . . . . ?
C34 C35 C36 C31 0.6(6) . . . . ?
N4 Si4 C37 C42 -71.3(3) . . . . ?
C43 Si4 C37 C42 172.3(2) . . . . ?
Ni4 Si4 C37 C42 63.3(3) . . . . ?
N4 Si4 C37 C38 109.5(3) . . . . ?
C43 Si4 C37 C38 -6.9(3) . . . . ?
Ni4 Si4 C37 C38 -115.9(3) . . . . ?
C42 C37 C38 C39 1.5(5) . . . . ?
Si4 C37 C38 C39 -179.3(3) . . . . ?
C37 C38 C39 C40 1.0(5) . . . . ?
C38 C39 C40 C41 -2.4(6) . . . . ?
C39 C40 C41 C42 1.3(6) . . . . ?
C40 C41 C42 C37 1.3(6) . . . . ?
C38 C37 C42 C41 -2.6(5) . . . . ?
Si4 C37 C42 C41 178.1(3) . . . . ?
N4 Si4 C43 C48 31.8(3) . . . . ?
C37 Si4 C43 C48 148.0(3) . . . . ?
Ni4 Si4 C43 C48 -87.5(3) . . . . ?
N4 Si4 C43 C44 -157.2(3) . . . . ?
C37 Si4 C43 C44 -41.1(3) . . . . ?
Ni4 Si4 C43 C44 83.4(3) . . . . ?
C48 C43 C44 C45 -1.7(5) . . . . ?
Si4 C43 C44 C45 -172.8(3) . . . . ?
C43 C44 C45 C46 1.3(6) . . . . ?
C44 C45 C46 C47 -0.2(7) . . . . ?
C45 C46 C47 C48 -0.2(7) . . . . ?
C46 C47 C48 C43 -0.3(6) . . . . ?
C44 C43 C48 C47 1.3(5) . . . . ?
Si4 C43 C48 C47 172.8(3) . . . . ?
Si1 N2 C54 C56 -65.7(4) . . . . ?
Ni2 N2 C54 C56 68.8(4) . . . . ?
Ni1 N2 C54 C56 170.2(3) . . . . ?
Si1 N2 C54 C55 174.2(3) . . . . ?
Ni2 N2 C54 C55 -51.2(4) . . . . ?
Ni1 N2 C54 C55 50.2(4) . . . . ?
Si1 N2 C54 C57 53.6(4) . . . . ?
Ni2 N2 C54 C57 -171.9(3) . . . . ?
Ni1 N2 C54 C57 -70.5(4) . . . . ?
C62 C59 C60 C64 -26.2(10) . . . . ?
C65 C59 C60 C64 -149.1(10) . . . . ?
N3 C59 C60 C64 95.1(10) . . . . ?
C61 C59 C60 C64 -156.1(10) . . . . ?
C63 C59 C60 C64 -41.2(12) . . . . ?
C62 C59 C61 C65 -104.6(18) . . . . ?
C64 C59 C61 C65 -19(3) . . . . ?
N3 C59 C61 C65 131.5(18) . . . . ?
C60 C59 C61 C65 20.0(19) . . . . ?
C63 C59 C61 C65 -122.4(18) . . . . ?
C64 C59 C62 C63 177.5(13) . . . . ?
C65 C59 C62 C63 -59.9(12) . . . . ?
N3 C59 C62 C63 82.5(10) . . . . ?
C61 C59 C62 C63 -36.0(12) . . . . ?
C60 C59 C62 C63 -160.4(9) . . . . ?
C65 C59 C62 C64 122.6(10) . . . . ?
N3 C59 C62 C64 -95.1(9) . . . . ?
C61 C59 C62 C64 146.5(10) . . . . ?
C60 C59 C62 C64 22.1(9) . . . . ?
C63 C59 C62 C64 -177.5(13) . . . . ?
C64 C62 C63 C59 5(3) . . . . ?
C64 C59 C63 C62 -2.2(12) . . . . ?
C65 C59 C63 C62 130.8(10) . . . . ?
N3 C59 C63 C62 -108.3(10) . . . . ?
C61 C59 C63 C62 148.8(10) . . . . ?
C60 C59 C63 C62 28.2(13) . . . . ?
C59 C60 C64 C62 29.3(11) . . . . ?
C62 C59 C64 C60 152.3(11) . . . . ?
C65 C59 C64 C60 42.0(13) . . . . ?
N3 C59 C64 C60 -99.2(8) . . . . ?
C61 C59 C64 C60 51(2) . . . . ?
C63 C59 C64 C60 153.6(7) . . . . ?
C65 C59 C64 C62 -110.2(10) . . . . ?
N3 C59 C64 C62 108.5(6) . . . . ?
C61 C59 C64 C62 -101.7(17) . . . . ?
C60 C59 C64 C62 -152.3(11) . . . . ?
C63 C59 C64 C62 1.3(7) . . . . ?
C63 C62 C64 C60 -40(4) . . . . ?
C59 C62 C64 C60 -34.0(13) . . . . ?
C63 C62 C64 C59 -6(3) . . . . ?
C62 C59 C65 C61 87.4(19) . . . . ?
C64 C59 C65 C61 168.1(18) . . . . ?
N3 C59 C65 C61 -54.0(19) . . . . ?
C60 C59 C65 C61 -161.1(18) . . . . ?
C63 C59 C65 C61 60.0(18) . . . . ?
N2 Si1 C66 C67 178.5(4) . . . . ?
C7 Si1 C66 C67 -62.4(5) . . . . ?
C1 Si1 C66 C67 57.3(5) . . . . ?
Ni1 Si1 C66 C67 138.2(5) . . . . ?
Ni2 Si1 C66 C67 -153.0(5) . . . . ?
N2 Si1 C66 Ni3 27.8(3) . . . . ?
C7 Si1 C66 Ni3 146.8(3) . . . . ?
C1 Si1 C66 Ni3 -93.5(3) . . . . ?
Ni1 Si1 C66 Ni3 -12.6(2) . . . . ?
Ni2 Si1 C66 Ni3 56.3(3) . . . . ?
N2 Si1 C66 Ni2 -28.50(12) . . . . ?
C7 Si1 C66 Ni2 90.56(14) . . . . ?
C1 Si1 C66 Ni2 -149.71(12) . . . . ?
Ni1 Si1 C66 Ni2 -68.85(7) . . . . ?
N2 Si1 C66 Ni1 40.35(11) . . . . ?
C7 Si1 C66 Ni1 159.41(11) . . . . ?
C1 Si1 C66 Ni1 -80.86(13) . . . . ?
Ni2 Si1 C66 Ni1 68.85(7) . . . . ?
Si1 C66 C67 N4 19.0(9) . . . . ?
Ni3 C66 C67 N4 -178.5(7) . . . . ?
Ni2 C66 C67 N4 -128.1(5) . . . . ?
Ni1 C66 C67 N4 145.6(5) . . . . ?
Si1 C66 C67 Ni3 -162.6(4) . . . . ?
Ni2 C66 C67 Ni3 50.4(2) . . . . ?
Ni1 C66 C67 Ni3 -35.9(2) . . . . ?
C68 N4 C67 C66 5.1(8) . . . . ?
Si4 N4 C67 C66 -167.2(6) . . . . ?
C68 N4 C67 Ni3 -173.0(2) . . . . ?
Si4 N4 C67 Ni3 14.8(3) . . . . ?
C77 Ni3 C67 C66 -133.34(19) . . . . ?
Ni4 Ni3 C67 C66 176.36(17) . . . . ?
Ni5 Ni3 C67 C66 156.8(2) . . . . ?
Si3 Ni3 C67 C66 -81.78(18) . . . . ?
Ni1 Ni3 C67 C66 26.33(18) . . . . ?
Ni2 Ni3 C67 C66 -32.18(17) . . . . ?
Si2 Ni3 C67 C66 69.3(2) . . . . ?
C77 Ni3 C67 N4 45.7(3) . . . . ?
C66 Ni3 C67 N4 179.1(4) . . . . ?
Ni4 Ni3 C67 N4 -4.6(3) . . . . ?
Ni5 Ni3 C67 N4 -24.1(5) . . . . ?
Si3 Ni3 C67 N4 97.3(3) . . . . ?
Ni1 Ni3 C67 N4 -154.6(3) . . . . ?
Ni2 Ni3 C67 N4 146.9(3) . . . . ?
Si2 Ni3 C67 N4 -111.6(3) . . . . ?
C67 N4 C68 C70 -61.7(4) . . . . ?
Si4 N4 C68 C70 108.4(3) . . . . ?
C67 N4 C68 C71 178.4(3) . . . . ?
Si4 N4 C68 C71 -11.6(4) . . . . ?
C67 N4 C68 C69 59.8(4) . . . . ?
Si4 N4 C68 C69 -130.2(3) . . . . ?
C78 N6 C77 Si3 -33.8(6) . . . . ?
Ni4 N6 C77 Si3 -163.7(4) . . . . ?
Ni5 N6 C77 Si3 103.9(4) . . . . ?
C78 N6 C77 Ni3 173.3(3) . . . . ?
Ni4 N6 C77 Ni3 43.4(3) . . . . ?
Ni5 N6 C77 Ni3 -49.0(2) . . . . ?
C78 N6 C77 Ni5 -137.7(3) . . . . ?
Ni4 N6 C77 Ni5 92.41(9) . . . . ?
C78 N6 C77 Ni4 129.9(3) . . . . ?
Ni5 N6 C77 Ni4 -92.41(9) . . . . ?
C25 Si3 C77 N6 85.0(4) . . . . ?
C31 Si3 C77 N6 -33.0(4) . . . . ?
Ni2 Si3 C77 N6 -149.6(4) . . . . ?
Ni3 Si3 C77 N6 -159.7(5) . . . . ?
C25 Si3 C77 Ni3 -115.35(14) . . . . ?
C31 Si3 C77 Ni3 126.72(13) . . . . ?
Ni2 Si3 C77 Ni3 10.11(12) . . . . ?
C25 Si3 C77 Ni5 172.14(15) . . . . ?
C31 Si3 C77 Ni5 54.21(19) . . . . ?
Ni2 Si3 C77 Ni5 -62.40(16) . . . . ?
Ni3 Si3 C77 Ni5 -72.51(13) . . . . ?
C25 Si3 C77 Ni4 -66.9(3) . . . . ?
C31 Si3 C77 Ni4 175.2(3) . . . . ?
Ni2 Si3 C77 Ni4 58.6(3) . . . . ?
Ni3 Si3 C77 Ni4 48.5(2) . . . . ?
C77 N6 C78 C81 61.4(4) . . . . ?
Ni4 N6 C78 C81 167.8(2) . . . . ?
Ni5 N6 C78 C81 -50.3(4) . . . . ?
C77 N6 C78 C80 -61.2(4) . . . . ?
Ni4 N6 C78 C80 45.2(4) . . . . ?
Ni5 N6 C78 C80 -172.9(3) . . . . ?
C77 N6 C78 C79 -179.1(3) . . . . ?
Ni4 N6 C78 C79 -72.7(3) . . . . ?
Ni5 N6 C78 C79 69.2(4) . . . . ?
C85 C83 C84 C89 -12.5(10) . . . . ?
N7 C83 C84 C89 104.2(9) . . . . ?
C86 C83 C84 C89 -139.2(9) . . . . ?
C88 C83 C84 C89 -145.3(9) . . . . ?
C87 C83 C84 C89 -26.4(12) . . . . ?
N7 C83 C85 C87 85.1(12) . . . . ?
C89 C83 C85 C87 -171.5(14) . . . . ?
C86 C83 C85 C87 -39.0(13) . . . . ?
C88 C83 C85 C87 -56.6(15) . . . . ?
C84 C83 C85 C87 -162.6(11) . . . . ?
N7 C83 C85 C89 -103.4(6) . . . . ?
C86 C83 C85 C89 132.5(8) . . . . ?
C88 C83 C85 C89 114.8(9) . . . . ?
C84 C83 C85 C89 8.9(7) . . . . ?
C87 C83 C85 C89 171.5(14) . . . . ?
C85 C83 C86 C88 -139.8(18) . . . . ?
N7 C83 C86 C88 95.7(19) . . . . ?
C89 C83 C86 C88 -56(2) . . . . ?
C84 C83 C86 C88 -17(2) . . . . ?
C87 C83 C86 C88 -159.4(19) . . . . ?
C89 C85 C87 C83 -15(2) . . . . ?
N7 C83 C87 C85 -105.0(11) . . . . ?
C89 C83 C87 C85 8.0(13) . . . . ?
C86 C83 C87 C85 145.3(12) . . . . ?
C88 C83 C87 C85 137.7(12) . . . . ?
C84 C83 C87 C85 25.3(15) . . . . ?
C85 C83 C88 C86 50(2) . . . . ?
N7 C83 C88 C86 -91.9(19) . . . . ?
C89 C83 C88 C86 137.2(18) . . . . ?
C84 C83 C88 C86 163.8(19) . . . . ?
C87 C83 C88 C86 22(2) . . . . ?
C83 C84 C89 C85 13.3(10) . . . . ?
C85 C83 C89 C84 167.2(10) . . . . ?
N7 C83 C89 C84 -88.5(8) . . . . ?
C86 C83 C89 C84 63.5(13) . . . . ?
C88 C83 C89 C84 42.7(11) . . . . ?
C87 C83 C89 C84 162.6(8) . . . . ?
N7 C83 C89 C85 104.3(6) . . . . ?
C86 C83 C89 C85 -103.7(11) . . . . ?
C88 C83 C89 C85 -124.5(8) . . . . ?
C84 C83 C89 C85 -167.2(10) . . . . ?
C87 C83 C89 C85 -4.6(7) . . . . ?
C87 C85 C89 C84 1(4) . . . . ?
C83 C85 C89 C84 -16.3(13) . . . . ?
C87 C85 C89 C83 17(3) . . . . ?


#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.







#==============================================================================
#     End of CIF
#==============================================================================
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Ni2(SiPh2)4C(CNtBu)4(NtBu)
_database_code_depnum_ccdc_archive 'CCDC 2120737'
loop_
_audit_author_name
_audit_author_address
'Yusuke Sunada'
;The University of Tokyo
Japan
;
_audit_update_record             
;
2021-11-08 deposited with the CCDC.	2022-03-14 downloaded from the CCDC.
;

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C73 H85 N5 Ni2 Si4'
_chemical_formula_moiety         'C73 H85 N5 Ni2 Si4'
_chemical_formula_weight         1262.25
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_space_group_crystal_system      triclinic
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
_space_group_IT_number           2
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -X,-Y,-Z
#------------------------------------------------------------------------------
_cell_length_a                   14.392(12)
_cell_length_b                   22.272(19)
_cell_length_c                   22.510(19)
_cell_angle_alpha                97.750(7)
_cell_angle_beta                 95.438(7)
_cell_angle_gamma                102.855(7)
_cell_volume                     6912(10)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    2309
_cell_measurement_theta_min      4.31
_cell_measurement_theta_max      17.82
_cell_measurement_temperature    100
#------------------------------------------------------------------------------
_exptl_crystal_description       block
_exptl_crystal_colour            lightbrown
_exptl_crystal_size_max          0.080
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.060
_exptl_crystal_density_diffrn    1.213
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2680.00
_exptl_absorpt_coefficient_mu    0.000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_absorpt_correction_T_min  0.374
_exptl_absorpt_correction_T_max  1.000

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      100
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.41500
_diffrn_measurement_device_type  'Rigaku R-AXIS IV'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 5.814
_diffrn_reflns_number            282646
_diffrn_reflns_av_unetI/netI     0.1226
_diffrn_reflns_av_R_equivalents  0.1469
_diffrn_reflns_theta_max         22.231
_diffrn_reflns_theta_min         0.949
_diffrn_reflns_theta_full        14.418
_diffrn_measured_fraction_theta_max 0.773
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.773
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.773
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -38
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_limit_l_max       38
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?
_reflns_number_total             67846
_reflns_number_gt                29903
_reflns_threshold_expression     F²>2.0σ(F²)
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_all          0.1753
_refine_ls_R_factor_gt           0.0786
_refine_ls_wR_factor_ref         0.2544
_refine_ls_wR_factor_gt          0.2009
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         67846
_refine_ls_number_parameters     1542
_refine_ls_goodness_of_fit_ref   0.969
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.1152P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.002
_refine_diff_density_max         1.36
_refine_diff_density_min         -1.12
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
N N 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Ni Ni 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Si Si 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ni1 Ni 0.50021(2) 0.68428(2) 0.78836(2) 0.03224(7) Uani 1 1 d . . . . .
Ni2 Ni 0.42053(3) 0.69257(2) 0.69109(2) 0.03625(8) Uani 1 1 d . . . . .
Ni3 Ni 0.93734(3) 0.18490(2) 0.78227(2) 0.03626(8) Uani 1 1 d . . . . .
Ni4 Ni 0.88210(2) 0.28040(2) 0.77444(2) 0.03661(8) Uani 1 1 d . . . . .
Si1 Si 0.68656(6) 0.61580(4) 0.80872(4) 0.03708(16) Uani 1 1 d . . . . .
Si2 Si 0.72334(6) 0.72889(4) 0.80040(4) 0.04100(18) Uani 1 1 d . . . . .
Si3 Si 0.54408(6) 0.63582(4) 0.69742(3) 0.03434(15) Uani 1 1 d . . . . .
Si4 Si 0.29756(6) 0.73408(4) 0.70823(3) 0.04082(17) Uani 1 1 d . . . . .
Si5 Si 1.10420(6) 0.13831(4) 0.69968(3) 0.03611(15) Uani 1 1 d . . . . .
Si6 Si 0.92997(6) 0.11498(4) 0.65997(4) 0.04230(18) Uani 1 1 d . . . . .
Si7 Si 1.01554(6) 0.26217(4) 0.72682(3) 0.03425(15) Uani 1 1 d . . . . .
Si8 Si 0.79822(6) 0.29646(4) 0.84963(4) 0.04203(18) Uani 1 1 d . . . . .
N1 N 0.77458(17) 0.68192(12) 0.84099(13) 0.0437(5) Uani 1 1 d . . . . .
N2 N 0.51795(16) 0.69717(11) 0.92063(10) 0.0364(5) Uani 1 1 d . . . . .
N3 N 0.30976(19) 0.71873(14) 0.78213(11) 0.0460(6) Uani 1 1 d . . . . .
N4 N 0.3070(2) 0.59503(14) 0.59202(12) 0.0530(7) Uani 1 1 d . . . . .
N5 N 0.5267(3) 0.79137(13) 0.63137(12) 0.0571(8) Uani 1 1 d . . . . .
N6 N 1.02066(19) 0.07621(12) 0.65761(11) 0.0425(5) Uani 1 1 d . . . . .
N7 N 0.9662(2) 0.08057(14) 0.84277(15) 0.0606(8) Uani 1 1 d . . . . .
N8 N 0.81098(18) 0.22548(13) 0.87042(11) 0.0431(5) Uani 1 1 d . . . . .
N9 N 0.99023(18) 0.41134(12) 0.78728(11) 0.0414(5) Uani 1 1 d . . . . .
N10 N 0.7296(2) 0.26199(17) 0.66993(13) 0.0617(8) Uani 1 1 d . . . . .
C1 C 0.7309(2) 0.55724(14) 0.75887(14) 0.0416(6) Uani 1 1 d . . . . .
C2 C 0.7260(2) 0.49742(15) 0.76935(15) 0.0466(7) Uani 1 1 d . . . . .
H2 H 0.701632 0.485414 0.803868 0.056 Uiso 1 1 calc R U . . .
C3 C 0.7561(3) 0.45471(16) 0.73055(16) 0.0545(8) Uani 1 1 d . . . . .
H3 H 0.753027 0.414796 0.739468 0.065 Uiso 1 1 calc R U . . .
C4 C 0.7900(2) 0.47055(17) 0.67940(17) 0.0545(8) Uani 1 1 d . . . . .
H4 H 0.810134 0.441593 0.653014 0.065 Uiso 1 1 calc R U . . .
C5 C 0.7945(2) 0.52877(17) 0.66684(17) 0.0531(8) Uani 1 1 d . . . . .
H5 H 0.816829 0.539698 0.631397 0.064 Uiso 1 1 calc R U . . .
C6 C 0.7661(2) 0.57197(15) 0.70658(16) 0.0478(7) Uani 1 1 d . . . . .
H6 H 0.770865 0.612079 0.697779 0.057 Uiso 1 1 calc R U . . .
C7 C 0.6226(2) 0.56833(13) 0.86094(13) 0.0393(6) Uani 1 1 d . . . . .
C8 C 0.5236(2) 0.55117(13) 0.85227(13) 0.0407(6) Uani 1 1 d . . . . .
H8 H 0.490482 0.567686 0.823533 0.049 Uiso 1 1 calc R U . . .
C9 C 0.4728(3) 0.51075(15) 0.88449(14) 0.0471(7) Uani 1 1 d . . . . .
H9 H 0.406004 0.499500 0.877264 0.056 Uiso 1 1 calc R U . . .
C10 C 0.5205(3) 0.48684(16) 0.92748(15) 0.0560(9) Uani 1 1 d . . . . .
H10 H 0.486097 0.459379 0.949742 0.067 Uiso 1 1 calc R U . . .
C11 C 0.6170(3) 0.50299(15) 0.93762(15) 0.0549(8) Uani 1 1 d . . . . .
H11 H 0.649087 0.486675 0.967021 0.066 Uiso 1 1 calc R U . . .
C12 C 0.6689(3) 0.54350(15) 0.90486(14) 0.0476(7) Uani 1 1 d . . . . .
H12 H 0.735653 0.554243 0.912338 0.057 Uiso 1 1 calc R U . . .
C13 C 0.8068(3) 0.76550(15) 0.7501(2) 0.0601(10) Uani 1 1 d . . . . .
C14 C 0.8762(3) 0.73716(18) 0.7295(2) 0.0742(14) Uani 1 1 d . . . . .
H14 H 0.884099 0.701027 0.743651 0.089 Uiso 1 1 calc R U . . .
C15 C 0.9336(4) 0.7604(2) 0.6891(3) 0.111(2) Uani 1 1 d . . . . .
H15 H 0.981255 0.741060 0.677163 0.133 Uiso 1 1 calc R U . . .
C16 C 0.9212(5) 0.8117(2) 0.6662(4) 0.147(4) Uani 1 1 d . . . . .
H16 H 0.959415 0.826913 0.637892 0.176 Uiso 1 1 calc R U . . .
C17 C 0.8517(5) 0.8417(2) 0.6849(3) 0.119(3) Uani 1 1 d . . . . .
H17 H 0.842390 0.876680 0.668986 0.143 Uiso 1 1 calc R U . . .
C18 C 0.7972(4) 0.81910(17) 0.7270(2) 0.0804(15) Uani 1 1 d . . . . .
H18 H 0.752162 0.840047 0.740606 0.096 Uiso 1 1 calc R U . . .
C19 C 0.6899(2) 0.79609(13) 0.84460(15) 0.0423(6) Uani 1 1 d . . . . .
C20 C 0.7284(2) 0.82055(16) 0.90410(16) 0.0492(7) Uani 1 1 d . . . . .
H20 H 0.772115 0.802186 0.923543 0.059 Uiso 1 1 calc R U . . .
C21 C 0.7041(3) 0.87080(17) 0.93499(18) 0.0565(8) Uani 1 1 d . . . . .
H21 H 0.732092 0.886507 0.974612 0.068 Uiso 1 1 calc R U . . .
C22 C 0.6400(3) 0.89758(16) 0.90832(18) 0.0566(8) Uani 1 1 d . . . . .
H22 H 0.622521 0.931269 0.929544 0.068 Uiso 1 1 calc R U . . .
C23 C 0.6006(3) 0.87482(17) 0.84956(18) 0.0560(8) Uani 1 1 d . . . . .
H23 H 0.557206 0.893754 0.830616 0.067 Uiso 1 1 calc R U . . .
C24 C 0.6246(2) 0.82448(15) 0.81855(16) 0.0469(7) Uani 1 1 d . . . . .
H24 H 0.596061 0.809136 0.778978 0.056 Uiso 1 1 calc R U . . .
C25 C 0.4842(2) 0.55100(13) 0.68951(11) 0.0353(5) Uani 1 1 d . . . . .
C26 C 0.5247(2) 0.50481(14) 0.66384(13) 0.0400(6) Uani 1 1 d . . . . .
H26 H 0.584000 0.516080 0.649946 0.048 Uiso 1 1 calc R U . . .
C27 C 0.4804(2) 0.44315(14) 0.65822(15) 0.0465(7) Uani 1 1 d . . . . .
H27 H 0.510021 0.413092 0.641202 0.056 Uiso 1 1 calc R U . . .
C28 C 0.3927(3) 0.42530(15) 0.67747(15) 0.0495(7) Uani 1 1 d . . . . .
H28 H 0.361886 0.383240 0.672766 0.059 Uiso 1 1 calc R U . . .
C29 C 0.3509(2) 0.46925(15) 0.70348(15) 0.0456(7) Uani 1 1 d . . . . .
H29 H 0.291946 0.457304 0.717585 0.055 Uiso 1 1 calc R U . . .
C30 C 0.3954(2) 0.53126(14) 0.70901(12) 0.0390(6) Uani 1 1 d . . . . .
H30 H 0.365234 0.560910 0.726258 0.047 Uiso 1 1 calc R U . . .
C31 C 0.5924(2) 0.64124(14) 0.62335(14) 0.0450(7) Uani 1 1 d . . . . .
C32 C 0.5426(3) 0.60372(18) 0.57199(15) 0.0563(9) Uani 1 1 d . . . . .
H32 H 0.484820 0.576350 0.575103 0.068 Uiso 1 1 calc R U . . .
C33 C 0.5728(4) 0.6041(2) 0.51644(17) 0.0707(12) Uani 1 1 d . . . . .
H33 H 0.536612 0.577525 0.482712 0.085 Uiso 1 1 calc R U . . .
C34 C 0.6579(4) 0.6447(2) 0.5113(2) 0.0827(16) Uani 1 1 d . . . . .
H34 H 0.679360 0.646138 0.473683 0.099 Uiso 1 1 calc R U . . .
C35 C 0.7104(4) 0.6826(2) 0.5610(2) 0.0849(16) Uani 1 1 d . . . . .
H35 H 0.768499 0.709440 0.557527 0.102 Uiso 1 1 calc R U . . .
C36 C 0.6778(3) 0.68156(17) 0.61749(19) 0.0627(10) Uani 1 1 d . . . . .
H36 H 0.713784 0.708164 0.651281 0.075 Uiso 1 1 calc R U . . .
C37 C 0.1779(2) 0.69356(16) 0.66892(13) 0.0451(7) Uani 1 1 d . . . . .
C38 C 0.1172(3) 0.6479(2) 0.69138(18) 0.0644(10) Uani 1 1 d . . . . .
H38 H 0.137186 0.636816 0.727993 0.077 Uiso 1 1 calc R U . . .
C39 C 0.0289(3) 0.6185(2) 0.6619(2) 0.0710(11) Uani 1 1 d . . . . .
H39 H -0.010904 0.588157 0.678683 0.085 Uiso 1 1 calc R U . . .
C40 C -0.0017(3) 0.63312(19) 0.60789(16) 0.0566(8) Uani 1 1 d . . . . .
H40 H -0.062546 0.613384 0.587802 0.068 Uiso 1 1 calc R U . . .
C41 C 0.0570(3) 0.67634(18) 0.58397(15) 0.0556(8) Uani 1 1 d . . . . .
H41 H 0.037344 0.686002 0.546601 0.067 Uiso 1 1 calc R U . . .
C42 C 0.1451(3) 0.70614(17) 0.61393(14) 0.0503(7) Uani 1 1 d . . . . .
H42 H 0.184421 0.736115 0.596509 0.060 Uiso 1 1 calc R U . . .
C43 C 0.3117(3) 0.81948(17) 0.71182(13) 0.0496(7) Uani 1 1 d . . . . .
C44 C 0.2358(4) 0.8452(2) 0.6996(2) 0.0973(19) Uani 1 1 d . . . . .
H44 H 0.173588 0.820244 0.690963 0.117 Uiso 1 1 calc R U . . .
C45 C 0.2526(6) 0.9096(3) 0.7003(3) 0.134(3) Uani 1 1 d . . . . .
H45 H 0.201089 0.927216 0.691560 0.161 Uiso 1 1 calc R U . . .
C46 C 0.3430(6) 0.9470(2) 0.7136(2) 0.102(2) Uani 1 1 d . . . . .
H46 H 0.354540 0.989292 0.711018 0.122 Uiso 1 1 calc R U . . .
C47 C 0.4146(5) 0.9214(2) 0.7303(3) 0.0981(18) Uani 1 1 d . . . . .
H47 H 0.475562 0.946672 0.744048 0.118 Uiso 1 1 calc R U . . .
C48 C 0.3992(3) 0.85898(19) 0.7275(2) 0.0714(11) Uani 1 1 d . . . . .
H48 H 0.451569 0.842336 0.736839 0.086 Uiso 1 1 calc R U . . .
C49 C 0.62419(19) 0.66285(13) 0.76716(12) 0.0353(5) Uani 1 1 d . . . . .
C50 C 0.8638(2) 0.69145(17) 0.88211(19) 0.0561(9) Uani 1 1 d . . . . .
C51 C 0.8435(3) 0.69127(18) 0.94641(18) 0.0588(9) Uani 1 1 d . . . . .
H51A H 0.902764 0.697564 0.972479 0.071 Uiso 1 1 calc R U . . .
H51B H 0.812554 0.724219 0.958126 0.071 Uiso 1 1 calc R U . . .
H51C H 0.802147 0.651901 0.949685 0.071 Uiso 1 1 calc R U . . .
C52 C 0.9127(3) 0.63909(19) 0.8642(2) 0.0657(11) Uani 1 1 d . . . . .
H52A H 0.971171 0.645034 0.890911 0.079 Uiso 1 1 calc R U . . .
H52B H 0.870663 0.599772 0.866825 0.079 Uiso 1 1 calc R U . . .
H52C H 0.927079 0.639405 0.823409 0.079 Uiso 1 1 calc R U . . .
C53 C 0.9323(3) 0.75239(18) 0.8789(2) 0.0680(11) Uani 1 1 d . . . . .
H53A H 0.989811 0.757260 0.906251 0.082 Uiso 1 1 calc R U . . .
H53B H 0.948099 0.752654 0.838439 0.082 Uiso 1 1 calc R U . . .
H53C H 0.902647 0.786150 0.889972 0.082 Uiso 1 1 calc R U . . .
C54 C 0.51286(19) 0.69233(13) 0.86933(12) 0.0361(5) Uani 1 1 d . . . . .
C55 C 0.5235(2) 0.70212(15) 0.98515(12) 0.0433(6) Uani 1 1 d . . . . .
C56 C 0.4430(3) 0.6523(2) 0.99828(16) 0.0760(13) Uani 1 1 d . . . . .
H56A H 0.444490 0.654169 1.041231 0.091 Uiso 1 1 calc R U . . .
H56B H 0.382765 0.658524 0.981428 0.091 Uiso 1 1 calc R U . . .
H56C H 0.450296 0.612133 0.980607 0.091 Uiso 1 1 calc R U . . .
C57 C 0.6189(3) 0.6937(2) 1.00779(16) 0.0666(11) Uani 1 1 d . . . . .
H57A H 0.624949 0.696795 1.050992 0.080 Uiso 1 1 calc R U . . .
H57B H 0.625551 0.653426 0.990157 0.080 Uiso 1 1 calc R U . . .
H57C H 0.668237 0.725539 0.996891 0.080 Uiso 1 1 calc R U . . .
C58 C 0.5135(3) 0.76519(19) 1.01045(15) 0.0601(9) Uani 1 1 d . . . . .
H58A H 0.517034 0.769110 1.053655 0.072 Uiso 1 1 calc R U . . .
H58B H 0.564307 0.796279 0.999996 0.072 Uiso 1 1 calc R U . . .
H58C H 0.452570 0.770913 0.994052 0.072 Uiso 1 1 calc R U . . .
C59 C 0.3874(2) 0.70154(14) 0.76821(11) 0.0378(6) Uani 1 1 d . . . . .
C60 C 0.2803(2) 0.7337(2) 0.84252(14) 0.0568(9) Uani 1 1 d . . . . .
C61 C 0.3541(3) 0.7871(2) 0.87788(14) 0.0600(10) Uani 1 1 d . . . . .
H61A H 0.335803 0.797251 0.917217 0.072 Uiso 1 1 calc R U . . .
H61B H 0.414953 0.776049 0.882025 0.072 Uiso 1 1 calc R U . . .
H61C H 0.359458 0.822520 0.857309 0.072 Uiso 1 1 calc R U . . .
C62 C 0.2677(3) 0.6764(2) 0.87118(17) 0.0661(11) Uani 1 1 d . . . . .
H62A H 0.248583 0.684933 0.910548 0.079 Uiso 1 1 calc R U . . .
H62B H 0.219173 0.643533 0.846543 0.079 Uiso 1 1 calc R U . . .
H62C H 0.327373 0.663832 0.874921 0.079 Uiso 1 1 calc R U . . .
C63 C 0.1855(3) 0.7519(3) 0.83226(19) 0.0892(17) Uani 1 1 d . . . . .
H63A H 0.163652 0.762060 0.870488 0.107 Uiso 1 1 calc R U . . .
H63B H 0.194008 0.787505 0.811812 0.107 Uiso 1 1 calc R U . . .
H63C H 0.138850 0.717679 0.807969 0.107 Uiso 1 1 calc R U . . .
C64 C 0.3531(2) 0.63151(15) 0.63039(13) 0.0440(6) Uani 1 1 d . . . . .
C65 C 0.2493(4) 0.5488(2) 0.5442(2) 0.0747(12) Uani 1 1 d . . . . .
C66 C 0.2922(10) 0.5811(6) 0.4841(6) 0.107(4) Uiso 0.5 1 d . . P . .
C67 C 0.1501(9) 0.5497(6) 0.5347(6) 0.096(3) Uiso 0.5 1 d . . P . .
C68 C 0.2710(8) 0.4861(5) 0.5497(5) 0.074(3) Uiso 0.5 1 d . . P . .
C69 C 0.1484(7) 0.5250(5) 0.5771(5) 0.076(2) Uiso 0.5 1 d . . P . .
C70 C 0.2919(5) 0.4963(3) 0.5345(3) 0.0461(14) Uiso 0.5 1 d . . P . .
C71 C 0.2184(7) 0.5779(5) 0.4972(4) 0.073(2) Uiso 0.5 1 d . . P . .
C72 C 0.4906(2) 0.75250(14) 0.65518(13) 0.0444(7) Uani 1 1 d . . . . .
C73 C 0.5502(4) 0.8361(2) 0.59201(18) 0.0836(16) Uani 1 1 d . . . . .
C74 C 0.5821(4) 0.8056(3) 0.5392(2) 0.101(2) Uani 1 1 d . . . . .
H74A H 0.598400 0.834732 0.511937 0.121 Uiso 1 1 calc R U . . .
H74B H 0.637537 0.790790 0.551594 0.121 Uiso 1 1 calc R U . . .
H74C H 0.531463 0.770955 0.519277 0.121 Uiso 1 1 calc R U . . .
C75 C 0.6058(5) 0.8939(3) 0.6297(3) 0.119(2) Uani 1 1 d . . . . .
H75A H 0.623095 0.925376 0.604786 0.143 Uiso 1 1 calc R U . . .
H75B H 0.567903 0.907823 0.659170 0.143 Uiso 1 1 calc R U . . .
H75C H 0.663064 0.886599 0.649955 0.143 Uiso 1 1 calc R U . . .
C76 C 0.4525(5) 0.8539(3) 0.5706(2) 0.0944(17) Uani 1 1 d . . . . .
H76A H 0.464656 0.884130 0.543842 0.113 Uiso 1 1 calc R U . . .
H76B H 0.406706 0.817194 0.549782 0.113 Uiso 1 1 calc R U . . .
H76C H 0.427297 0.871218 0.605187 0.113 Uiso 1 1 calc R U . . .
C77 C 1.1975(2) 0.17532(15) 0.65584(13) 0.0426(6) Uani 1 1 d . . . . .
C78 C 1.2831(2) 0.21311(16) 0.68510(14) 0.0462(7) Uani 1 1 d . . . . .
H78 H 1.296550 0.215981 0.726754 0.055 Uiso 1 1 calc R U . . .
C79 C 1.3489(3) 0.24668(18) 0.65443(17) 0.0566(8) Uani 1 1 d . . . . .
H79 H 1.406631 0.271306 0.675310 0.068 Uiso 1 1 calc R U . . .
C80 C 1.3303(3) 0.2441(2) 0.59373(18) 0.0633(10) Uani 1 1 d . . . . .
H80 H 1.374655 0.267473 0.573182 0.076 Uiso 1 1 calc R U . . .
C81 C 1.2462(3) 0.2070(2) 0.56292(16) 0.0624(10) Uani 1 1 d . . . . .
H81 H 1.233143 0.205162 0.521358 0.075 Uiso 1 1 calc R U . . .
C82 C 1.1809(3) 0.17252(17) 0.59349(14) 0.0512(7) Uani 1 1 d . . . . .
H82 H 1.124503 0.146769 0.572059 0.061 Uiso 1 1 calc R U . . .
C83 C 1.1787(2) 0.12561(14) 0.76661(13) 0.0432(6) Uani 1 1 d . . . . .
C84 C 1.2423(3) 0.08748(17) 0.76287(16) 0.0567(8) Uani 1 1 d . . . . .
H84 H 1.243680 0.063716 0.725822 0.068 Uiso 1 1 calc R U . . .
C85 C 1.3028(3) 0.0835(2) 0.81145(19) 0.0735(12) Uani 1 1 d . . . . .
H85 H 1.344780 0.057402 0.807254 0.088 Uiso 1 1 calc R U . . .
C86 C 1.3023(4) 0.1176(2) 0.86623(18) 0.0736(12) Uani 1 1 d . . . . .
H86 H 1.342459 0.113936 0.899754 0.088 Uiso 1 1 calc R U . . .
C87 C 1.2434(3) 0.15671(18) 0.87162(16) 0.0630(10) Uani 1 1 d . . . . .
H87 H 1.244807 0.181371 0.908650 0.076 Uiso 1 1 calc R U . . .
C88 C 1.1811(3) 0.16045(15) 0.82285(13) 0.0459(7) Uani 1 1 d . . . . .
H88 H 1.139732 0.186919 0.827669 0.055 Uiso 1 1 calc R U . . .
C89 C 0.8814(3) 0.12739(17) 0.58446(15) 0.0519(8) Uani 1 1 d . . . . .
C90 C 0.9333(3) 0.17062(18) 0.55546(16) 0.0612(9) Uani 1 1 d . . . . .
H90 H 0.991019 0.196102 0.575388 0.073 Uiso 1 1 calc R U . . .
C91 C 0.9029(4) 0.1778(2) 0.49747(19) 0.0788(14) Uani 1 1 d . . . . .
H91 H 0.940293 0.207234 0.478442 0.095 Uiso 1 1 calc R U . . .
C92 C 0.8171(5) 0.1414(3) 0.4681(2) 0.0934(19) Uani 1 1 d . . . . .
H92 H 0.795670 0.145948 0.429106 0.112 Uiso 1 1 calc R U . . .
C93 C 0.7646(4) 0.0992(3) 0.4960(2) 0.0852(16) Uani 1 1 d . . . . .
H93 H 0.706058 0.074770 0.476247 0.102 Uiso 1 1 calc R U . . .
C94 C 0.7951(3) 0.0914(2) 0.55260(18) 0.0677(11) Uani 1 1 d . . . . .
H94 H 0.757331 0.061141 0.570601 0.081 Uiso 1 1 calc R U . . .
C95 C 0.8212(3) 0.07665(18) 0.69218(17) 0.0584(9) Uani 1 1 d . . . . .
C96 C 0.8117(3) 0.0233(2) 0.7180(2) 0.0748(13) Uani 1 1 d . . . . .
H96 H 0.860454 0.002069 0.716908 0.090 Uiso 1 1 calc R U . . .
C97 C 0.7334(5) 0.0004(3) 0.7452(3) 0.110(2) Uani 1 1 d . . . . .
H97 H 0.729232 -0.035582 0.762434 0.132 Uiso 1 1 calc R U . . .
C98 C 0.6602(5) 0.0317(4) 0.7467(3) 0.139(4) Uani 1 1 d . . . . .
H98 H 0.606400 0.016723 0.765084 0.167 Uiso 1 1 calc R U . . .
C99 C 0.6672(3) 0.0836(4) 0.7217(3) 0.119(3) Uani 1 1 d . . . . .
H99 H 0.617751 0.104242 0.722954 0.143 Uiso 1 1 calc R U . . .
C100 C 0.7464(3) 0.1073(3) 0.6939(2) 0.0787(14) Uani 1 1 d . . . . .
H100 H 0.749731 0.143235 0.676573 0.094 Uiso 1 1 calc R U . . .
C101 C 1.12561(19) 0.30401(12) 0.78090(12) 0.0339(5) Uani 1 1 d . . . . .
C102 C 1.2091(2) 0.33843(13) 0.76563(13) 0.0372(5) Uani 1 1 d . . . . .
H102 H 1.213412 0.341623 0.725158 0.045 Uiso 1 1 calc R U . . .
C103 C 1.2865(2) 0.36827(14) 0.80792(14) 0.0419(6) Uani 1 1 d . . . . .
H103 H 1.341904 0.390942 0.795807 0.050 Uiso 1 1 calc R U . . .
C104 C 1.2821(2) 0.36473(14) 0.86766(14) 0.0414(6) Uani 1 1 d . . . . .
H104 H 1.334160 0.385195 0.896449 0.050 Uiso 1 1 calc R U . . .
C105 C 1.2004(2) 0.33076(13) 0.88481(13) 0.0383(5) Uani 1 1 d . . . . .
H105 H 1.196905 0.327717 0.925379 0.046 Uiso 1 1 calc R U . . .
C106 C 1.12379(19) 0.30121(13) 0.84208(11) 0.0341(5) Uani 1 1 d . . . . .
H106 H 1.068654 0.278498 0.854490 0.041 Uiso 1 1 calc R U . . .
C107 C 1.0231(2) 0.30547(14) 0.66074(12) 0.0444(6) Uani 1 1 d . . . . .
C108 C 0.9616(3) 0.33985(18) 0.64257(15) 0.0577(9) Uani 1 1 d . . . . .
H108 H 0.908624 0.341409 0.662893 0.069 Uiso 1 1 calc R U . . .
C109 C 0.9755(4) 0.3724(2) 0.59499(18) 0.0804(14) Uani 1 1 d . . . . .
H109 H 0.932347 0.395582 0.583748 0.097 Uiso 1 1 calc R U . . .
C110 C 1.0520(4) 0.3705(2) 0.56450(17) 0.0824(15) Uani 1 1 d . . . . .
H110 H 1.061848 0.392721 0.532565 0.099 Uiso 1 1 calc R U . . .
C111 C 1.1133(4) 0.3364(2) 0.58079(16) 0.0698(12) Uani 1 1 d . . . . .
H111 H 1.165499 0.334655 0.559768 0.084 Uiso 1 1 calc R U . . .
C112 C 1.0994(3) 0.30435(16) 0.62817(14) 0.0523(8) Uani 1 1 d . . . . .
H112 H 1.142748 0.281027 0.638756 0.063 Uiso 1 1 calc R U . . .
C113 C 0.8550(2) 0.35659(16) 0.91550(14) 0.0467(7) Uani 1 1 d . . . . .
C114 C 0.9523(2) 0.36939(16) 0.93122(14) 0.0482(7) Uani 1 1 d . . . . .
H114 H 0.989330 0.351524 0.905648 0.058 Uiso 1 1 calc R U . . .
C115 C 0.9968(3) 0.40805(18) 0.98392(16) 0.0557(8) Uani 1 1 d . . . . .
H115 H 1.062931 0.415605 0.994384 0.067 Uiso 1 1 calc R U . . .
C116 C 0.9420(3) 0.4351(2) 1.02056(17) 0.0653(10) Uani 1 1 d . . . . .
H116 H 0.971142 0.461570 1.056190 0.078 Uiso 1 1 calc R U . . .
C117 C 0.8464(3) 0.4239(2) 1.00566(17) 0.0693(11) Uani 1 1 d . . . . .
H117 H 0.810005 0.443047 1.030719 0.083 Uiso 1 1 calc R U . . .
C118 C 0.8024(3) 0.38452(19) 0.95369(16) 0.0598(9) Uani 1 1 d . . . . .
H118 H 0.736087 0.376549 0.944134 0.072 Uiso 1 1 calc R U . . .
C119 C 0.6691(2) 0.29403(16) 0.83270(14) 0.0459(7) Uani 1 1 d . . . . .
C120 C 0.6390(2) 0.34844(18) 0.83109(16) 0.0534(8) Uani 1 1 d . . . . .
H120 H 0.684054 0.386554 0.838911 0.064 Uiso 1 1 calc R U . . .
C121 C 0.5442(3) 0.3471(2) 0.81820(18) 0.0597(9) Uani 1 1 d . . . . .
H121 H 0.524767 0.384109 0.817425 0.072 Uiso 1 1 calc R U . . .
C122 C 0.4779(3) 0.2916(2) 0.80647(18) 0.0644(10) Uani 1 1 d . . . . .
H122 H 0.413057 0.290926 0.798463 0.077 Uiso 1 1 calc R U . . .
C123 C 0.5054(3) 0.2375(2) 0.8063(2) 0.0679(11) Uani 1 1 d . . . . .
H123 H 0.459949 0.199553 0.797785 0.081 Uiso 1 1 calc R U . . .
C124 C 0.6013(2) 0.23887(18) 0.81895(17) 0.0539(8) Uani 1 1 d . . . . .
H124 H 0.620280 0.201532 0.818105 0.065 Uiso 1 1 calc R U . . .
C125 C 1.0110(2) 0.18087(13) 0.71038(11) 0.0367(5) Uani 1 1 d . . . . .
C126 C 1.0259(3) 0.01487(16) 0.62760(16) 0.0543(8) Uani 1 1 d . . . . .
C127 C 1.1105(3) 0.02009(19) 0.59217(18) 0.0662(10) Uani 1 1 d . . . . .
H12A H 1.112482 -0.020671 0.572881 0.079 Uiso 1 1 calc R U . . .
H12B H 1.103869 0.046054 0.562035 0.079 Uiso 1 1 calc R U . . .
H12C H 1.168808 0.038217 0.619066 0.079 Uiso 1 1 calc R U . . .
C128 C 1.0382(3) -0.02609(17) 0.67426(19) 0.0674(10) Uani 1 1 d . . . . .
H12D H 1.041634 -0.066387 0.654531 0.081 Uiso 1 1 calc R U . . .
H12E H 1.096353 -0.007446 0.701179 0.081 Uiso 1 1 calc R U . . .
H12F H 0.984419 -0.030595 0.696867 0.081 Uiso 1 1 calc R U . . .
C129 C 0.9353(3) -0.01522(19) 0.58544(18) 0.0675(11) Uani 1 1 d . . . . .
H12G H 0.939696 -0.055437 0.566033 0.081 Uiso 1 1 calc R U . . .
H12H H 0.881445 -0.020034 0.607935 0.081 Uiso 1 1 calc R U . . .
H12I H 0.926974 0.010557 0.555398 0.081 Uiso 1 1 calc R U . . .
C130 C 0.9537(2) 0.12043(15) 0.81827(15) 0.0478(7) Uani 1 1 d . . . . .
C131 C 0.9833(4) 0.0319(2) 0.8757(2) 0.0772(13) Uani 1 1 d . . . . .
C132 C 0.8888(5) -0.0103(3) 0.8788(5) 0.158(4) Uani 1 1 d . . . . .
H13A H 0.898239 -0.043173 0.900522 0.189 Uiso 1 1 calc R U . . .
H13B H 0.849230 0.012930 0.899255 0.189 Uiso 1 1 calc R U . . .
H13C H 0.857923 -0.027946 0.838579 0.189 Uiso 1 1 calc R U . . .
C133 C 1.0330(6) 0.0634(3) 0.9377(2) 0.117(2) Uani 1 1 d . . . . .
H13D H 1.045688 0.032440 0.961119 0.140 Uiso 1 1 calc R U . . .
H13E H 1.092507 0.091472 0.933946 0.140 Uiso 1 1 calc R U . . .
H13F H 0.992436 0.086322 0.957551 0.140 Uiso 1 1 calc R U . . .
C134 C 1.0452(4) -0.0018(2) 0.8421(2) 0.0866(15) Uani 1 1 d . . . . .
H13G H 1.057919 -0.034521 0.862946 0.104 Uiso 1 1 calc R U . . .
H13H H 1.013086 -0.019374 0.802140 0.104 Uiso 1 1 calc R U . . .
H13I H 1.104795 0.026847 0.839386 0.104 Uiso 1 1 calc R U . . .
C135 C 0.86380(19) 0.22253(14) 0.82646(12) 0.0385(6) Uani 1 1 d . . . . .
C136 C 0.7991(3) 0.18703(17) 0.91824(14) 0.0520(8) Uani 1 1 d . . . . .
C137 C 0.7328(3) 0.2128(2) 0.95799(18) 0.0731(12) Uani 1 1 d . . . . .
H13J H 0.722419 0.189126 0.990396 0.088 Uiso 1 1 calc R U . . .
H13K H 0.761719 0.255701 0.974399 0.088 Uiso 1 1 calc R U . . .
H13L H 0.672405 0.209834 0.934303 0.088 Uiso 1 1 calc R U . . .
C138 C 0.8958(3) 0.1937(2) 0.95385(16) 0.0598(9) Uani 1 1 d . . . . .
H13M H 0.888846 0.168665 0.985390 0.072 Uiso 1 1 calc R U . . .
H13N H 0.938397 0.180152 0.927489 0.072 Uiso 1 1 calc R U . . .
H13O H 0.921969 0.236676 0.971365 0.072 Uiso 1 1 calc R U . . .
C139 C 0.7532(3) 0.12143(19) 0.89001(17) 0.0593(9) Uani 1 1 d . . . . .
H13P H 0.744959 0.095649 0.920935 0.071 Uiso 1 1 calc R U . . .
H13Q H 0.691653 0.119632 0.868315 0.071 Uiso 1 1 calc R U . . .
H13R H 0.793398 0.106693 0.862560 0.071 Uiso 1 1 calc R U . . .
C140 C 0.9498(2) 0.36049(15) 0.78298(12) 0.0398(6) Uani 1 1 d . . . . .
C141 C 1.0539(2) 0.47178(14) 0.79273(14) 0.0430(6) Uani 1 1 d . . . . .
C142 C 1.1328(2) 0.47641(16) 0.84272(17) 0.0518(7) Uani 1 1 d . . . . .
H14A H 1.176933 0.516538 0.847580 0.062 Uiso 1 1 calc R U . . .
H14B H 1.105951 0.471343 0.879684 0.062 Uiso 1 1 calc R U . . .
H14C H 1.166266 0.444309 0.832948 0.062 Uiso 1 1 calc R U . . .
C143 C 0.9971(2) 0.51934(16) 0.80747(17) 0.0515(7) Uani 1 1 d . . . . .
H14D H 1.038112 0.560434 0.811400 0.062 Uiso 1 1 calc R U . . .
H14E H 0.945230 0.514104 0.775650 0.062 Uiso 1 1 calc R U . . .
H14F H 0.971612 0.513986 0.844814 0.062 Uiso 1 1 calc R U . . .
C144 C 1.0917(3) 0.47738(18) 0.73352(17) 0.0577(8) Uani 1 1 d . . . . .
H14G H 1.134634 0.517641 0.736138 0.069 Uiso 1 1 calc R U . . .
H14H H 1.125633 0.445463 0.724159 0.069 Uiso 1 1 calc R U . . .
H14I H 1.039128 0.472621 0.702281 0.069 Uiso 1 1 calc R U . . .
C145 C 0.7890(2) 0.26711(17) 0.70875(14) 0.0499(7) Uani 1 1 d . . . . .
C146 C 0.6583(3) 0.2564(2) 0.61932(18) 0.0714(12) Uani 1 1 d . . . . .
C147 C 0.7122(4) 0.2621(3) 0.5645(2) 0.109(2) Uani 1 1 d . . . . .
H14J H 0.667384 0.258690 0.529107 0.131 Uiso 1 1 calc R U . . .
H14K H 0.757608 0.301871 0.570666 0.131 Uiso 1 1 calc R U . . .
H14L H 0.745739 0.229401 0.559194 0.131 Uiso 1 1 calc R U . . .
C148 C 0.5878(4) 0.1967(3) 0.6135(3) 0.110(2) Uani 1 1 d . . . . .
H14M H 0.539898 0.192834 0.579632 0.132 Uiso 1 1 calc R U . . .
H14N H 0.619617 0.163163 0.607437 0.132 Uiso 1 1 calc R U . . .
H14O H 0.557710 0.194836 0.649742 0.132 Uiso 1 1 calc R U . . .
C149 C 0.6126(3) 0.3096(2) 0.6301(2) 0.0769(13) Uani 1 1 d . . . . .
H14P H 0.564322 0.307074 0.596739 0.092 Uiso 1 1 calc R U . . .
H14Q H 0.583467 0.308192 0.666656 0.092 Uiso 1 1 calc R U . . .
H14R H 0.660456 0.348066 0.633807 0.092 Uiso 1 1 calc R U . . .
C150 C 1.2075(7) -0.0353(5) 0.9622(5) 0.078(2) Uiso 0.5 1 d . . P . .
C151 C 1.2785(7) -0.0525(5) 0.9247(4) 0.076(2) Uiso 0.5 1 d . . P . .
C152 C 1.3632(4) -0.0038(3) 0.9353(3) 0.0441(12) Uiso 0.5 1 d . . P . .
C153 C 1.4300(7) -0.0199(4) 0.9000(4) 0.072(2) Uiso 0.5 1 d . . P . .
C154 C 1.5089(8) 0.0322(5) 0.9060(5) 0.083(3) Uiso 0.5 1 d . . P . .
C155 C 0.4694(9) 0.0314(6) 0.5671(6) 0.096(3) Uiso 0.5 1 d . . P . .
C156 C 0.4645(7) 0.0178(5) 0.5114(4) 0.074(2) Uiso 0.5 1 d . . P . .
C157 C 0.3926(13) 0.0665(9) 0.5924(9) 0.073(4) Uiso 0.25 1 d . . P . .


#==============================================================================
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_cell_refinement       'RAPID AUTO'
_computing_data_reduction        'RAPID AUTO'
_computing_structure_solution    'SHELXT Version 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL Version 2017/1 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.3 (Rigaku, 2018)'
_computing_molecular_graphics    'CrystalStructure 4.3'

#==============================================================================
# MOLECULAR GEOMETRY

_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ni1 C59 1.782(3) . ?
Ni1 C54 1.795(3) . ?
Ni1 C49 2.029(3) . ?
Ni1 Si3 2.3887(17) . ?
Ni1 Ni2 2.4229(17) . ?
Ni2 C72 1.816(3) . ?
Ni2 C64 1.822(4) . ?
Ni2 C59 1.840(3) . ?
Ni2 Si4 2.2129(16) . ?
Ni2 Si3 2.4042(17) . ?
Ni3 C135 1.784(3) . ?
Ni3 C130 1.789(4) . ?
Ni3 C125 2.019(3) . ?
Ni3 Si7 2.4020(15) . ?
Ni3 Ni4 2.4524(18) . ?
Ni4 C140 1.807(3) . ?
Ni4 C145 1.844(3) . ?
Ni4 C135 1.848(3) . ?
Ni4 Si8 2.2059(15) . ?
Ni4 Si7 2.3710(17) . ?
Si1 N1 1.734(3) . ?
Si1 C49 1.817(3) . ?
Si1 C7 1.859(3) . ?
Si1 C1 1.865(3) . ?
Si1 Si2 2.492(2) . ?
Si2 N1 1.717(3) . ?
Si2 C49 1.824(3) . ?
Si2 C13 1.861(3) . ?
Si2 C19 1.863(3) . ?
Si3 C49 1.803(3) . ?
Si3 C25 1.870(3) . ?
Si3 C31 1.875(3) . ?
Si4 N3 1.743(3) . ?
Si4 C37 1.835(4) . ?
Si4 C43 1.857(4) . ?
Si4 C59 2.091(3) . ?
Si5 N6 1.717(3) . ?
Si5 C125 1.823(3) . ?
Si5 C77 1.853(3) . ?
Si5 C83 1.855(3) . ?
Si5 Si6 2.495(2) . ?
Si6 N6 1.719(3) . ?
Si6 C125 1.827(3) . ?
Si6 C89 1.855(4) . ?
Si6 C95 1.869(4) . ?
Si7 C125 1.784(3) . ?
Si7 C107 1.878(3) . ?
Si7 C101 1.879(3) . ?
Si8 N8 1.751(3) . ?
Si8 C113 1.846(3) . ?
Si8 C119 1.848(3) . ?
Si8 C135 2.104(3) . ?
N1 C50 1.467(4) . ?
N2 C54 1.139(3) . ?
N2 C55 1.435(4) . ?
N3 C59 1.311(3) . ?
N3 C60 1.479(4) . ?
N4 C64 1.144(4) . ?
N4 C65 1.436(5) . ?
N5 C72 1.133(4) . ?
N5 C73 1.428(4) . ?
N6 C126 1.461(4) . ?
N7 C130 1.144(4) . ?
N7 C131 1.445(5) . ?
N8 C135 1.307(3) . ?
N8 C136 1.463(4) . ?
N9 C140 1.139(4) . ?
N9 C141 1.432(4) . ?
N10 C145 1.137(4) . ?
N10 C146 1.432(5) . ?
C1 C2 1.372(4) . ?
C1 C6 1.376(4) . ?
C2 C3 1.373(4) . ?
C2 H2 0.9300 . ?
C3 C4 1.352(5) . ?
C3 H3 0.9300 . ?
C4 C5 1.353(5) . ?
C4 H4 0.9300 . ?
C5 C6 1.381(4) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C8 1.377(4) . ?
C7 C12 1.384(4) . ?
C8 C9 1.362(4) . ?
C8 H8 0.9300 . ?
C9 C10 1.366(5) . ?
C9 H9 0.9300 . ?
C10 C11 1.345(6) . ?
C10 H10 0.9300 . ?
C11 C12 1.378(5) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C14 1.378(5) . ?
C13 C18 1.394(6) . ?
C14 C15 1.363(6) . ?
C14 H14 0.9300 . ?
C15 C16 1.354(9) . ?
C15 H15 0.9300 . ?
C16 C17 1.388(8) . ?
C16 H16 0.9300 . ?
C17 C18 1.363(6) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 C24 1.373(5) . ?
C19 C20 1.388(5) . ?
C20 C21 1.367(5) . ?
C20 H20 0.9300 . ?
C21 C22 1.343(5) . ?
C21 H21 0.9300 . ?
C22 C23 1.370(6) . ?
C22 H22 0.9300 . ?
C23 C24 1.368(5) . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
C25 C26 1.379(4) . ?
C25 C30 1.390(4) . ?
C26 C27 1.363(4) . ?
C26 H26 0.9300 . ?
C27 C28 1.366(5) . ?
C27 H27 0.9300 . ?
C28 C29 1.356(5) . ?
C28 H28 0.9300 . ?
C29 C30 1.370(4) . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?
C31 C32 1.366(5) . ?
C31 C36 1.380(5) . ?
C32 C33 1.363(4) . ?
C32 H32 0.9300 . ?
C33 C34 1.376(7) . ?
C33 H33 0.9300 . ?
C34 C35 1.356(8) . ?
C34 H34 0.9300 . ?
C35 C36 1.398(5) . ?
C35 H35 0.9300 . ?
C36 H36 0.9300 . ?
C37 C42 1.369(4) . ?
C37 C38 1.371(5) . ?
C38 C39 1.355(6) . ?
C38 H38 0.9300 . ?
C39 C40 1.359(5) . ?
C39 H39 0.9300 . ?
C40 C41 1.339(5) . ?
C40 H40 0.9300 . ?
C41 C42 1.358(5) . ?
C41 H41 0.9300 . ?
C42 H42 0.9300 . ?
C43 C48 1.350(6) . ?
C43 C44 1.366(5) . ?
C44 C45 1.397(8) . ?
C44 H44 0.9300 . ?
C45 C46 1.362(10) . ?
C45 H45 0.9300 . ?
C46 C47 1.332(9) . ?
C46 H46 0.9300 . ?
C47 C48 1.350(6) . ?
C47 H47 0.9300 . ?
C48 H48 0.9300 . ?
C50 C51 1.504(6) . ?
C50 C53 1.505(5) . ?
C50 C52 1.520(5) . ?
C51 H51A 0.9600 . ?
C51 H51B 0.9600 . ?
C51 H51C 0.9600 . ?
C52 H52A 0.9600 . ?
C52 H52B 0.9600 . ?
C52 H52C 0.9600 . ?
C53 H53A 0.9600 . ?
C53 H53B 0.9600 . ?
C53 H53C 0.9600 . ?
C55 C57 1.480(5) . ?
C55 C58 1.486(5) . ?
C55 C56 1.497(5) . ?
C56 H56A 0.9600 . ?
C56 H56B 0.9600 . ?
C56 H56C 0.9600 . ?
C57 H57A 0.9600 . ?
C57 H57B 0.9600 . ?
C57 H57C 0.9600 . ?
C58 H58A 0.9600 . ?
C58 H58B 0.9600 . ?
C58 H58C 0.9600 . ?
C60 C61 1.483(6) . ?
C60 C62 1.490(6) . ?
C60 C63 1.513(5) . ?
C61 H61A 0.9600 . ?
C61 H61B 0.9600 . ?
C61 H61C 0.9600 . ?
C62 H62A 0.9600 . ?
C62 H62B 0.9600 . ?
C62 H62C 0.9600 . ?
C63 H63A 0.9600 . ?
C63 H63B 0.9600 . ?
C63 H63C 0.9600 . ?
C65 C71 1.398(10) . ?
C65 C67 1.428(13) . ?
C65 C70 1.436(8) . ?
C65 C68 1.515(12) . ?
C65 C69 1.705(11) . ?
C65 C66 1.718(14) . ?
C66 C71 1.119(14) . ?
C67 C69 1.163(14) . ?
C67 C71 1.448(15) . ?
C68 C70 0.518(11) . ?
C73 C74 1.453(7) . ?
C73 C75 1.462(8) . ?
C73 C76 1.593(8) . ?
C74 H74A 0.9600 . ?
C74 H74B 0.9600 . ?
C74 H74C 0.9600 . ?
C75 H75A 0.9600 . ?
C75 H75B 0.9600 . ?
C75 H75C 0.9600 . ?
C76 H76A 0.9600 . ?
C76 H76B 0.9600 . ?
C76 H76C 0.9600 . ?
C77 C78 1.376(5) . ?
C77 C82 1.392(4) . ?
C78 C79 1.372(4) . ?
C78 H78 0.9300 . ?
C79 C80 1.358(6) . ?
C79 H79 0.9300 . ?
C80 C81 1.368(6) . ?
C80 H80 0.9300 . ?
C81 C82 1.375(5) . ?
C81 H81 0.9300 . ?
C82 H82 0.9300 . ?
C83 C84 1.381(5) . ?
C83 C88 1.386(4) . ?
C84 C85 1.357(5) . ?
C84 H84 0.9300 . ?
C85 C86 1.359(6) . ?
C85 H85 0.9300 . ?
C86 C87 1.347(6) . ?
C86 H86 0.9300 . ?
C87 C88 1.374(5) . ?
C87 H87 0.9300 . ?
C88 H88 0.9300 . ?
C89 C90 1.361(6) . ?
C89 C94 1.391(5) . ?
C90 C91 1.379(6) . ?
C90 H90 0.9300 . ?
C91 C92 1.368(8) . ?
C91 H91 0.9300 . ?
C92 C93 1.334(8) . ?
C92 H92 0.9300 . ?
C93 C94 1.354(6) . ?
C93 H93 0.9300 . ?
C94 H94 0.9300 . ?
C95 C96 1.378(6) . ?
C95 C100 1.398(6) . ?
C96 C97 1.364(6) . ?
C96 H96 0.9300 . ?
C97 C98 1.387(11) . ?
C97 H97 0.9300 . ?
C98 C99 1.342(12) . ?
C98 H98 0.9300 . ?
C99 C100 1.388(7) . ?
C99 H99 0.9300 . ?
C100 H100 0.9300 . ?
C101 C102 1.375(4) . ?
C101 C106 1.389(4) . ?
C102 C103 1.373(4) . ?
C102 H102 0.9300 . ?
C103 C104 1.364(4) . ?
C103 H103 0.9300 . ?
C104 C105 1.368(4) . ?
C104 H104 0.9300 . ?
C105 C106 1.371(4) . ?
C105 H105 0.9300 . ?
C106 H106 0.9300 . ?
C107 C108 1.362(5) . ?
C107 C112 1.380(5) . ?
C108 C109 1.377(5) . ?
C108 H108 0.9300 . ?
C109 C110 1.357(7) . ?
C109 H109 0.9300 . ?
C110 C111 1.342(7) . ?
C110 H110 0.9300 . ?
C111 C112 1.368(5) . ?
C111 H111 0.9300 . ?
C112 H112 0.9300 . ?
C113 C114 1.366(5) . ?
C113 C118 1.374(4) . ?
C114 C115 1.376(5) . ?
C114 H114 0.9300 . ?
C115 C116 1.367(5) . ?
C115 H115 0.9300 . ?
C116 C117 1.343(6) . ?
C116 H116 0.9300 . ?
C117 C118 1.369(5) . ?
C117 H117 0.9300 . ?
C118 H118 0.9300 . ?
C119 C124 1.366(5) . ?
C119 C120 1.379(5) . ?
C120 C121 1.360(5) . ?
C120 H120 0.9300 . ?
C121 C122 1.359(6) . ?
C121 H121 0.9300 . ?
C122 C123 1.350(6) . ?
C122 H122 0.9300 . ?
C123 C124 1.374(5) . ?
C123 H123 0.9300 . ?
C124 H124 0.9300 . ?
C126 C129 1.501(5) . ?
C126 C128 1.504(6) . ?
C126 C127 1.509(5) . ?
C127 H12A 0.9600 . ?
C127 H12B 0.9600 . ?
C127 H12C 0.9600 . ?
C128 H12D 0.9600 . ?
C128 H12E 0.9600 . ?
C128 H12F 0.9600 . ?
C129 H12G 0.9600 . ?
C129 H12H 0.9600 . ?
C129 H12I 0.9600 . ?
C131 C134 1.483(6) . ?
C131 C132 1.484(8) . ?
C131 C133 1.508(8) . ?
C132 H13A 0.9600 . ?
C132 H13B 0.9600 . ?
C132 H13C 0.9600 . ?
C133 H13D 0.9600 . ?
C133 H13E 0.9600 . ?
C133 H13F 0.9600 . ?
C134 H13G 0.9600 . ?
C134 H13H 0.9600 . ?
C134 H13I 0.9600 . ?
C136 C139 1.488(5) . ?
C136 C138 1.506(5) . ?
C136 C137 1.519(5) . ?
C137 H13J 0.9600 . ?
C137 H13K 0.9600 . ?
C137 H13L 0.9600 . ?
C138 H13M 0.9600 . ?
C138 H13N 0.9600 . ?
C138 H13O 0.9600 . ?
C139 H13P 0.9600 . ?
C139 H13Q 0.9600 . ?
C139 H13R 0.9600 . ?
C141 C143 1.497(4) . ?
C141 C144 1.497(5) . ?
C141 C142 1.498(5) . ?
C142 H14A 0.9600 . ?
C142 H14B 0.9600 . ?
C142 H14C 0.9600 . ?
C143 H14D 0.9600 . ?
C143 H14E 0.9600 . ?
C143 H14F 0.9600 . ?
C144 H14G 0.9600 . ?
C144 H14H 0.9600 . ?
C144 H14I 0.9600 . ?
C146 C148 1.465(7) . ?
C146 C149 1.481(6) . ?
C146 C147 1.524(7) . ?
C147 H14J 0.9600 . ?
C147 H14K 0.9600 . ?
C147 H14L 0.9600 . ?
C148 H14M 0.9600 . ?
C148 H14N 0.9600 . ?
C148 H14O 0.9600 . ?
C149 H14P 0.9600 . ?
C149 H14Q 0.9600 . ?
C149 H14R 0.9600 . ?
C150 C151 1.467(13) . ?
C151 C152 1.416(11) . ?
C152 C153 1.379(11) . ?
C153 C154 1.414(14) . ?
C155 C156 1.241(14) . ?
C155 C157 1.59(2) . ?
C156 C156 1.509(19) 2_656 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C59 Ni1 C54 104.47(12) . . ?
C59 Ni1 C49 151.92(12) . . ?
C54 Ni1 C49 103.55(12) . . ?
C59 Ni1 Si3 106.42(9) . . ?
C54 Ni1 Si3 145.89(9) . . ?
C49 Ni1 Si3 47.30(9) . . ?
C59 Ni1 Ni2 49.05(8) . . ?
C54 Ni1 Ni2 153.28(9) . . ?
C49 Ni1 Ni2 102.87(9) . . ?
Si3 Ni1 Ni2 59.95(6) . . ?
C72 Ni2 C64 106.54(15) . . ?
C72 Ni2 C59 127.05(14) . . ?
C64 Ni2 C59 123.07(14) . . ?
C72 Ni2 Si4 99.83(11) . . ?
C64 Ni2 Si4 95.07(11) . . ?
C59 Ni2 Si4 61.29(9) . . ?
C72 Ni2 Si3 93.86(12) . . ?
C64 Ni2 Si3 88.68(11) . . ?
C59 Ni2 Si3 103.86(9) . . ?
Si4 Ni2 Si3 164.11(3) . . ?
C72 Ni2 Ni1 112.65(12) . . ?
C64 Ni2 Ni1 129.86(10) . . ?
C59 Ni2 Ni1 46.99(10) . . ?
Si4 Ni2 Ni1 107.39(4) . . ?
Si3 Ni2 Ni1 59.32(3) . . ?
C135 Ni3 C130 105.78(14) . . ?
C135 Ni3 C125 149.16(13) . . ?
C130 Ni3 C125 105.06(13) . . ?
C135 Ni3 Si7 105.10(11) . . ?
C130 Ni3 Si7 143.09(11) . . ?
C125 Ni3 Si7 46.60(9) . . ?
C135 Ni3 Ni4 48.65(10) . . ?
C130 Ni3 Ni4 154.20(10) . . ?
C125 Ni3 Ni4 100.56(9) . . ?
Si7 Ni3 Ni4 58.46(5) . . ?
C140 Ni4 C145 107.41(15) . . ?
C140 Ni4 C135 133.48(13) . . ?
C145 Ni4 C135 116.06(15) . . ?
C140 Ni4 Si8 95.20(10) . . ?
C145 Ni4 Si8 101.03(12) . . ?
C135 Ni4 Si8 61.79(10) . . ?
C140 Ni4 Si7 81.98(10) . . ?
C145 Ni4 Si7 101.27(12) . . ?
C135 Ni4 Si7 104.17(9) . . ?
Si8 Ni4 Si7 157.33(3) . . ?
C140 Ni4 Ni3 130.16(10) . . ?
C145 Ni4 Ni3 110.21(12) . . ?
C135 Ni4 Ni3 46.42(9) . . ?
Si8 Ni4 Ni3 108.17(4) . . ?
Si7 Ni4 Ni3 59.71(3) . . ?
N1 Si1 C49 90.32(14) . . ?
N1 Si1 C7 117.28(15) . . ?
C49 Si1 C7 119.40(14) . . ?
N1 Si1 C1 114.24(14) . . ?
C49 Si1 C1 113.36(14) . . ?
C7 Si1 C1 102.78(15) . . ?
N1 Si1 Si2 43.47(10) . . ?
C49 Si1 Si2 46.91(10) . . ?
C7 Si1 Si2 134.22(10) . . ?
C1 Si1 Si2 122.91(11) . . ?
N1 Si2 C49 90.67(14) . . ?
N1 Si2 C13 110.92(17) . . ?
C49 Si2 C13 118.61(16) . . ?
N1 Si2 C19 116.79(16) . . ?
C49 Si2 C19 116.05(14) . . ?
C13 Si2 C19 104.08(15) . . ?
N1 Si2 Si1 44.05(10) . . ?
C49 Si2 Si1 46.69(9) . . ?
C13 Si2 Si1 124.34(11) . . ?
C19 Si2 Si1 131.28(11) . . ?
C49 Si3 C25 111.72(12) . . ?
C49 Si3 C31 119.78(15) . . ?
C25 Si3 C31 102.54(13) . . ?
C49 Si3 Ni1 55.82(9) . . ?
C25 Si3 Ni1 105.77(9) . . ?
C31 Si3 Ni1 150.48(11) . . ?
C49 Si3 Ni2 111.31(9) . . ?
C25 Si3 Ni2 107.92(11) . . ?
C31 Si3 Ni2 102.55(10) . . ?
Ni1 Si3 Ni2 60.73(4) . . ?
N3 Si4 C37 110.36(14) . . ?
N3 Si4 C43 107.90(14) . . ?
C37 Si4 C43 108.88(16) . . ?
N3 Si4 C59 38.67(10) . . ?
C37 Si4 C59 128.33(15) . . ?
C43 Si4 C59 119.20(14) . . ?
N3 Si4 Ni2 88.92(9) . . ?
C37 Si4 Ni2 118.59(12) . . ?
C43 Si4 Ni2 119.64(12) . . ?
C59 Si4 Ni2 50.53(8) . . ?
N6 Si5 C125 90.23(14) . . ?
N6 Si5 C77 113.28(14) . . ?
C125 Si5 C77 113.59(14) . . ?
N6 Si5 C83 119.26(14) . . ?
C125 Si5 C83 119.58(13) . . ?
C77 Si5 C83 101.58(15) . . ?
N6 Si5 Si6 43.45(9) . . ?
C125 Si5 Si6 46.95(10) . . ?
C77 Si5 Si6 121.10(12) . . ?
C83 Si5 Si6 137.26(10) . . ?
N6 Si6 C125 90.00(14) . . ?
N6 Si6 C89 113.35(14) . . ?
C125 Si6 C89 118.63(16) . . ?
N6 Si6 C95 116.17(18) . . ?
C125 Si6 C95 115.08(14) . . ?
C89 Si6 C95 103.99(18) . . ?
N6 Si6 Si5 43.38(10) . . ?
C125 Si6 Si5 46.79(9) . . ?
C89 Si6 Si5 124.95(12) . . ?
C95 Si6 Si5 130.87(15) . . ?
C125 Si7 C107 115.94(13) . . ?
C125 Si7 C101 110.67(13) . . ?
C107 Si7 C101 104.15(14) . . ?
C125 Si7 Ni4 111.54(9) . . ?
C107 Si7 Ni4 107.66(11) . . ?
C101 Si7 Ni4 106.22(10) . . ?
C125 Si7 Ni3 55.34(9) . . ?
C107 Si7 Ni3 153.46(11) . . ?
C101 Si7 Ni3 102.27(10) . . ?
Ni4 Si7 Ni3 61.83(4) . . ?
N8 Si8 C113 105.64(15) . . ?
N8 Si8 C119 109.39(15) . . ?
C113 Si8 C119 111.01(14) . . ?
N8 Si8 C135 38.27(11) . . ?
C113 Si8 C135 118.57(14) . . ?
C119 Si8 C135 125.91(14) . . ?
N8 Si8 Ni4 88.92(9) . . ?
C113 Si8 Ni4 118.73(12) . . ?
C119 Si8 Ni4 119.32(11) . . ?
C135 Si8 Ni4 50.72(8) . . ?
C50 N1 Si2 134.5(2) . . ?
C50 N1 Si1 132.8(2) . . ?
Si2 N1 Si1 92.48(14) . . ?
C54 N2 C55 179.0(3) . . ?
C59 N3 C60 128.9(2) . . ?
C59 N3 Si4 85.14(16) . . ?
C60 N3 Si4 143.0(2) . . ?
C64 N4 C65 179.5(4) . . ?
C72 N5 C73 165.9(4) . . ?
C126 N6 Si5 133.5(2) . . ?
C126 N6 Si6 133.3(2) . . ?
Si5 N6 Si6 93.17(14) . . ?
C130 N7 C131 177.9(4) . . ?
C135 N8 C136 128.7(3) . . ?
C135 N8 Si8 85.7(2) . . ?
C136 N8 Si8 144.1(2) . . ?
C140 N9 C141 171.4(3) . . ?
C145 N10 C146 177.4(4) . . ?
C2 C1 C6 116.3(3) . . ?
C2 C1 Si1 123.6(2) . . ?
C6 C1 Si1 120.0(2) . . ?
C1 C2 C3 122.2(3) . . ?
C1 C2 H2 118.9 . . ?
C3 C2 H2 118.9 . . ?
C4 C3 C2 120.1(3) . . ?
C4 C3 H3 119.9 . . ?
C2 C3 H3 119.9 . . ?
C3 C4 C5 119.6(3) . . ?
C3 C4 H4 120.2 . . ?
C5 C4 H4 120.2 . . ?
C4 C5 C6 120.1(3) . . ?
C4 C5 H5 120.0 . . ?
C6 C5 H5 120.0 . . ?
C1 C6 C5 121.7(3) . . ?
C1 C6 H6 119.1 . . ?
C5 C6 H6 119.1 . . ?
C8 C7 C12 117.1(3) . . ?
C8 C7 Si1 119.2(2) . . ?
C12 C7 Si1 123.4(3) . . ?
C9 C8 C7 122.0(3) . . ?
C9 C8 H8 119.0 . . ?
C7 C8 H8 119.0 . . ?
C8 C9 C10 119.6(3) . . ?
C8 C9 H9 120.2 . . ?
C10 C9 H9 120.2 . . ?
C11 C10 C9 120.0(3) . . ?
C11 C10 H10 120.0 . . ?
C9 C10 H10 120.0 . . ?
C10 C11 C12 120.6(3) . . ?
C10 C11 H11 119.7 . . ?
C12 C11 H11 119.7 . . ?
C11 C12 C7 120.6(3) . . ?
C11 C12 H12 119.7 . . ?
C7 C12 H12 119.7 . . ?
C14 C13 C18 116.7(3) . . ?
C14 C13 Si2 120.8(3) . . ?
C18 C13 Si2 122.3(3) . . ?
C15 C14 C13 122.0(4) . . ?
C15 C14 H14 119.0 . . ?
C13 C14 H14 119.0 . . ?
C16 C15 C14 120.1(4) . . ?
C16 C15 H15 119.9 . . ?
C14 C15 H15 119.9 . . ?
C15 C16 C17 120.2(4) . . ?
C15 C16 H16 119.9 . . ?
C17 C16 H16 119.9 . . ?
C18 C17 C16 118.9(5) . . ?
C18 C17 H17 120.5 . . ?
C16 C17 H17 120.5 . . ?
C17 C18 C13 122.0(4) . . ?
C17 C18 H18 119.0 . . ?
C13 C18 H18 119.0 . . ?
C24 C19 C20 116.4(3) . . ?
C24 C19 Si2 120.3(3) . . ?
C20 C19 Si2 123.3(2) . . ?
C21 C20 C19 122.0(3) . . ?
C21 C20 H20 119.0 . . ?
C19 C20 H20 119.0 . . ?
C22 C21 C20 120.2(4) . . ?
C22 C21 H21 119.9 . . ?
C20 C21 H21 119.9 . . ?
C21 C22 C23 119.4(3) . . ?
C21 C22 H22 120.3 . . ?
C23 C22 H22 120.3 . . ?
C24 C23 C22 120.5(3) . . ?
C24 C23 H23 119.7 . . ?
C22 C23 H23 119.7 . . ?
C23 C24 C19 121.4(3) . . ?
C23 C24 H24 119.3 . . ?
C19 C24 H24 119.3 . . ?
C26 C25 C30 116.3(3) . . ?
C26 C25 Si3 122.4(2) . . ?
C30 C25 Si3 121.2(2) . . ?
C27 C26 C25 121.9(3) . . ?
C27 C26 H26 119.0 . . ?
C25 C26 H26 119.0 . . ?
C26 C27 C28 120.3(3) . . ?
C26 C27 H27 119.9 . . ?
C28 C27 H27 119.9 . . ?
C29 C28 C27 119.6(3) . . ?
C29 C28 H28 120.2 . . ?
C27 C28 H28 120.2 . . ?
C28 C29 C30 120.1(3) . . ?
C28 C29 H29 120.0 . . ?
C30 C29 H29 120.0 . . ?
C29 C30 C25 121.7(3) . . ?
C29 C30 H30 119.1 . . ?
C25 C30 H30 119.1 . . ?
C32 C31 C36 117.0(3) . . ?
C32 C31 Si3 119.8(3) . . ?
C36 C31 Si3 123.2(3) . . ?
C33 C32 C31 123.7(4) . . ?
C33 C32 H32 118.2 . . ?
C31 C32 H32 118.2 . . ?
C32 C33 C34 118.6(4) . . ?
C32 C33 H33 120.7 . . ?
C34 C33 H33 120.7 . . ?
C35 C34 C33 120.0(3) . . ?
C35 C34 H34 120.0 . . ?
C33 C34 H34 120.0 . . ?
C34 C35 C36 120.4(4) . . ?
C34 C35 H35 119.8 . . ?
C36 C35 H35 119.8 . . ?
C31 C36 C35 120.3(4) . . ?
C31 C36 H36 119.8 . . ?
C35 C36 H36 119.8 . . ?
C42 C37 C38 115.9(3) . . ?
C42 C37 Si4 121.4(3) . . ?
C38 C37 Si4 122.7(3) . . ?
C39 C38 C37 122.0(3) . . ?
C39 C38 H38 119.0 . . ?
C37 C38 H38 119.0 . . ?
C38 C39 C40 120.3(4) . . ?
C38 C39 H39 119.9 . . ?
C40 C39 H39 119.9 . . ?
C41 C40 C39 119.1(4) . . ?
C41 C40 H40 120.4 . . ?
C39 C40 H40 120.4 . . ?
C40 C41 C42 120.4(3) . . ?
C40 C41 H41 119.8 . . ?
C42 C41 H41 119.8 . . ?
C41 C42 C37 122.2(3) . . ?
C41 C42 H42 118.9 . . ?
C37 C42 H42 118.9 . . ?
C48 C43 C44 117.1(4) . . ?
C48 C43 Si4 120.4(3) . . ?
C44 C43 Si4 122.4(4) . . ?
C43 C44 C45 119.2(6) . . ?
C43 C44 H44 120.4 . . ?
C45 C44 H44 120.4 . . ?
C46 C45 C44 121.2(5) . . ?
C46 C45 H45 119.4 . . ?
C44 C45 H45 119.4 . . ?
C47 C46 C45 118.2(5) . . ?
C47 C46 H46 120.9 . . ?
C45 C46 H46 120.9 . . ?
C46 C47 C48 120.5(6) . . ?
C46 C47 H47 119.8 . . ?
C48 C47 H47 119.8 . . ?
C43 C48 C47 123.4(5) . . ?
C43 C48 H48 118.3 . . ?
C47 C48 H48 118.3 . . ?
Si3 C49 Si1 126.13(16) . . ?
Si3 C49 Si2 138.72(16) . . ?
Si1 C49 Si2 86.39(14) . . ?
Si3 C49 Ni1 76.88(11) . . ?
Si1 C49 Ni1 123.62(14) . . ?
Si2 C49 Ni1 107.86(14) . . ?
N1 C50 C51 110.9(3) . . ?
N1 C50 C53 111.5(3) . . ?
C51 C50 C53 108.3(3) . . ?
N1 C50 C52 109.0(3) . . ?
C51 C50 C52 108.9(3) . . ?
C53 C50 C52 108.1(3) . . ?
C50 C51 H51A 109.5 . . ?
C50 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C50 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C50 C52 H52A 109.5 . . ?
C50 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C50 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C50 C53 H53A 109.5 . . ?
C50 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C50 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
N2 C54 Ni1 177.9(2) . . ?
N2 C55 C57 107.4(3) . . ?
N2 C55 C58 108.6(3) . . ?
C57 C55 C58 110.1(3) . . ?
N2 C55 C56 107.1(3) . . ?
C57 C55 C56 112.3(3) . . ?
C58 C55 C56 111.1(3) . . ?
C55 C56 H56A 109.5 . . ?
C55 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C55 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C55 C57 H57A 109.5 . . ?
C55 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
C55 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C55 C58 H58A 109.5 . . ?
C55 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
C55 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
N3 C59 Ni1 151.9(2) . . ?
N3 C59 Ni2 123.8(2) . . ?
Ni1 C59 Ni2 83.96(11) . . ?
N3 C59 Si4 56.20(15) . . ?
Ni1 C59 Si4 149.64(14) . . ?
Ni2 C59 Si4 68.18(10) . . ?
N3 C60 C61 108.7(3) . . ?
N3 C60 C62 107.8(3) . . ?
C61 C60 C62 113.0(3) . . ?
N3 C60 C63 106.6(3) . . ?
C61 C60 C63 110.0(4) . . ?
C62 C60 C63 110.4(3) . . ?
C60 C61 H61A 109.5 . . ?
C60 C61 H61B 109.5 . . ?
H61A C61 H61B 109.5 . . ?
C60 C61 H61C 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C60 C62 H62A 109.5 . . ?
C60 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
C60 C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C60 C63 H63A 109.5 . . ?
C60 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
C60 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
N4 C64 Ni2 176.2(3) . . ?
C71 C65 C67 61.6(6) . . ?
C71 C65 N4 109.7(5) . . ?
C67 C65 N4 115.4(6) . . ?
C71 C65 C70 123.1(6) . . ?
C67 C65 C70 128.4(7) . . ?
N4 C65 C70 109.8(4) . . ?
C71 C65 C68 136.2(7) . . ?
C67 C65 C68 116.4(7) . . ?
N4 C65 C68 109.2(5) . . ?
C70 C65 C68 20.0(4) . . ?
C71 C65 C69 104.0(6) . . ?
C67 C65 C69 42.4(6) . . ?
N4 C65 C69 100.8(5) . . ?
C70 C65 C69 106.8(6) . . ?
C68 C65 C69 87.6(6) . . ?
C71 C65 C66 40.5(6) . . ?
C67 C65 C66 101.7(7) . . ?
N4 C65 C66 98.2(6) . . ?
C70 C65 C66 94.8(6) . . ?
C68 C65 C66 114.3(7) . . ?
C69 C65 C66 144.1(6) . . ?
C71 C66 C65 54.2(8) . . ?
C69 C67 C65 81.6(9) . . ?
C69 C67 C71 139.7(12) . . ?
C65 C67 C71 58.2(6) . . ?
C70 C68 C65 71.4(16) . . ?
C67 C69 C65 56.0(7) . . ?
C68 C70 C65 88.6(17) . . ?
C66 C71 C65 85.4(10) . . ?
C66 C71 C67 144.7(12) . . ?
C65 C71 C67 60.2(7) . . ?
N5 C72 Ni2 173.7(3) . . ?
N5 C73 C74 107.8(4) . . ?
N5 C73 C75 106.9(4) . . ?
C74 C73 C75 124.1(5) . . ?
N5 C73 C76 106.3(4) . . ?
C74 C73 C76 108.0(4) . . ?
C75 C73 C76 102.5(5) . . ?
C73 C74 H74A 109.5 . . ?
C73 C74 H74B 109.5 . . ?
H74A C74 H74B 109.5 . . ?
C73 C74 H74C 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
C73 C75 H75A 109.5 . . ?
C73 C75 H75B 109.5 . . ?
H75A C75 H75B 109.5 . . ?
C73 C75 H75C 109.5 . . ?
H75A C75 H75C 109.5 . . ?
H75B C75 H75C 109.5 . . ?
C73 C76 H76A 109.5 . . ?
C73 C76 H76B 109.5 . . ?
H76A C76 H76B 109.5 . . ?
C73 C76 H76C 109.5 . . ?
H76A C76 H76C 109.5 . . ?
H76B C76 H76C 109.5 . . ?
C78 C77 C82 116.9(3) . . ?
C78 C77 Si5 120.4(2) . . ?
C82 C77 Si5 122.3(3) . . ?
C79 C78 C77 121.7(3) . . ?
C79 C78 H78 119.1 . . ?
C77 C78 H78 119.1 . . ?
C80 C79 C78 120.3(4) . . ?
C80 C79 H79 119.8 . . ?
C78 C79 H79 119.8 . . ?
C79 C80 C81 119.8(3) . . ?
C79 C80 H80 120.1 . . ?
C81 C80 H80 120.1 . . ?
C80 C81 C82 119.9(3) . . ?
C80 C81 H81 120.1 . . ?
C82 C81 H81 120.1 . . ?
C81 C82 C77 121.4(3) . . ?
C81 C82 H82 119.3 . . ?
C77 C82 H82 119.3 . . ?
C84 C83 C88 116.0(3) . . ?
C84 C83 Si5 123.2(2) . . ?
C88 C83 Si5 120.4(3) . . ?
C85 C84 C83 122.2(3) . . ?
C85 C84 H84 118.9 . . ?
C83 C84 H84 118.9 . . ?
C84 C85 C86 120.3(4) . . ?
C84 C85 H85 119.9 . . ?
C86 C85 H85 119.9 . . ?
C87 C86 C85 119.6(4) . . ?
C87 C86 H86 120.2 . . ?
C85 C86 H86 120.2 . . ?
C86 C87 C88 120.5(3) . . ?
C86 C87 H87 119.8 . . ?
C88 C87 H87 119.8 . . ?
C87 C88 C83 121.4(3) . . ?
C87 C88 H88 119.3 . . ?
C83 C88 H88 119.3 . . ?
C90 C89 C94 116.2(4) . . ?
C90 C89 Si6 120.5(3) . . ?
C94 C89 Si6 123.2(3) . . ?
C89 C90 C91 122.1(4) . . ?
C89 C90 H90 119.0 . . ?
C91 C90 H90 119.0 . . ?
C92 C91 C90 119.4(5) . . ?
C92 C91 H91 120.3 . . ?
C90 C91 H91 120.3 . . ?
C93 C92 C91 119.4(5) . . ?
C93 C92 H92 120.3 . . ?
C91 C92 H92 120.3 . . ?
C92 C93 C94 121.2(5) . . ?
C92 C93 H93 119.4 . . ?
C94 C93 H93 119.4 . . ?
C93 C94 C89 121.6(5) . . ?
C93 C94 H94 119.2 . . ?
C89 C94 H94 119.2 . . ?
C96 C95 C100 117.6(4) . . ?
C96 C95 Si6 125.3(3) . . ?
C100 C95 Si6 116.9(4) . . ?
C97 C96 C95 122.5(6) . . ?
C97 C96 H96 118.8 . . ?
C95 C96 H96 118.8 . . ?
C96 C97 C98 119.0(7) . . ?
C96 C97 H97 120.5 . . ?
C98 C97 H97 120.5 . . ?
C99 C98 C97 119.8(5) . . ?
C99 C98 H98 120.1 . . ?
C97 C98 H98 120.1 . . ?
C98 C99 C100 121.7(7) . . ?
C98 C99 H99 119.2 . . ?
C100 C99 H99 119.2 . . ?
C99 C100 C95 119.3(6) . . ?
C99 C100 H100 120.3 . . ?
C95 C100 H100 120.3 . . ?
C102 C101 C106 115.9(3) . . ?
C102 C101 Si7 125.8(2) . . ?
C106 C101 Si7 118.3(2) . . ?
C103 C102 C101 122.4(3) . . ?
C103 C102 H102 118.8 . . ?
C101 C102 H102 118.8 . . ?
C104 C103 C102 120.1(3) . . ?
C104 C103 H103 119.9 . . ?
C102 C103 H103 119.9 . . ?
C103 C104 C105 119.3(3) . . ?
C103 C104 H104 120.3 . . ?
C105 C104 H104 120.3 . . ?
C104 C105 C106 119.9(3) . . ?
C104 C105 H105 120.1 . . ?
C106 C105 H105 120.1 . . ?
C105 C106 C101 122.3(2) . . ?
C105 C106 H106 118.8 . . ?
C101 C106 H106 118.8 . . ?
C108 C107 C112 116.2(3) . . ?
C108 C107 Si7 126.1(3) . . ?
C112 C107 Si7 117.7(3) . . ?
C107 C108 C109 121.9(4) . . ?
C107 C108 H108 119.0 . . ?
C109 C108 H108 119.0 . . ?
C110 C109 C108 120.1(5) . . ?
C110 C109 H109 120.0 . . ?
C108 C109 H109 120.0 . . ?
C111 C110 C109 119.5(4) . . ?
C111 C110 H110 120.3 . . ?
C109 C110 H110 120.3 . . ?
C110 C111 C112 120.3(4) . . ?
C110 C111 H111 119.9 . . ?
C112 C111 H111 119.9 . . ?
C111 C112 C107 122.1(4) . . ?
C111 C112 H112 119.0 . . ?
C107 C112 H112 119.0 . . ?
C114 C113 C118 117.8(3) . . ?
C114 C113 Si8 119.4(2) . . ?
C118 C113 Si8 122.5(3) . . ?
C113 C114 C115 121.7(3) . . ?
C113 C114 H114 119.2 . . ?
C115 C114 H114 119.2 . . ?
C116 C115 C114 118.7(3) . . ?
C116 C115 H115 120.6 . . ?
C114 C115 H115 120.6 . . ?
C117 C116 C115 120.7(3) . . ?
C117 C116 H116 119.7 . . ?
C115 C116 H116 119.7 . . ?
C116 C117 C118 120.3(3) . . ?
C116 C117 H117 119.9 . . ?
C118 C117 H117 119.9 . . ?
C117 C118 C113 120.9(4) . . ?
C117 C118 H118 119.6 . . ?
C113 C118 H118 119.6 . . ?
C124 C119 C120 117.9(3) . . ?
C124 C119 Si8 121.7(3) . . ?
C120 C119 Si8 120.4(3) . . ?
C121 C120 C119 120.8(4) . . ?
C121 C120 H120 119.6 . . ?
C119 C120 H120 119.6 . . ?
C122 C121 C120 120.0(4) . . ?
C122 C121 H121 120.0 . . ?
C120 C121 H121 120.0 . . ?
C123 C122 C121 120.5(4) . . ?
C123 C122 H122 119.7 . . ?
C121 C122 H122 119.7 . . ?
C122 C123 C124 119.4(4) . . ?
C122 C123 H123 120.3 . . ?
C124 C123 H123 120.3 . . ?
C119 C124 C123 121.3(4) . . ?
C119 C124 H124 119.4 . . ?
C123 C124 H124 119.4 . . ?
Si7 C125 Si5 132.20(16) . . ?
Si7 C125 Si6 134.00(18) . . ?
Si5 C125 Si6 86.26(13) . . ?
Si7 C125 Ni3 78.06(10) . . ?
Si5 C125 Ni3 126.07(15) . . ?
Si6 C125 Ni3 100.24(13) . . ?
N6 C126 C129 110.3(3) . . ?
N6 C126 C128 109.5(3) . . ?
C129 C126 C128 108.9(3) . . ?
N6 C126 C127 110.9(3) . . ?
C129 C126 C127 109.0(3) . . ?
C128 C126 C127 108.2(4) . . ?
C126 C127 H12A 109.5 . . ?
C126 C127 H12B 109.5 . . ?
H12A C127 H12B 109.5 . . ?
C126 C127 H12C 109.5 . . ?
H12A C127 H12C 109.5 . . ?
H12B C127 H12C 109.5 . . ?
C126 C128 H12D 109.5 . . ?
C126 C128 H12E 109.5 . . ?
H12D C128 H12E 109.5 . . ?
C126 C128 H12F 109.5 . . ?
H12D C128 H12F 109.5 . . ?
H12E C128 H12F 109.5 . . ?
C126 C129 H12G 109.5 . . ?
C126 C129 H12H 109.5 . . ?
H12G C129 H12H 109.5 . . ?
C126 C129 H12I 109.5 . . ?
H12G C129 H12I 109.5 . . ?
H12H C129 H12I 109.5 . . ?
N7 C130 Ni3 177.7(4) . . ?
N7 C131 C134 107.5(3) . . ?
N7 C131 C132 107.8(5) . . ?
C134 C131 C132 111.1(5) . . ?
N7 C131 C133 106.9(4) . . ?
C134 C131 C133 111.5(5) . . ?
C132 C131 C133 111.7(5) . . ?
C131 C132 H13A 109.5 . . ?
C131 C132 H13B 109.5 . . ?
H13A C132 H13B 109.5 . . ?
C131 C132 H13C 109.5 . . ?
H13A C132 H13C 109.5 . . ?
H13B C132 H13C 109.5 . . ?
C131 C133 H13D 109.5 . . ?
C131 C133 H13E 109.5 . . ?
H13D C133 H13E 109.5 . . ?
C131 C133 H13F 109.5 . . ?
H13D C133 H13F 109.5 . . ?
H13E C133 H13F 109.5 . . ?
C131 C134 H13G 109.5 . . ?
C131 C134 H13H 109.5 . . ?
H13G C134 H13H 109.5 . . ?
C131 C134 H13I 109.5 . . ?
H13G C134 H13I 109.5 . . ?
H13H C134 H13I 109.5 . . ?
N8 C135 Ni3 151.6(3) . . ?
N8 C135 Ni4 123.4(2) . . ?
Ni3 C135 Ni4 84.92(12) . . ?
N8 C135 Si8 56.06(16) . . ?
Ni3 C135 Si8 152.30(17) . . ?
Ni4 C135 Si8 67.49(11) . . ?
N8 C136 C139 108.6(3) . . ?
N8 C136 C138 108.8(3) . . ?
C139 C136 C138 112.8(3) . . ?
N8 C136 C137 105.9(3) . . ?
C139 C136 C137 110.2(3) . . ?
C138 C136 C137 110.4(3) . . ?
C136 C137 H13J 109.5 . . ?
C136 C137 H13K 109.5 . . ?
H13J C137 H13K 109.5 . . ?
C136 C137 H13L 109.5 . . ?
H13J C137 H13L 109.5 . . ?
H13K C137 H13L 109.5 . . ?
C136 C138 H13M 109.5 . . ?
C136 C138 H13N 109.5 . . ?
H13M C138 H13N 109.5 . . ?
C136 C138 H13O 109.5 . . ?
H13M C138 H13O 109.5 . . ?
H13N C138 H13O 109.5 . . ?
C136 C139 H13P 109.5 . . ?
C136 C139 H13Q 109.5 . . ?
H13P C139 H13Q 109.5 . . ?
C136 C139 H13R 109.5 . . ?
H13P C139 H13R 109.5 . . ?
H13Q C139 H13R 109.5 . . ?
N9 C140 Ni4 177.9(3) . . ?
N9 C141 C143 107.7(3) . . ?
N9 C141 C144 108.0(3) . . ?
C143 C141 C144 110.8(3) . . ?
N9 C141 C142 107.3(3) . . ?
C143 C141 C142 111.2(3) . . ?
C144 C141 C142 111.6(3) . . ?
C141 C142 H14A 109.5 . . ?
C141 C142 H14B 109.5 . . ?
H14A C142 H14B 109.5 . . ?
C141 C142 H14C 109.5 . . ?
H14A C142 H14C 109.5 . . ?
H14B C142 H14C 109.5 . . ?
C141 C143 H14D 109.5 . . ?
C141 C143 H14E 109.5 . . ?
H14D C143 H14E 109.5 . . ?
C141 C143 H14F 109.5 . . ?
H14D C143 H14F 109.5 . . ?
H14E C143 H14F 109.5 . . ?
C141 C144 H14G 109.5 . . ?
C141 C144 H14H 109.5 . . ?
H14G C144 H14H 109.5 . . ?
C141 C144 H14I 109.5 . . ?
H14G C144 H14I 109.5 . . ?
H14H C144 H14I 109.5 . . ?
N10 C145 Ni4 175.7(3) . . ?
N10 C146 C148 109.3(4) . . ?
N10 C146 C149 107.7(3) . . ?
C148 C146 C149 111.3(4) . . ?
N10 C146 C147 106.1(3) . . ?
C148 C146 C147 112.8(4) . . ?
C149 C146 C147 109.3(5) . . ?
C146 C147 H14J 109.5 . . ?
C146 C147 H14K 109.5 . . ?
H14J C147 H14K 109.5 . . ?
C146 C147 H14L 109.5 . . ?
H14J C147 H14L 109.5 . . ?
H14K C147 H14L 109.5 . . ?
C146 C148 H14M 109.5 . . ?
C146 C148 H14N 109.5 . . ?
H14M C148 H14N 109.5 . . ?
C146 C148 H14O 109.5 . . ?
H14M C148 H14O 109.5 . . ?
H14N C148 H14O 109.5 . . ?
C146 C149 H14P 109.5 . . ?
C146 C149 H14Q 109.5 . . ?
H14P C149 H14Q 109.5 . . ?
C146 C149 H14R 109.5 . . ?
H14P C149 H14R 109.5 . . ?
H14Q C149 H14R 109.5 . . ?
C152 C151 C150 109.6(8) . . ?
C153 C152 C151 109.7(7) . . ?
C152 C153 C154 108.3(8) . . ?
C156 C155 C157 117.4(12) . . ?
C155 C156 C156 116.3(12) . 2_656 ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C49 Si2 N1 C50 176.9(3) . . . . ?
C13 Si2 N1 C50 55.8(4) . . . . ?
C19 Si2 N1 C50 -63.2(3) . . . . ?
Si1 Si2 N1 C50 174.0(4) . . . . ?
C49 Si2 N1 Si1 2.89(12) . . . . ?
C13 Si2 N1 Si1 -118.25(16) . . . . ?
C19 Si2 N1 Si1 122.75(14) . . . . ?
C49 Si1 N1 C50 -177.1(3) . . . . ?
C7 Si1 N1 C50 59.2(3) . . . . ?
C1 Si1 N1 C50 -61.2(3) . . . . ?
Si2 Si1 N1 C50 -174.2(4) . . . . ?
C49 Si1 N1 Si2 -2.90(12) . . . . ?
C7 Si1 N1 Si2 -126.63(14) . . . . ?
C1 Si1 N1 Si2 113.03(15) . . . . ?
C37 Si4 N3 C59 126.5(2) . . . . ?
C43 Si4 N3 C59 -114.6(2) . . . . ?
Ni2 Si4 N3 C59 6.27(19) . . . . ?
C37 Si4 N3 C60 -74.3(5) . . . . ?
C43 Si4 N3 C60 44.6(5) . . . . ?
C59 Si4 N3 C60 159.2(6) . . . . ?
Ni2 Si4 N3 C60 165.5(4) . . . . ?
C125 Si5 N6 C126 -178.9(3) . . . . ?
C77 Si5 N6 C126 65.1(3) . . . . ?
C83 Si5 N6 C126 -54.3(3) . . . . ?
Si6 Si5 N6 C126 176.5(4) . . . . ?
C125 Si5 N6 Si6 4.62(12) . . . . ?
C77 Si5 N6 Si6 -111.32(14) . . . . ?
C83 Si5 N6 Si6 129.24(14) . . . . ?
C125 Si6 N6 C126 178.9(3) . . . . ?
C89 Si6 N6 C126 -59.6(3) . . . . ?
C95 Si6 N6 C126 60.7(3) . . . . ?
Si5 Si6 N6 C126 -176.5(4) . . . . ?
C125 Si6 N6 Si5 -4.61(12) . . . . ?
C89 Si6 N6 Si5 116.85(16) . . . . ?
C95 Si6 N6 Si5 -122.79(16) . . . . ?
C113 Si8 N8 C135 -116.5(2) . . . . ?
C119 Si8 N8 C135 123.90(19) . . . . ?
Ni4 Si8 N8 C135 3.06(16) . . . . ?
C113 Si8 N8 C136 47.9(4) . . . . ?
C119 Si8 N8 C136 -71.6(4) . . . . ?
C135 Si8 N8 C136 164.5(5) . . . . ?
Ni4 Si8 N8 C136 167.5(4) . . . . ?
N1 Si1 C1 C2 119.1(3) . . . . ?
C49 Si1 C1 C2 -139.3(3) . . . . ?
C7 Si1 C1 C2 -9.0(3) . . . . ?
Si2 Si1 C1 C2 168.1(2) . . . . ?
N1 Si1 C1 C6 -64.5(3) . . . . ?
C49 Si1 C1 C6 37.1(3) . . . . ?
C7 Si1 C1 C6 167.3(3) . . . . ?
Si2 Si1 C1 C6 -15.6(3) . . . . ?
C6 C1 C2 C3 1.1(5) . . . . ?
Si1 C1 C2 C3 177.5(3) . . . . ?
C1 C2 C3 C4 -1.4(5) . . . . ?
C2 C3 C4 C5 0.2(6) . . . . ?
C3 C4 C5 C6 1.1(6) . . . . ?
C2 C1 C6 C5 0.3(5) . . . . ?
Si1 C1 C6 C5 -176.3(3) . . . . ?
C4 C5 C6 C1 -1.3(5) . . . . ?
N1 Si1 C7 C8 130.5(2) . . . . ?
C49 Si1 C7 C8 23.1(3) . . . . ?
C1 Si1 C7 C8 -103.3(3) . . . . ?
Si2 Si1 C7 C8 80.1(3) . . . . ?
N1 Si1 C7 C12 -56.4(3) . . . . ?
C49 Si1 C7 C12 -163.7(2) . . . . ?
C1 Si1 C7 C12 69.8(3) . . . . ?
Si2 Si1 C7 C12 -106.8(3) . . . . ?
C12 C7 C8 C9 -1.1(4) . . . . ?
Si1 C7 C8 C9 172.5(2) . . . . ?
C7 C8 C9 C10 1.0(5) . . . . ?
C8 C9 C10 C11 -0.3(5) . . . . ?
C9 C10 C11 C12 -0.2(5) . . . . ?
C10 C11 C12 C7 0.0(5) . . . . ?
C8 C7 C12 C11 0.6(4) . . . . ?
Si1 C7 C12 C11 -172.7(3) . . . . ?
N1 Si2 C13 C14 26.5(4) . . . . ?
C49 Si2 C13 C14 -76.4(4) . . . . ?
C19 Si2 C13 C14 152.9(4) . . . . ?
Si1 Si2 C13 C14 -21.4(5) . . . . ?
N1 Si2 C13 C18 -159.6(4) . . . . ?
C49 Si2 C13 C18 97.5(4) . . . . ?
C19 Si2 C13 C18 -33.2(4) . . . . ?
Si1 Si2 C13 C18 152.5(3) . . . . ?
C18 C13 C14 C15 0.7(8) . . . . ?
Si2 C13 C14 C15 175.0(5) . . . . ?
C13 C14 C15 C16 -2.3(10) . . . . ?
C14 C15 C16 C17 1.5(12) . . . . ?
C15 C16 C17 C18 0.7(12) . . . . ?
C16 C17 C18 C13 -2.3(10) . . . . ?
C14 C13 C18 C17 1.6(8) . . . . ?
Si2 C13 C18 C17 -172.5(5) . . . . ?
N1 Si2 C19 C24 -160.7(2) . . . . ?
C49 Si2 C19 C24 -55.5(3) . . . . ?
C13 Si2 C19 C24 76.7(3) . . . . ?
Si1 Si2 C19 C24 -109.6(2) . . . . ?
N1 Si2 C19 C20 19.8(3) . . . . ?
C49 Si2 C19 C20 125.0(3) . . . . ?
C13 Si2 C19 C20 -102.8(3) . . . . ?
Si1 Si2 C19 C20 70.9(3) . . . . ?
C24 C19 C20 C21 -1.0(5) . . . . ?
Si2 C19 C20 C21 178.5(3) . . . . ?
C19 C20 C21 C22 1.1(5) . . . . ?
C20 C21 C22 C23 -1.2(6) . . . . ?
C21 C22 C23 C24 1.4(6) . . . . ?
C22 C23 C24 C19 -1.4(5) . . . . ?
C20 C19 C24 C23 1.2(5) . . . . ?
Si2 C19 C24 C23 -178.4(3) . . . . ?
C49 Si3 C25 C26 -88.1(3) . . . . ?
C31 Si3 C25 C26 41.4(3) . . . . ?
Ni1 Si3 C25 C26 -147.0(2) . . . . ?
Ni2 Si3 C25 C26 149.2(2) . . . . ?
C49 Si3 C25 C30 92.5(2) . . . . ?
C31 Si3 C25 C30 -138.0(2) . . . . ?
Ni1 Si3 C25 C30 33.5(2) . . . . ?
Ni2 Si3 C25 C30 -30.2(2) . . . . ?
C30 C25 C26 C27 -0.4(4) . . . . ?
Si3 C25 C26 C27 -179.9(2) . . . . ?
C25 C26 C27 C28 0.9(5) . . . . ?
C26 C27 C28 C29 -1.5(5) . . . . ?
C27 C28 C29 C30 1.6(5) . . . . ?
C28 C29 C30 C25 -1.2(5) . . . . ?
C26 C25 C30 C29 0.6(4) . . . . ?
Si3 C25 C30 C29 -180.0(2) . . . . ?
C49 Si3 C31 C32 158.3(3) . . . . ?
C25 Si3 C31 C32 34.0(3) . . . . ?
Ni1 Si3 C31 C32 -129.3(3) . . . . ?
Ni2 Si3 C31 C32 -77.9(3) . . . . ?
C49 Si3 C31 C36 -21.2(3) . . . . ?
C25 Si3 C31 C36 -145.5(3) . . . . ?
Ni1 Si3 C31 C36 51.2(4) . . . . ?
Ni2 Si3 C31 C36 102.6(3) . . . . ?
C36 C31 C32 C33 0.2(5) . . . . ?
Si3 C31 C32 C33 -179.4(3) . . . . ?
C31 C32 C33 C34 -0.4(6) . . . . ?
C32 C33 C34 C35 0.9(7) . . . . ?
C33 C34 C35 C36 -1.2(7) . . . . ?
C32 C31 C36 C35 -0.5(5) . . . . ?
Si3 C31 C36 C35 179.1(3) . . . . ?
C34 C35 C36 C31 1.0(7) . . . . ?
N3 Si4 C37 C42 169.2(3) . . . . ?
C43 Si4 C37 C42 50.9(3) . . . . ?
C59 Si4 C37 C42 -151.0(2) . . . . ?
Ni2 Si4 C37 C42 -90.5(3) . . . . ?
N3 Si4 C37 C38 -12.8(4) . . . . ?
C43 Si4 C37 C38 -131.1(3) . . . . ?
C59 Si4 C37 C38 27.0(4) . . . . ?
Ni2 Si4 C37 C38 87.5(3) . . . . ?
C42 C37 C38 C39 -2.0(6) . . . . ?
Si4 C37 C38 C39 179.9(4) . . . . ?
C37 C38 C39 C40 1.0(7) . . . . ?
C38 C39 C40 C41 0.8(7) . . . . ?
C39 C40 C41 C42 -1.5(6) . . . . ?
C40 C41 C42 C37 0.3(6) . . . . ?
C38 C37 C42 C41 1.4(5) . . . . ?
Si4 C37 C42 C41 179.5(3) . . . . ?
N3 Si4 C43 C48 73.5(3) . . . . ?
C37 Si4 C43 C48 -166.7(3) . . . . ?
C59 Si4 C43 C48 32.9(4) . . . . ?
Ni2 Si4 C43 C48 -25.8(3) . . . . ?
N3 Si4 C43 C44 -105.8(4) . . . . ?
C37 Si4 C43 C44 13.9(4) . . . . ?
C59 Si4 C43 C44 -146.4(3) . . . . ?
Ni2 Si4 C43 C44 154.9(3) . . . . ?
C48 C43 C44 C45 3.8(8) . . . . ?
Si4 C43 C44 C45 -176.8(5) . . . . ?
C43 C44 C45 C46 -0.8(10) . . . . ?
C44 C45 C46 C47 -4.9(10) . . . . ?
C45 C46 C47 C48 7.4(9) . . . . ?
C44 C43 C48 C47 -1.4(7) . . . . ?
Si4 C43 C48 C47 179.2(4) . . . . ?
C46 C47 C48 C43 -4.4(9) . . . . ?
C25 Si3 C49 Si1 27.5(2) . . . . ?
C31 Si3 C49 Si1 -92.32(19) . . . . ?
Ni1 Si3 C49 Si1 122.25(18) . . . . ?
Ni2 Si3 C49 Si1 148.21(13) . . . . ?
C25 Si3 C49 Si2 163.0(2) . . . . ?
C31 Si3 C49 Si2 43.2(3) . . . . ?
Ni1 Si3 C49 Si2 -102.2(2) . . . . ?
Ni2 Si3 C49 Si2 -76.3(2) . . . . ?
C25 Si3 C49 Ni1 -94.77(12) . . . . ?
C31 Si3 C49 Ni1 145.42(12) . . . . ?
Ni2 Si3 C49 Ni1 25.96(9) . . . . ?
N1 Si1 C49 Si3 155.14(17) . . . . ?
C7 Si1 C49 Si3 -82.9(2) . . . . ?
C1 Si1 C49 Si3 38.4(2) . . . . ?
Si2 Si1 C49 Si3 152.4(2) . . . . ?
N1 Si1 C49 Si2 2.73(11) . . . . ?
C7 Si1 C49 Si2 124.69(13) . . . . ?
C1 Si1 C49 Si2 -113.98(14) . . . . ?
N1 Si1 C49 Ni1 -106.37(19) . . . . ?
C7 Si1 C49 Ni1 15.6(2) . . . . ?
C1 Si1 C49 Ni1 136.92(17) . . . . ?
Si2 Si1 C49 Ni1 -109.1(2) . . . . ?
N1 Si2 C49 Si3 -148.2(2) . . . . ?
C13 Si2 C49 Si3 -33.8(3) . . . . ?
C19 Si2 C49 Si3 91.3(2) . . . . ?
Si1 Si2 C49 Si3 -145.4(3) . . . . ?
N1 Si2 C49 Si1 -2.76(12) . . . . ?
C13 Si2 C49 Si1 111.64(17) . . . . ?
C19 Si2 C49 Si1 -123.25(14) . . . . ?
N1 Si2 C49 Ni1 121.47(15) . . . . ?
C13 Si2 C49 Ni1 -124.13(17) . . . . ?
C19 Si2 C49 Ni1 0.98(19) . . . . ?
Si1 Si2 C49 Ni1 124.23(17) . . . . ?
Si2 N1 C50 C51 107.8(4) . . . . ?
Si1 N1 C50 C51 -80.3(4) . . . . ?
Si2 N1 C50 C53 -12.9(5) . . . . ?
Si1 N1 C50 C53 158.9(3) . . . . ?
Si2 N1 C50 C52 -132.2(3) . . . . ?
Si1 N1 C50 C52 39.6(5) . . . . ?
C60 N3 C59 Ni1 -2.0(8) . . . . ?
Si4 N3 C59 Ni1 162.0(5) . . . . ?
C60 N3 C59 Ni2 -173.2(3) . . . . ?
Si4 N3 C59 Ni2 -9.1(3) . . . . ?
C60 N3 C59 Si4 -164.1(4) . . . . ?
C54 Ni1 C59 N3 3.3(6) . . . . ?
C49 Ni1 C59 N3 -173.1(4) . . . . ?
Si3 Ni1 C59 N3 168.6(5) . . . . ?
Ni2 Ni1 C59 N3 -172.6(6) . . . . ?
C54 Ni1 C59 Ni2 175.88(11) . . . . ?
C49 Ni1 C59 Ni2 -0.5(3) . . . . ?
Si3 Ni1 C59 Ni2 -18.75(12) . . . . ?
C54 Ni1 C59 Si4 152.8(3) . . . . ?
C49 Ni1 C59 Si4 -23.6(6) . . . . ?
Si3 Ni1 C59 Si4 -41.8(4) . . . . ?
Ni2 Ni1 C59 Si4 -23.1(3) . . . . ?
C72 Ni2 C59 N3 88.4(3) . . . . ?
C64 Ni2 C59 N3 -68.2(3) . . . . ?
Si4 Ni2 C59 N3 8.1(2) . . . . ?
Si3 Ni2 C59 N3 -165.8(3) . . . . ?
Ni1 Ni2 C59 N3 175.8(4) . . . . ?
C72 Ni2 C59 Ni1 -87.46(18) . . . . ?
C64 Ni2 C59 Ni1 116.00(15) . . . . ?
Si4 Ni2 C59 Ni1 -167.69(15) . . . . ?
Si3 Ni2 C59 Ni1 18.40(12) . . . . ?
C72 Ni2 C59 Si4 80.23(17) . . . . ?
C64 Ni2 C59 Si4 -76.31(16) . . . . ?
Si3 Ni2 C59 Si4 -173.92(5) . . . . ?
Ni1 Ni2 C59 Si4 167.69(15) . . . . ?
C59 N3 C60 C61 60.4(5) . . . . ?
Si4 N3 C60 C61 -92.6(4) . . . . ?
C59 N3 C60 C62 -62.5(5) . . . . ?
Si4 N3 C60 C62 144.5(4) . . . . ?
C59 N3 C60 C63 178.9(4) . . . . ?
Si4 N3 C60 C63 26.0(6) . . . . ?
C67 C65 C66 C71 7.3(11) . . . . ?
N4 C65 C66 C71 -110.9(9) . . . . ?
C70 C65 C66 C71 138.3(9) . . . . ?
C68 C65 C66 C71 133.7(10) . . . . ?
C69 C65 C66 C71 10.6(15) . . . . ?
C71 C65 C67 C69 -177.4(11) . . . . ?
N4 C65 C67 C69 -77.7(9) . . . . ?
C70 C65 C67 C69 71.2(11) . . . . ?
C68 C65 C67 C69 52.2(11) . . . . ?
C66 C65 C67 C69 177.2(9) . . . . ?
N4 C65 C67 C71 99.7(7) . . . . ?
C70 C65 C67 C71 -111.4(8) . . . . ?
C68 C65 C67 C71 -130.4(8) . . . . ?
C69 C65 C67 C71 177.4(11) . . . . ?
C66 C65 C67 C71 -5.4(8) . . . . ?
C71 C65 C68 C70 56(2) . . . . ?
C67 C65 C68 C70 131.8(17) . . . . ?
N4 C65 C68 C70 -95.4(17) . . . . ?
C69 C65 C68 C70 164.0(18) . . . . ?
C66 C65 C68 C70 13.5(19) . . . . ?
C71 C67 C69 C65 -3.4(14) . . . . ?
C71 C65 C69 C67 2.4(10) . . . . ?
N4 C65 C69 C67 116.1(9) . . . . ?
C70 C65 C69 C67 -129.2(9) . . . . ?
C68 C65 C69 C67 -134.9(10) . . . . ?
C66 C65 C69 C67 -4.7(15) . . . . ?
C71 C65 C70 C68 -136.6(17) . . . . ?
C67 C65 C70 C68 -59(2) . . . . ?
N4 C65 C70 C68 91.8(18) . . . . ?
C69 C65 C70 C68 -16.7(18) . . . . ?
C66 C65 C70 C68 -167.7(18) . . . . ?
C65 C66 C71 C67 -12.3(18) . . . . ?
C67 C65 C71 C66 -171.8(12) . . . . ?
N4 C65 C71 C66 79.2(10) . . . . ?
C70 C65 C71 C66 -52.4(11) . . . . ?
C68 C65 C71 C66 -72.2(13) . . . . ?
C69 C65 C71 C66 -173.6(9) . . . . ?
N4 C65 C71 C67 -109.0(7) . . . . ?
C70 C65 C71 C67 119.4(9) . . . . ?
C68 C65 C71 C67 99.6(11) . . . . ?
C69 C65 C71 C67 -1.8(8) . . . . ?
C66 C65 C71 C67 171.8(12) . . . . ?
C69 C67 C71 C66 18(3) . . . . ?
C65 C67 C71 C66 14(2) . . . . ?
C69 C67 C71 C65 4.0(17) . . . . ?
C72 N5 C73 C74 -83.9(16) . . . . ?
C72 N5 C73 C75 140.6(14) . . . . ?
C72 N5 C73 C76 31.6(17) . . . . ?
N6 Si5 C77 C78 -161.6(3) . . . . ?
C125 Si5 C77 C78 97.3(3) . . . . ?
C83 Si5 C77 C78 -32.5(3) . . . . ?
Si6 Si5 C77 C78 150.0(2) . . . . ?
N6 Si5 C77 C82 26.0(3) . . . . ?
C125 Si5 C77 C82 -75.1(3) . . . . ?
C83 Si5 C77 C82 155.2(3) . . . . ?
Si6 Si5 C77 C82 -22.4(3) . . . . ?
C82 C77 C78 C79 0.2(5) . . . . ?
Si5 C77 C78 C79 -172.6(3) . . . . ?
C77 C78 C79 C80 1.1(6) . . . . ?
C78 C79 C80 C81 -1.1(6) . . . . ?
C79 C80 C81 C82 -0.1(6) . . . . ?
C80 C81 C82 C77 1.3(6) . . . . ?
C78 C77 C82 C81 -1.4(5) . . . . ?
Si5 C77 C82 C81 171.2(3) . . . . ?
N6 Si5 C83 C84 62.8(3) . . . . ?
C125 Si5 C83 C84 171.7(3) . . . . ?
C77 Si5 C83 C84 -62.4(3) . . . . ?
Si6 Si5 C83 C84 114.5(3) . . . . ?
N6 Si5 C83 C88 -124.9(3) . . . . ?
C125 Si5 C83 C88 -16.1(3) . . . . ?
C77 Si5 C83 C88 109.8(3) . . . . ?
Si6 Si5 C83 C88 -73.2(3) . . . . ?
C88 C83 C84 C85 0.9(6) . . . . ?
Si5 C83 C84 C85 173.4(4) . . . . ?
C83 C84 C85 C86 0.1(7) . . . . ?
C84 C85 C86 C87 -1.9(8) . . . . ?
C85 C86 C87 C88 2.7(7) . . . . ?
C86 C87 C88 C83 -1.7(6) . . . . ?
C84 C83 C88 C87 -0.1(5) . . . . ?
Si5 C83 C88 C87 -172.9(3) . . . . ?
N6 Si6 C89 C90 -73.5(3) . . . . ?
C125 Si6 C89 C90 30.1(3) . . . . ?
C95 Si6 C89 C90 159.5(3) . . . . ?
Si5 Si6 C89 C90 -25.1(3) . . . . ?
N6 Si6 C89 C94 102.1(3) . . . . ?
C125 Si6 C89 C94 -154.3(3) . . . . ?
C95 Si6 C89 C94 -25.0(3) . . . . ?
Si5 Si6 C89 C94 150.5(3) . . . . ?
C94 C89 C90 C91 -0.9(5) . . . . ?
Si6 C89 C90 C91 175.0(3) . . . . ?
C89 C90 C91 C92 1.2(6) . . . . ?
C90 C91 C92 C93 -0.4(7) . . . . ?
C91 C92 C93 C94 -0.7(7) . . . . ?
C92 C93 C94 C89 1.0(7) . . . . ?
C90 C89 C94 C93 -0.2(6) . . . . ?
Si6 C89 C94 C93 -175.9(3) . . . . ?
N6 Si6 C95 C96 5.4(4) . . . . ?
C125 Si6 C95 C96 -97.9(3) . . . . ?
C89 Si6 C95 C96 130.7(3) . . . . ?
Si5 Si6 C95 C96 -44.4(4) . . . . ?
N6 Si6 C95 C100 -179.4(3) . . . . ?
C125 Si6 C95 C100 77.3(3) . . . . ?
C89 Si6 C95 C100 -54.1(3) . . . . ?
Si5 Si6 C95 C100 130.8(3) . . . . ?
C100 C95 C96 C97 -0.7(6) . . . . ?
Si6 C95 C96 C97 174.5(4) . . . . ?
C95 C96 C97 C98 0.3(8) . . . . ?
C96 C97 C98 C99 0.0(9) . . . . ?
C97 C98 C99 C100 0.0(9) . . . . ?
C98 C99 C100 C95 -0.4(7) . . . . ?
C96 C95 C100 C99 0.7(6) . . . . ?
Si6 C95 C100 C99 -174.9(3) . . . . ?
C125 Si7 C101 C102 100.6(2) . . . . ?
C107 Si7 C101 C102 -24.6(3) . . . . ?
Ni4 Si7 C101 C102 -138.1(2) . . . . ?
Ni3 Si7 C101 C102 158.0(2) . . . . ?
C125 Si7 C101 C106 -80.2(2) . . . . ?
C107 Si7 C101 C106 154.6(2) . . . . ?
Ni4 Si7 C101 C106 41.1(2) . . . . ?
Ni3 Si7 C101 C106 -22.8(2) . . . . ?
C106 C101 C102 C103 0.1(4) . . . . ?
Si7 C101 C102 C103 179.3(2) . . . . ?
C101 C102 C103 C104 -0.4(4) . . . . ?
C102 C103 C104 C105 0.6(4) . . . . ?
C103 C104 C105 C106 -0.6(4) . . . . ?
C104 C105 C106 C101 0.4(4) . . . . ?
C102 C101 C106 C105 -0.1(4) . . . . ?
Si7 C101 C106 C105 -179.4(2) . . . . ?
C125 Si7 C107 C108 124.2(3) . . . . ?
C101 Si7 C107 C108 -114.0(3) . . . . ?
Ni4 Si7 C107 C108 -1.5(3) . . . . ?
Ni3 Si7 C107 C108 60.4(4) . . . . ?
C125 Si7 C107 C112 -57.9(3) . . . . ?
C101 Si7 C107 C112 63.9(3) . . . . ?
Ni4 Si7 C107 C112 176.4(2) . . . . ?
Ni3 Si7 C107 C112 -121.7(3) . . . . ?
C112 C107 C108 C109 -0.9(5) . . . . ?
Si7 C107 C108 C109 177.0(3) . . . . ?
C107 C108 C109 C110 0.3(7) . . . . ?
C108 C109 C110 C111 0.5(7) . . . . ?
C109 C110 C111 C112 -0.7(7) . . . . ?
C110 C111 C112 C107 0.0(6) . . . . ?
C108 C107 C112 C111 0.8(5) . . . . ?
Si7 C107 C112 C111 -177.4(3) . . . . ?
N8 Si8 C113 C114 67.8(3) . . . . ?
C119 Si8 C113 C114 -173.7(3) . . . . ?
C135 Si8 C113 C114 28.7(3) . . . . ?
Ni4 Si8 C113 C114 -29.7(3) . . . . ?
N8 Si8 C113 C118 -104.9(3) . . . . ?
C119 Si8 C113 C118 13.6(4) . . . . ?
C135 Si8 C113 C118 -144.0(3) . . . . ?
Ni4 Si8 C113 C118 157.6(3) . . . . ?
C118 C113 C114 C115 1.1(6) . . . . ?
Si8 C113 C114 C115 -171.9(3) . . . . ?
C113 C114 C115 C116 -1.4(6) . . . . ?
C114 C115 C116 C117 0.4(7) . . . . ?
C115 C116 C117 C118 0.8(7) . . . . ?
C116 C117 C118 C113 -1.1(7) . . . . ?
C114 C113 C118 C117 0.1(6) . . . . ?
Si8 C113 C118 C117 172.9(4) . . . . ?
N8 Si8 C119 C124 -20.2(3) . . . . ?
C113 Si8 C119 C124 -136.4(3) . . . . ?
C135 Si8 C119 C124 19.2(4) . . . . ?
Ni4 Si8 C119 C124 79.8(3) . . . . ?
N8 Si8 C119 C120 162.6(2) . . . . ?
C113 Si8 C119 C120 46.4(3) . . . . ?
C135 Si8 C119 C120 -158.0(2) . . . . ?
Ni4 Si8 C119 C120 -97.4(3) . . . . ?
C124 C119 C120 C121 2.2(5) . . . . ?
Si8 C119 C120 C121 179.5(3) . . . . ?
C119 C120 C121 C122 -0.3(6) . . . . ?
C120 C121 C122 C123 -1.3(6) . . . . ?
C121 C122 C123 C124 0.8(7) . . . . ?
C120 C119 C124 C123 -2.7(5) . . . . ?
Si8 C119 C124 C123 -179.9(3) . . . . ?
C122 C123 C124 C119 1.2(6) . . . . ?
C107 Si7 C125 Si5 80.8(2) . . . . ?
C101 Si7 C125 Si5 -37.5(2) . . . . ?
Ni4 Si7 C125 Si5 -155.51(16) . . . . ?
Ni3 Si7 C125 Si5 -128.4(2) . . . . ?
C107 Si7 C125 Si6 -58.1(2) . . . . ?
C101 Si7 C125 Si6 -176.35(17) . . . . ?
Ni4 Si7 C125 Si6 65.6(2) . . . . ?
Ni3 Si7 C125 Si6 92.8(2) . . . . ?
C107 Si7 C125 Ni3 -150.83(13) . . . . ?
C101 Si7 C125 Ni3 90.88(13) . . . . ?
Ni4 Si7 C125 Ni3 -27.14(10) . . . . ?
N6 Si5 C125 Si7 -156.0(2) . . . . ?
C77 Si5 C125 Si7 -40.4(2) . . . . ?
C83 Si5 C125 Si7 79.6(2) . . . . ?
Si6 Si5 C125 Si7 -151.7(3) . . . . ?
N6 Si5 C125 Si6 -4.35(12) . . . . ?
C77 Si5 C125 Si6 111.31(15) . . . . ?
C83 Si5 C125 Si6 -128.71(13) . . . . ?
N6 Si5 C125 Ni3 95.60(19) . . . . ?
C77 Si5 C125 Ni3 -148.75(17) . . . . ?
C83 Si5 C125 Ni3 -28.8(2) . . . . ?
Si6 Si5 C125 Ni3 99.9(2) . . . . ?
N6 Si6 C125 Si7 155.1(2) . . . . ?
C89 Si6 C125 Si7 38.3(3) . . . . ?
C95 Si6 C125 Si7 -85.8(3) . . . . ?
Si5 Si6 C125 Si7 150.8(3) . . . . ?
N6 Si6 C125 Si5 4.34(12) . . . . ?
C89 Si6 C125 Si5 -112.50(15) . . . . ?
C95 Si6 C125 Si5 123.48(18) . . . . ?
N6 Si6 C125 Ni3 -121.66(14) . . . . ?
C89 Si6 C125 Ni3 121.50(16) . . . . ?
C95 Si6 C125 Ni3 -2.5(2) . . . . ?
Si5 Si6 C125 Ni3 -126.00(17) . . . . ?
Si5 N6 C126 C129 -167.1(3) . . . . ?
Si6 N6 C126 C129 8.0(5) . . . . ?
Si5 N6 C126 C128 73.1(4) . . . . ?
Si6 N6 C126 C128 -111.7(3) . . . . ?
Si5 N6 C126 C127 -46.2(4) . . . . ?
Si6 N6 C126 C127 128.9(3) . . . . ?
C136 N8 C135 Ni3 10.1(7) . . . . ?
Si8 N8 C135 Ni3 178.5(4) . . . . ?
C136 N8 C135 Ni4 -172.8(3) . . . . ?
Si8 N8 C135 Ni4 -4.4(2) . . . . ?
C136 N8 C135 Si8 -168.4(4) . . . . ?
C130 Ni3 C135 N8 -6.4(5) . . . . ?
C125 Ni3 C135 N8 173.5(4) . . . . ?
Si7 Ni3 C135 N8 -165.9(5) . . . . ?
Ni4 Ni3 C135 N8 177.6(6) . . . . ?
C130 Ni3 C135 Ni4 175.98(13) . . . . ?
C125 Ni3 C135 Ni4 -4.1(3) . . . . ?
Si7 Ni3 C135 Ni4 16.45(10) . . . . ?
C130 Ni3 C135 Si8 170.9(3) . . . . ?
C125 Ni3 C135 Si8 -9.2(5) . . . . ?
Si7 Ni3 C135 Si8 11.3(4) . . . . ?
Ni4 Ni3 C135 Si8 -5.1(3) . . . . ?
C140 Ni4 C135 N8 72.4(3) . . . . ?
C145 Ni4 C135 N8 -84.9(3) . . . . ?
Si8 Ni4 C135 N8 3.9(2) . . . . ?
Si7 Ni4 C135 N8 164.8(2) . . . . ?
Ni3 Ni4 C135 N8 -178.6(3) . . . . ?
C140 Ni4 C135 Ni3 -108.95(16) . . . . ?
C145 Ni4 C135 Ni3 93.75(15) . . . . ?
Si8 Ni4 C135 Ni3 -177.42(13) . . . . ?
Si7 Ni4 C135 Ni3 -16.60(10) . . . . ?
C140 Ni4 C135 Si8 68.47(17) . . . . ?
C145 Ni4 C135 Si8 -88.82(14) . . . . ?
Si7 Ni4 C135 Si8 160.82(4) . . . . ?
Ni3 Ni4 C135 Si8 177.42(13) . . . . ?
C135 N8 C136 C139 -64.0(4) . . . . ?
Si8 N8 C136 C139 136.0(3) . . . . ?
C135 N8 C136 C138 59.1(4) . . . . ?
Si8 N8 C136 C138 -100.9(4) . . . . ?
C135 N8 C136 C137 177.7(3) . . . . ?
Si8 N8 C136 C137 17.8(5) . . . . ?
C150 C151 C152 C153 180.0(8) . . . . ?
C151 C152 C153 C154 173.1(8) . . . . ?
C157 C155 C156 C156 -177.6(12) . . . 2_656 ?


#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.





#==============================================================================
#     End of CIF
#==============================================================================
