# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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_y
_database_code_depnum_ccdc_archive 'CCDC 1523983'
_audit_update_record             
;
2017-01-31 deposited with the CCDC.
2017-02-02 downloaded from the CCDC.
;
_audit_creation_date             2016-12-20
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'0.5(C54 H42 As Cl Ni P3), 0.5(Cl), 2.5(C H Cl3)'
_chemical_formula_sum            'C29.50 H23.50 As0.50 Cl8.50 Ni0.50 P1.50'
_chemical_formula_weight         792.58
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
As As 0.0499 2.0058 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.651(5)
_cell_length_b                   15.423(5)
_cell_length_c                   16.459(6)
_cell_angle_alpha                76.245(4)
_cell_angle_beta                 81.548(4)
_cell_angle_gamma                87.124(4)
_cell_volume                     3329(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9874
_cell_measurement_temperature    110
_cell_measurement_theta_max      27.42
_cell_measurement_theta_min      2.47
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.577
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6200
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/3 (Bruker,2014/3) was used for absorption correction.
wR2(int) was 0.0705 before and 0.0400 after correction.
The Ratio of minimum to maximum transmission is 0.8315.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            blue
_exptl_crystal_colour_primary    blue
_exptl_crystal_density_diffrn    1.581
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1592
_exptl_crystal_size_max          0.56
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0307
_diffrn_reflns_av_unetI/netI     0.0398
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            38868
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         27.515
_diffrn_reflns_theta_min         1.359
_diffrn_ambient_temperature      110
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                12211
_reflns_number_total             15051
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_refine_diff_density_max         2.700
_refine_diff_density_min         -1.720
_refine_diff_density_rms         0.109
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     730
_refine_ls_number_reflns         15051
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0638
_refine_ls_R_factor_gt           0.0500
_refine_ls_restrained_S_all      1.046
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0626P)²+9.0942P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1279
_refine_ls_wR_factor_ref         0.1378
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Ternary CH refined with riding coordinates:
 C56(H56), C55(H55), C57(H57), C58(H58), C59(H59)
2.b Aromatic/amide H refined with riding coordinates:
 C44(H44), C3(H3), C24(H24), C53(H53), C54(H54), C36(H36), C40(H40), C39(H39),
 C4(H4), C6(H6), C21(H21), C5(H5), C42(H42), C30(H30), C46(H46), C45(H45),
 C10(H10), C23(H23), C26(H26), C15(H15), C50(H50), C33(H33), C16(H16), C48(H48),
  C41(H41), C22(H22), C14(H14), C32(H32), C27(H27), C35(H35), C8(H8), C51(H51),
 C18(H18), C17(H17), C34(H34), C28(H28), C9(H9), C52(H52), C29(H29), C47(H47),
 C12(H12), C11(H11)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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
As1 As 0.20588(2) 0.73811(2) 0.33842(2) 0.01089(8) Uani 1 1 d . . . . .
Ni1 Ni 0.21780(3) 0.86094(3) 0.23745(2) 0.01207(10) Uani 1 1 d . . . . .
Cl1 Cl 0.23331(6) 0.98679(6) 0.13794(5) 0.02164(18) Uani 1 1 d . . . . .
Cl2 Cl 0.24231(6) 0.51072(5) 0.62434(5) 0.01686(16) Uani 1 1 d . . . . .
P2 P 0.38335(6) 0.83703(6) 0.22882(5) 0.01403(17) Uani 1 1 d . . . . .
P3 P 0.13471(6) 0.92921(5) 0.33463(5) 0.01278(16) Uani 1 1 d . . . . .
P1 P 0.12760(6) 0.78843(6) 0.16835(5) 0.01636(18) Uani 1 1 d . . . . .
Cl6 Cl 0.15993(9) 0.50278(8) 0.88018(8) 0.0407(3) Uani 1 1 d . . . . .
Cl8 Cl 0.23238(10) 0.33053(8) 0.85385(9) 0.0503(3) Uani 1 1 d . . . . .
Cl7 Cl 0.36810(9) 0.46207(9) 0.86633(9) 0.0497(3) Uani 1 1 d . . . . .
Cl5 Cl 0.35686(13) 0.80459(9) 0.54332(9) 0.0640(4) Uani 1 1 d . . . . .
Cl3 Cl 0.32331(16) 0.70551(13) 0.71289(9) 0.0810(6) Uani 1 1 d . . . . .
Cl4 Cl 0.49083(11) 0.66351(13) 0.59975(16) 0.0913(7) Uani 1 1 d . . . . .
C1 C 0.1272(2) 0.6514(2) 0.3116(2) 0.0145(6) Uani 1 1 d . . . . .
C13 C 0.0093(3) 0.8367(2) 0.1398(2) 0.0200(7) Uani 1 1 d . . . . .
C20 C 0.4115(2) 0.7299(2) 0.2975(2) 0.0163(6) Uani 1 1 d . . . . .
C37 C 0.1438(2) 0.7629(2) 0.4435(2) 0.0132(6) Uani 1 1 d . . . . .
C19 C 0.3343(2) 0.6850(2) 0.3530(2) 0.0132(6) Uani 1 1 d . . . . .
C49 C 0.0123(2) 0.9754(2) 0.3142(2) 0.0166(6) Uani 1 1 d . . . . .
C43 C 0.1979(2) 1.0198(2) 0.3586(2) 0.0160(6) Uani 1 1 d . . . . .
C44 C 0.2778(3) 0.9967(2) 0.4029(2) 0.0227(7) Uani 1 1 d . . . . .
H44 H 0.2983 0.9359 0.4179 0.027 Uiso 1 1 calc R . . . .
C38 C 0.1152(2) 0.8521(2) 0.4384(2) 0.0149(6) Uani 1 1 d . . . . .
C25 C 0.4536(2) 0.8264(2) 0.1284(2) 0.0191(7) Uani 1 1 d . . . . .
C3 C 0.0254(3) 0.6228(3) 0.2140(3) 0.0259(8) Uani 1 1 d . . . . .
H3 H -0.0017 0.6407 0.1625 0.031 Uiso 1 1 calc R . . . .
C24 C 0.3495(3) 0.6041(2) 0.4091(2) 0.0174(7) Uani 1 1 d . . . . .
H24 H 0.2960 0.5746 0.4476 0.021 Uiso 1 1 calc R . . . .
C53 C -0.1639(3) 0.9896(3) 0.3525(2) 0.0249(8) Uani 1 1 d . . . . .
H53 H -0.2220 0.9731 0.3916 0.030 Uiso 1 1 calc R . . . .
C54 C -0.0732(3) 0.9520(2) 0.3711(2) 0.0188(7) Uani 1 1 d . . . . .
H54 H -0.0695 0.9099 0.4231 0.023 Uiso 1 1 calc R . . . .
C36 C 0.5068(3) 0.8932(3) 0.3293(2) 0.0254(8) Uani 1 1 d . . . . .
H36 H 0.5103 0.8323 0.3585 0.031 Uiso 1 1 calc R . . . .
C40 C 0.0714(3) 0.8166(3) 0.5896(2) 0.0237(8) Uani 1 1 d . . . . .
H40 H 0.0475 0.8349 0.6402 0.028 Uiso 1 1 calc R . . . .
C39 C 0.0797(3) 0.8781(2) 0.5131(2) 0.0206(7) Uani 1 1 d . . . . .
H39 H 0.0612 0.9387 0.5112 0.025 Uiso 1 1 calc R . . . .
C2 C 0.0911(3) 0.6791(2) 0.2344(2) 0.0189(7) Uani 1 1 d . . . . .
C31 C 0.4513(2) 0.9185(2) 0.2627(2) 0.0192(7) Uani 1 1 d . . . . .
C4 C -0.0001(3) 0.5417(3) 0.2685(3) 0.0291(9) Uani 1 1 d . . . . .
H4 H -0.0446 0.5042 0.2541 0.035 Uiso 1 1 calc R . . . .
C6 C 0.1026(3) 0.5692(2) 0.3661(2) 0.0200(7) Uani 1 1 d . . . . .
H6 H 0.1291 0.5508 0.4179 0.024 Uiso 1 1 calc R . . . .
C21 C 0.5064(3) 0.6914(2) 0.2965(2) 0.0216(7) Uani 1 1 d . . . . .
H21 H 0.5601 0.7210 0.2584 0.026 Uiso 1 1 calc R . . . .
C5 C 0.0384(3) 0.5144(2) 0.3437(3) 0.0266(8) Uani 1 1 d . . . . .
H5 H 0.0211 0.4580 0.3801 0.032 Uiso 1 1 calc R . . . .
C42 C 0.1349(2) 0.7003(2) 0.5202(2) 0.0177(7) Uani 1 1 d . . . . .
H42 H 0.1537 0.6397 0.5226 0.021 Uiso 1 1 calc R . . . .
C30 C 0.5213(3) 0.8894(3) 0.0805(2) 0.0272(8) Uani 1 1 d . . . . .
H30 H 0.5302 0.9427 0.0979 0.033 Uiso 1 1 calc R . . . .
C46 C 0.2986(3) 1.1495(3) 0.4047(3) 0.0360(10) Uani 1 1 d . . . . .
H46 H 0.3327 1.1937 0.4206 0.043 Uiso 1 1 calc R . . . .
C45 C 0.3281(3) 1.0610(3) 0.4256(2) 0.0280(8) Uani 1 1 d . . . . .
H45 H 0.3831 1.0442 0.4556 0.034 Uiso 1 1 calc R . . . .
C10 C 0.3004(4) 0.7417(6) -0.0799(3) 0.068(2) Uani 1 1 d . . . . .
H10 H 0.3366 0.7331 -0.1313 0.082 Uiso 1 1 calc R . . . .
C23 C 0.4443(3) 0.5675(2) 0.4076(2) 0.0218(7) Uani 1 1 d . . . . .
H23 H 0.4560 0.5125 0.4457 0.026 Uiso 1 1 calc R . . . .
C7 C 0.1944(3) 0.7666(3) 0.0707(2) 0.0275(8) Uani 1 1 d . . . . .
C26 C 0.4409(3) 0.7495(3) 0.1009(2) 0.0235(7) Uani 1 1 d . . . . .
H26 H 0.3939 0.7066 0.1327 0.028 Uiso 1 1 calc R . . . .
C15 C -0.1622(3) 0.8685(3) 0.1852(3) 0.0278(8) Uani 1 1 d . . . . .
H15 H -0.2162 0.8662 0.2292 0.033 Uiso 1 1 calc R . . . .
C50 C 0.0052(3) 1.0359(2) 0.2373(2) 0.0204(7) Uani 1 1 d . . . . .
H50 H 0.0628 1.0508 0.1971 0.024 Uiso 1 1 calc R . . . .
C56 C 0.2569(3) 0.4450(3) 0.8315(3) 0.0311(9) Uani 1 1 d . . . . .
H56 H 0.2633 0.4692 0.7690 0.037 Uiso 1 1 calc R . . . .
C55 C 0.3684(3) 0.6992(3) 0.6100(3) 0.0279(8) Uani 1 1 d . . . . .
H55 H 0.3273 0.6562 0.5932 0.034 Uiso 1 1 calc R . . . .
C33 C 0.4968(3) 1.0720(3) 0.2459(3) 0.0348(10) Uani 1 1 d . . . . .
H33 H 0.4932 1.1331 0.2173 0.042 Uiso 1 1 calc R . . . .
C16 C -0.1755(3) 0.9058(3) 0.1033(3) 0.0332(9) Uani 1 1 d . . . . .
H16 H -0.2389 0.9285 0.0906 0.040 Uiso 1 1 calc R . . . .
C48 C 0.1688(3) 1.1083(3) 0.3373(3) 0.0306(9) Uani 1 1 d . . . . .
H48 H 0.1142 1.1252 0.3068 0.037 Uiso 1 1 calc R . . . .
C41 C 0.0980(3) 0.7279(2) 0.5931(2) 0.0211(7) Uani 1 1 d . . . . .
H41 H 0.0907 0.6857 0.6460 0.025 Uiso 1 1 calc R . . . .
C22 C 0.5222(3) 0.6102(3) 0.3511(2) 0.0238(8) Uani 1 1 d . . . . .
H22 H 0.5866 0.5838 0.3499 0.029 Uiso 1 1 calc R . . . .
C14 C -0.0700(3) 0.8339(2) 0.2044(2) 0.0223(7) Uani 1 1 d . . . . .
H14 H -0.0611 0.8084 0.2614 0.027 Uiso 1 1 calc R . . . .
C32 C 0.4457(3) 1.0088(3) 0.2220(3) 0.0274(8) Uani 1 1 d . . . . .
H32 H 0.4065 1.0270 0.1776 0.033 Uiso 1 1 calc R . . . .
C27 C 0.4962(3) 0.7350(3) 0.0279(3) 0.0316(9) Uani 1 1 d . . . . .
H27 H 0.4875 0.6821 0.0100 0.038 Uiso 1 1 calc R . . . .
C35 C 0.5571(3) 0.9576(3) 0.3531(3) 0.0345(10) Uani 1 1 d . . . . .
H35 H 0.5947 0.9400 0.3987 0.041 Uiso 1 1 calc R . . . .
C8 C 0.2100(3) 0.6810(3) 0.0565(3) 0.0371(10) Uani 1 1 d . . . . .
H8 H 0.1845 0.6305 0.0984 0.045 Uiso 1 1 calc R . . . .
C51 C -0.0852(3) 1.0743(3) 0.2192(2) 0.0252(8) Uani 1 1 d . . . . .
H51 H -0.0894 1.1164 0.1673 0.030 Uiso 1 1 calc R . . . .
C18 C -0.0058(3) 0.8756(3) 0.0573(3) 0.0332(9) Uani 1 1 d . . . . .
H18 H 0.0475 0.8783 0.0127 0.040 Uiso 1 1 calc R . . . .
C17 C -0.0976(4) 0.9105(3) 0.0396(3) 0.0420(11) Uani 1 1 d . . . . .
H17 H -0.1067 0.9378 -0.0170 0.050 Uiso 1 1 calc R . . . .
C34 C 0.5533(3) 1.0461(3) 0.3117(3) 0.0370(10) Uani 1 1 d . . . . .
H34 H 0.5890 1.0891 0.3278 0.044 Uiso 1 1 calc R . . . .
C28 C 0.5641(3) 0.7972(3) -0.0192(2) 0.0355(10) Uani 1 1 d . . . . .
H28 H 0.6024 0.7871 -0.0693 0.043 Uiso 1 1 calc R . . . .
C9 C 0.2631(4) 0.6699(5) -0.0195(4) 0.0579(17) Uani 1 1 d . . . . .
H9 H 0.2735 0.6117 -0.0294 0.070 Uiso 1 1 calc R . . . .
C52 C -0.1700(3) 1.0510(3) 0.2773(3) 0.0271(8) Uani 1 1 d . . . . .
H52 H -0.2322 1.0775 0.2651 0.033 Uiso 1 1 calc R . . . .
C29 C 0.5759(3) 0.8739(3) 0.0071(3) 0.0383(10) Uani 1 1 d . . . . .
H29 H 0.6221 0.9170 -0.0257 0.046 Uiso 1 1 calc R . . . .
C47 C 0.2195(4) 1.1732(3) 0.3606(4) 0.0449(12) Uani 1 1 d . . . . .
H47 H 0.1991 1.2340 0.3459 0.054 Uiso 1 1 calc R . . . .
C12 C 0.2337(3) 0.8394(3) 0.0087(2) 0.0379(10) Uani 1 1 d . . . . .
H12 H 0.2249 0.8979 0.0181 0.045 Uiso 1 1 calc R . . . .
C11 C 0.2858(4) 0.8266(5) -0.0670(3) 0.0547(15) Uani 1 1 d . . . . .
H11 H 0.3114 0.8764 -0.1096 0.066 Uiso 1 1 calc R . . . .
Cl9 Cl 0.26271(8) 0.37809(6) 0.44419(7) 0.0327(2) Uani 1 1 d . . . . .
Cl10 Cl 0.28458(8) 0.24406(7) 0.59708(8) 0.0408(3) Uani 1 1 d . . . . .
Cl11 Cl 0.09038(7) 0.29621(7) 0.55116(8) 0.0371(2) Uani 1 1 d . . . . .
C57 C 0.2111(3) 0.3331(3) 0.5491(3) 0.0278(8) Uani 1 1 d . . . . .
H57 H 0.2072 0.3808 0.5814 0.033 Uiso 1 1 calc R . . . .
Cl14 Cl 0.16339(10) 0.22351(9) 0.11083(10) 0.0601(4) Uani 1 1 d . . . . .
Cl13 Cl -0.00851(10) 0.31882(10) 0.04970(10) 0.0588(4) Uani 1 1 d . . . . .
Cl12 Cl 0.1053(2) 0.3932(2) 0.1503(2) 0.1520(15) Uani 1 1 d . . . . .
C58 C 0.1094(4) 0.3281(3) 0.0773(3) 0.0453(12) Uani 1 1 d . . . . .
H58 H 0.1520 0.3597 0.0250 0.054 Uiso 1 1 calc R . . . .
Cl15 Cl 0.31676(15) 0.50068(10) 0.23726(10) 0.0713(5) Uani 1 1 d . . . . .
Cl17 Cl 0.36988(15) 0.32143(11) 0.22413(12) 0.0778(5) Uani 1 1 d . . . . .
Cl16 Cl 0.41518(15) 0.46878(14) 0.08247(10) 0.0811(5) Uani 1 1 d . . . . .
C59 C 0.4008(5) 0.4326(4) 0.1926(4) 0.0611(15) Uani 1 1 d . . . . .
H59 H 0.4661 0.4387 0.2112 0.073 Uiso 1 1 calc R . . . .


_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
As1 Ni1 2.1981(7) . ?
As1 C1 1.924(3) . ?
As1 C37 1.926(3) . ?
As1 C19 1.920(3) . ?
Ni1 Cl1 2.2186(10) . ?
Ni1 P2 2.2608(12) . ?
Ni1 P3 2.2586(10) . ?
Ni1 P1 2.2835(10) . ?
P2 C20 1.826(3) . ?
P2 C25 1.824(4) . ?
P2 C31 1.830(4) . ?
P3 C49 1.828(3) . ?
P3 C43 1.827(3) . ?
P3 C38 1.826(3) . ?
P1 C13 1.822(4) . ?
P1 C2 1.824(4) . ?
P1 C7 1.823(4) . ?
Cl6 C56 1.760(4) . ?
Cl8 C56 1.754(4) . ?
Cl7 C56 1.753(4) . ?
Cl5 C55 1.746(4) . ?
Cl3 C55 1.738(4) . ?
Cl4 C55 1.730(4) . ?
C1 C2 1.394(5) . ?
C1 C6 1.392(5) . ?
C13 C14 1.396(5) . ?
C13 C18 1.388(5) . ?
C20 C19 1.384(5) . ?
C20 C21 1.396(5) . ?
C37 C38 1.398(4) . ?
C37 C42 1.388(5) . ?
C19 C24 1.390(4) . ?
C49 C54 1.390(5) . ?
C49 C50 1.396(5) . ?
C43 C44 1.385(5) . ?
C43 C48 1.380(5) . ?
C44 H44 0.9500 . ?
C44 C45 1.384(5) . ?
C38 C39 1.395(5) . ?
C25 C30 1.390(5) . ?
C25 C26 1.394(5) . ?
C3 H3 0.9500 . ?
C3 C2 1.405(5) . ?
C3 C4 1.382(6) . ?
C24 H24 0.9500 . ?
C24 C23 1.385(5) . ?
C53 H53 0.9500 . ?
C53 C54 1.385(5) . ?
C53 C52 1.379(6) . ?
C54 H54 0.9500 . ?
C36 H36 0.9500 . ?
C36 C31 1.393(5) . ?
C36 C35 1.394(6) . ?
C40 H40 0.9500 . ?
C40 C39 1.379(5) . ?
C40 C41 1.387(5) . ?
C39 H39 0.9500 . ?
C31 C32 1.398(5) . ?
C4 H4 0.9500 . ?
C4 C5 1.379(6) . ?
C6 H6 0.9500 . ?
C6 C5 1.392(5) . ?
C21 H21 0.9500 . ?
C21 C22 1.384(5) . ?
C5 H5 0.9500 . ?
C42 H42 0.9500 . ?
C42 C41 1.386(5) . ?
C30 H30 0.9500 . ?
C30 C29 1.388(6) . ?
C46 H46 0.9500 . ?
C46 C45 1.380(6) . ?
C46 C47 1.375(7) . ?
C45 H45 0.9500 . ?
C10 H10 0.9500 . ?
C10 C9 1.362(10) . ?
C10 C11 1.375(9) . ?
C23 H23 0.9500 . ?
C23 C22 1.385(5) . ?
C7 C8 1.396(6) . ?
C7 C12 1.395(6) . ?
C26 H26 0.9500 . ?
C26 C27 1.382(5) . ?
C15 H15 0.9500 . ?
C15 C16 1.369(6) . ?
C15 C14 1.391(5) . ?
C50 H50 0.9500 . ?
C50 C51 1.383(5) . ?
C56 H56 1.0000 . ?
C55 H55 1.0000 . ?
C33 H33 0.9500 . ?
C33 C32 1.386(6) . ?
C33 C34 1.392(7) . ?
C16 H16 0.9500 . ?
C16 C17 1.372(7) . ?
C48 H48 0.9500 . ?
C48 C47 1.399(6) . ?
C41 H41 0.9500 . ?
C22 H22 0.9500 . ?
C14 H14 0.9500 . ?
C32 H32 0.9500 . ?
C27 H27 0.9500 . ?
C27 C28 1.380(6) . ?
C35 H35 0.9500 . ?
C35 C34 1.375(7) . ?
C8 H8 0.9500 . ?
C8 C9 1.394(7) . ?
C51 H51 0.9500 . ?
C51 C52 1.391(6) . ?
C18 H18 0.9500 . ?
C18 C17 1.382(6) . ?
C17 H17 0.9500 . ?
C34 H34 0.9500 . ?
C28 H28 0.9500 . ?
C28 C29 1.377(7) . ?
C9 H9 0.9500 . ?
C52 H52 0.9500 . ?
C29 H29 0.9500 . ?
C47 H47 0.9500 . ?
C12 H12 0.9500 . ?
C12 C11 1.392(6) . ?
C11 H11 0.9500 . ?
Cl9 C57 1.756(4) . ?
Cl10 C57 1.760(4) . ?
Cl11 C57 1.763(4) . ?
C57 H57 1.0000 . ?
Cl14 C58 1.740(5) . ?
Cl13 C58 1.756(5) . ?
Cl12 C58 1.732(5) . ?
C58 H58 1.0000 . ?
Cl15 C59 1.720(7) . ?
Cl17 C59 1.724(6) . ?
Cl16 C59 1.750(6) . ?
C59 H59 1.0000 . ?

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
C1 As1 Ni1 110.87(10) . . ?
C1 As1 C37 107.88(14) . . ?
C37 As1 Ni1 110.59(10) . . ?
C19 As1 Ni1 110.78(10) . . ?
C19 As1 C1 107.44(13) . . ?
C19 As1 C37 109.18(13) . . ?
As1 Ni1 Cl1 178.02(3) . . ?
As1 Ni1 P2 85.88(3) . . ?
As1 Ni1 P3 86.22(4) . . ?
As1 Ni1 P1 85.98(4) . . ?
Cl1 Ni1 P2 92.96(3) . . ?
Cl1 Ni1 P3 93.03(4) . . ?
Cl1 Ni1 P1 95.99(4) . . ?
P2 Ni1 P1 119.31(4) . . ?
P3 Ni1 P2 121.38(4) . . ?
P3 Ni1 P1 117.88(4) . . ?
C20 P2 Ni1 110.55(11) . . ?
C20 P2 C31 104.52(16) . . ?
C25 P2 Ni1 119.14(11) . . ?
C25 P2 C20 101.11(16) . . ?
C25 P2 C31 104.67(16) . . ?
C31 P2 Ni1 115.07(12) . . ?
C49 P3 Ni1 116.24(11) . . ?
C43 P3 Ni1 116.77(11) . . ?
C43 P3 C49 104.76(15) . . ?
C38 P3 Ni1 110.80(11) . . ?
C38 P3 C49 105.79(15) . . ?
C38 P3 C43 100.87(15) . . ?
C13 P1 Ni1 118.92(12) . . ?
C13 P1 C2 101.92(16) . . ?
C13 P1 C7 104.56(16) . . ?
C2 P1 Ni1 110.35(12) . . ?
C7 P1 Ni1 114.24(14) . . ?
C7 P1 C2 105.39(18) . . ?
C2 C1 As1 114.7(2) . . ?
C6 C1 As1 123.5(3) . . ?
C6 C1 C2 121.7(3) . . ?
C14 C13 P1 118.0(3) . . ?
C18 C13 P1 123.3(3) . . ?
C18 C13 C14 118.7(3) . . ?
C19 C20 P2 117.8(2) . . ?
C19 C20 C21 118.9(3) . . ?
C21 C20 P2 123.4(3) . . ?
C38 C37 As1 114.5(2) . . ?
C42 C37 As1 123.7(2) . . ?
C42 C37 C38 121.5(3) . . ?
C20 C19 As1 114.4(2) . . ?
C20 C19 C24 121.6(3) . . ?
C24 C19 As1 123.8(2) . . ?
C54 C49 P3 123.0(3) . . ?
C54 C49 C50 119.0(3) . . ?
C50 C49 P3 118.0(3) . . ?
C44 C43 P3 117.2(3) . . ?
C48 C43 P3 123.8(3) . . ?
C48 C43 C44 119.0(3) . . ?
C43 C44 H44 119.6 . . ?
C45 C44 C43 120.9(3) . . ?
C45 C44 H44 119.6 . . ?
C37 C38 P3 117.6(2) . . ?
C39 C38 P3 123.9(3) . . ?
C39 C38 C37 118.4(3) . . ?
C30 C25 P2 123.1(3) . . ?
C30 C25 C26 119.2(3) . . ?
C26 C25 P2 117.7(3) . . ?
C2 C3 H3 119.8 . . ?
C4 C3 H3 119.8 . . ?
C4 C3 C2 120.3(3) . . ?
C19 C24 H24 120.7 . . ?
C23 C24 C19 118.6(3) . . ?
C23 C24 H24 120.7 . . ?
C54 C53 H53 119.9 . . ?
C52 C53 H53 119.9 . . ?
C52 C53 C54 120.2(3) . . ?
C49 C54 H54 119.8 . . ?
C53 C54 C49 120.4(3) . . ?
C53 C54 H54 119.8 . . ?
C31 C36 H36 120.1 . . ?
C31 C36 C35 119.7(4) . . ?
C35 C36 H36 120.1 . . ?
C39 C40 H40 119.9 . . ?
C39 C40 C41 120.3(3) . . ?
C41 C40 H40 119.9 . . ?
C38 C39 H39 119.8 . . ?
C40 C39 C38 120.5(3) . . ?
C40 C39 H39 119.8 . . ?
C1 C2 P1 117.9(2) . . ?
C1 C2 C3 118.0(3) . . ?
C3 C2 P1 124.0(3) . . ?
C36 C31 P2 121.7(3) . . ?
C36 C31 C32 118.9(3) . . ?
C32 C31 P2 119.4(3) . . ?
C3 C4 H4 119.6 . . ?
C5 C4 C3 120.8(3) . . ?
C5 C4 H4 119.6 . . ?
C1 C6 H6 120.5 . . ?
C5 C6 C1 119.0(3) . . ?
C5 C6 H6 120.5 . . ?
C20 C21 H21 120.0 . . ?
C22 C21 C20 120.1(3) . . ?
C22 C21 H21 120.0 . . ?
C4 C5 C6 120.1(4) . . ?
C4 C5 H5 119.9 . . ?
C6 C5 H5 119.9 . . ?
C37 C42 H42 120.6 . . ?
C41 C42 C37 118.7(3) . . ?
C41 C42 H42 120.6 . . ?
C25 C30 H30 120.3 . . ?
C29 C30 C25 119.5(4) . . ?
C29 C30 H30 120.3 . . ?
C45 C46 H46 120.3 . . ?
C47 C46 H46 120.3 . . ?
C47 C46 C45 119.5(4) . . ?
C44 C45 H45 119.9 . . ?
C46 C45 C44 120.1(4) . . ?
C46 C45 H45 119.9 . . ?
C9 C10 H10 119.7 . . ?
C9 C10 C11 120.6(5) . . ?
C11 C10 H10 119.7 . . ?
C24 C23 H23 119.6 . . ?
C22 C23 C24 120.8(3) . . ?
C22 C23 H23 119.6 . . ?
C8 C7 P1 123.1(4) . . ?
C12 C7 P1 117.7(3) . . ?
C12 C7 C8 119.1(4) . . ?
C25 C26 H26 119.8 . . ?
C27 C26 C25 120.5(4) . . ?
C27 C26 H26 119.8 . . ?
C16 C15 H15 119.8 . . ?
C16 C15 C14 120.5(4) . . ?
C14 C15 H15 119.8 . . ?
C49 C50 H50 119.8 . . ?
C51 C50 C49 120.4(3) . . ?
C51 C50 H50 119.8 . . ?
Cl6 C56 H56 108.7 . . ?
Cl8 C56 Cl6 110.9(2) . . ?
Cl8 C56 H56 108.7 . . ?
Cl7 C56 Cl6 109.4(2) . . ?
Cl7 C56 Cl8 110.3(2) . . ?
Cl7 C56 H56 108.7 . . ?
Cl5 C55 H55 108.8 . . ?
Cl3 C55 Cl5 108.5(2) . . ?
Cl3 C55 H55 108.8 . . ?
Cl4 C55 Cl5 109.7(2) . . ?
Cl4 C55 Cl3 112.2(2) . . ?
Cl4 C55 H55 108.8 . . ?
C32 C33 H33 120.0 . . ?
C32 C33 C34 120.1(4) . . ?
C34 C33 H33 120.0 . . ?
C15 C16 H16 120.0 . . ?
C15 C16 C17 120.1(4) . . ?
C17 C16 H16 120.0 . . ?
C43 C48 H48 120.0 . . ?
C43 C48 C47 120.0(4) . . ?
C47 C48 H48 120.0 . . ?
C40 C41 H41 119.7 . . ?
C42 C41 C40 120.6(3) . . ?
C42 C41 H41 119.7 . . ?
C21 C22 C23 120.1(3) . . ?
C21 C22 H22 120.0 . . ?
C23 C22 H22 120.0 . . ?
C13 C14 H14 120.1 . . ?
C15 C14 C13 119.9(3) . . ?
C15 C14 H14 120.1 . . ?
C31 C32 H32 119.6 . . ?
C33 C32 C31 120.7(4) . . ?
C33 C32 H32 119.6 . . ?
C26 C27 H27 119.9 . . ?
C28 C27 C26 120.3(4) . . ?
C28 C27 H27 119.9 . . ?
C36 C35 H35 119.4 . . ?
C34 C35 C36 121.2(4) . . ?
C34 C35 H35 119.4 . . ?
C7 C8 H8 120.2 . . ?
C9 C8 C7 119.6(5) . . ?
C9 C8 H8 120.2 . . ?
C50 C51 H51 120.1 . . ?
C50 C51 C52 119.9(3) . . ?
C52 C51 H51 120.1 . . ?
C13 C18 H18 119.7 . . ?
C17 C18 C13 120.6(4) . . ?
C17 C18 H18 119.7 . . ?
C16 C17 C18 120.3(4) . . ?
C16 C17 H17 119.9 . . ?
C18 C17 H17 119.9 . . ?
C33 C34 H34 120.3 . . ?
C35 C34 C33 119.4(4) . . ?
C35 C34 H34 120.3 . . ?
C27 C28 H28 120.3 . . ?
C29 C28 C27 119.4(4) . . ?
C29 C28 H28 120.3 . . ?
C10 C9 C8 120.7(5) . . ?
C10 C9 H9 119.6 . . ?
C8 C9 H9 119.6 . . ?
C53 C52 C51 120.0(3) . . ?
C53 C52 H52 120.0 . . ?
C51 C52 H52 120.0 . . ?
C30 C29 H29 119.4 . . ?
C28 C29 C30 121.2(4) . . ?
C28 C29 H29 119.4 . . ?
C46 C47 C48 120.5(4) . . ?
C46 C47 H47 119.7 . . ?
C48 C47 H47 119.7 . . ?
C7 C12 H12 119.9 . . ?
C11 C12 C7 120.2(5) . . ?
C11 C12 H12 119.9 . . ?
C10 C11 C12 119.9(6) . . ?
C10 C11 H11 120.0 . . ?
C12 C11 H11 120.0 . . ?
Cl9 C57 Cl10 110.9(2) . . ?
Cl9 C57 Cl11 109.4(2) . . ?
Cl9 C57 H57 108.8 . . ?
Cl10 C57 Cl11 110.1(2) . . ?
Cl10 C57 H57 108.8 . . ?
Cl11 C57 H57 108.8 . . ?
Cl14 C58 Cl13 111.2(3) . . ?
Cl14 C58 H58 107.1 . . ?
Cl13 C58 H58 107.1 . . ?
Cl12 C58 Cl14 112.6(3) . . ?
Cl12 C58 Cl13 111.4(3) . . ?
Cl12 C58 H58 107.1 . . ?
Cl15 C59 Cl17 113.1(4) . . ?
Cl15 C59 Cl16 109.8(4) . . ?
Cl15 C59 H59 107.6 . . ?
Cl17 C59 Cl16 110.9(4) . . ?
Cl17 C59 H59 107.6 . . ?
Cl16 C59 H59 107.6 . . ?

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
As1 C1 C2 P1 3.2(4) . . . . ?
As1 C1 C2 C3 -174.1(3) . . . . ?
As1 C1 C6 C5 174.6(3) . . . . ?
As1 C37 C38 P3 2.9(3) . . . . ?
As1 C37 C38 C39 -173.0(3) . . . . ?
As1 C37 C42 C41 173.5(3) . . . . ?
As1 C19 C24 C23 173.0(3) . . . . ?
Ni1 P2 C20 C19 -9.2(3) . . . . ?
Ni1 P2 C20 C21 170.6(3) . . . . ?
Ni1 P2 C25 C30 111.8(3) . . . . ?
Ni1 P2 C25 C26 -70.8(3) . . . . ?
Ni1 P2 C31 C36 119.8(3) . . . . ?
Ni1 P2 C31 C32 -58.7(3) . . . . ?
Ni1 P3 C49 C54 123.8(3) . . . . ?
Ni1 P3 C49 C50 -55.4(3) . . . . ?
Ni1 P3 C43 C44 -70.5(3) . . . . ?
Ni1 P3 C43 C48 111.4(3) . . . . ?
Ni1 P3 C38 C37 -5.8(3) . . . . ?
Ni1 P3 C38 C39 169.9(3) . . . . ?
Ni1 P1 C13 C14 -71.8(3) . . . . ?
Ni1 P1 C13 C18 108.6(3) . . . . ?
Ni1 P1 C2 C1 -4.9(3) . . . . ?
Ni1 P1 C2 C3 172.1(3) . . . . ?
Ni1 P1 C7 C8 121.2(3) . . . . ?
Ni1 P1 C7 C12 -57.0(3) . . . . ?
P2 C20 C19 As1 6.9(3) . . . . ?
P2 C20 C19 C24 -178.4(2) . . . . ?
P2 C20 C21 C22 179.4(3) . . . . ?
P2 C25 C30 C29 176.4(3) . . . . ?
P2 C25 C26 C27 -176.2(3) . . . . ?
P2 C31 C32 C33 -179.6(3) . . . . ?
P3 C49 C54 C53 179.5(3) . . . . ?
P3 C49 C50 C51 -178.6(3) . . . . ?
P3 C43 C44 C45 -178.3(3) . . . . ?
P3 C43 C48 C47 177.9(4) . . . . ?
P3 C38 C39 C40 -176.9(3) . . . . ?
P1 C13 C14 C15 -178.8(3) . . . . ?
P1 C13 C18 C17 179.4(4) . . . . ?
P1 C7 C8 C9 -179.0(3) . . . . ?
P1 C7 C12 C11 179.7(4) . . . . ?
C1 C6 C5 C4 -0.2(5) . . . . ?
C13 P1 C2 C1 -132.2(3) . . . . ?
C13 P1 C2 C3 44.9(3) . . . . ?
C13 P1 C7 C8 -107.1(3) . . . . ?
C13 P1 C7 C12 74.7(3) . . . . ?
C13 C18 C17 C16 -1.0(7) . . . . ?
C20 P2 C25 C30 -126.9(3) . . . . ?
C20 P2 C25 C26 50.5(3) . . . . ?
C20 P2 C31 C36 -1.7(3) . . . . ?
C20 P2 C31 C32 179.9(3) . . . . ?
C20 C19 C24 C23 -1.2(5) . . . . ?
C20 C21 C22 C23 -0.8(6) . . . . ?
C37 C38 C39 C40 -1.3(5) . . . . ?
C37 C42 C41 C40 -0.7(5) . . . . ?
C19 C20 C21 C22 -0.8(5) . . . . ?
C19 C24 C23 C22 -0.4(5) . . . . ?
C49 P3 C43 C44 159.4(3) . . . . ?
C49 P3 C43 C48 -18.7(4) . . . . ?
C49 P3 C38 C37 121.0(3) . . . . ?
C49 P3 C38 C39 -63.3(3) . . . . ?
C49 C50 C51 C52 -1.4(6) . . . . ?
C43 P3 C49 C54 -105.7(3) . . . . ?
C43 P3 C49 C50 75.1(3) . . . . ?
C43 P3 C38 C37 -130.1(3) . . . . ?
C43 P3 C38 C39 45.6(3) . . . . ?
C43 C44 C45 C46 0.4(6) . . . . ?
C43 C48 C47 C46 0.1(8) . . . . ?
C44 C43 C48 C47 -0.2(6) . . . . ?
C38 P3 C49 C54 0.4(3) . . . . ?
C38 P3 C49 C50 -178.8(3) . . . . ?
C38 P3 C43 C44 49.7(3) . . . . ?
C38 P3 C43 C48 -128.4(3) . . . . ?
C38 C37 C42 C41 -0.9(5) . . . . ?
C25 P2 C20 C19 -136.3(3) . . . . ?
C25 P2 C20 C21 43.5(3) . . . . ?
C25 P2 C31 C36 -107.5(3) . . . . ?
C25 P2 C31 C32 74.0(3) . . . . ?
C25 C30 C29 C28 0.0(7) . . . . ?
C25 C26 C27 C28 -0.6(6) . . . . ?
C3 C4 C5 C6 0.9(6) . . . . ?
C24 C23 C22 C21 1.4(6) . . . . ?
C54 C49 C50 C51 2.1(5) . . . . ?
C54 C53 C52 C51 1.0(6) . . . . ?
C36 C31 C32 C33 1.9(6) . . . . ?
C36 C35 C34 C33 1.2(6) . . . . ?
C39 C40 C41 C42 1.3(6) . . . . ?
C2 P1 C13 C14 49.8(3) . . . . ?
C2 P1 C13 C18 -129.9(3) . . . . ?
C2 P1 C7 C8 -0.1(4) . . . . ?
C2 P1 C7 C12 -178.3(3) . . . . ?
C2 C1 C6 C5 -1.5(5) . . . . ?
C2 C3 C4 C5 0.0(6) . . . . ?
C31 P2 C20 C19 115.2(3) . . . . ?
C31 P2 C20 C21 -65.0(3) . . . . ?
C31 P2 C25 C30 -18.5(4) . . . . ?
C31 P2 C25 C26 158.9(3) . . . . ?
C31 C36 C35 C34 -0.2(6) . . . . ?
C4 C3 C2 P1 -178.6(3) . . . . ?
C4 C3 C2 C1 -1.6(5) . . . . ?
C6 C1 C2 P1 179.6(3) . . . . ?
C6 C1 C2 C3 2.3(5) . . . . ?
C21 C20 C19 As1 -172.9(3) . . . . ?
C21 C20 C19 C24 1.8(5) . . . . ?
C42 C37 C38 P3 177.8(2) . . . . ?
C42 C37 C38 C39 1.9(5) . . . . ?
C30 C25 C26 C27 1.2(6) . . . . ?
C45 C46 C47 C48 0.3(8) . . . . ?
C7 P1 C13 C14 159.3(3) . . . . ?
C7 P1 C13 C18 -20.3(4) . . . . ?
C7 P1 C2 C1 118.9(3) . . . . ?
C7 P1 C2 C3 -64.1(3) . . . . ?
C7 C8 C9 C10 0.3(7) . . . . ?
C7 C12 C11 C10 -1.4(7) . . . . ?
C26 C25 C30 C29 -0.9(6) . . . . ?
C26 C27 C28 C29 -0.4(6) . . . . ?
C15 C16 C17 C18 1.6(7) . . . . ?
C50 C49 C54 C53 -1.3(5) . . . . ?
C50 C51 C52 C53 -0.2(6) . . . . ?
C16 C15 C14 C13 -0.4(6) . . . . ?
C48 C43 C44 C45 -0.1(6) . . . . ?
C41 C40 C39 C38 -0.3(6) . . . . ?
C14 C13 C18 C17 -0.2(6) . . . . ?
C14 C15 C16 C17 -0.9(6) . . . . ?
C32 C33 C34 C35 -0.7(6) . . . . ?
C27 C28 C29 C30 0.7(7) . . . . ?
C35 C36 C31 P2 -179.8(3) . . . . ?
C35 C36 C31 C32 -1.3(6) . . . . ?
C8 C7 C12 C11 1.4(6) . . . . ?
C18 C13 C14 C15 0.9(6) . . . . ?
C34 C33 C32 C31 -0.9(6) . . . . ?
C9 C10 C11 C12 0.7(8) . . . . ?
C52 C53 C54 C49 -0.3(6) . . . . ?
C47 C46 C45 C44 -0.5(7) . . . . ?
C12 C7 C8 C9 -0.9(6) . . . . ?
C11 C10 C9 C8 -0.2(8) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_y
_database_code_depnum_ccdc_archive 'CCDC 1523980'
_audit_update_record             
;
2017-01-31 deposited with the CCDC.
2017-02-02 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C54 H42 As P3'
_chemical_formula_weight         858.70

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
As As 0.0499 2.0058 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.438(2)
_cell_length_b                   13.155(3)
_cell_length_c                   15.671(3)
_cell_angle_alpha                102.724(14)
_cell_angle_beta                 90.398(14)
_cell_angle_gamma                92.371(14)
_cell_volume                     2097.0(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    110(2)
_cell_measurement_reflns_used    4902
_cell_measurement_theta_min      2.35
_cell_measurement_theta_max      24.76

_exptl_crystal_description       plate
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.360
_exptl_crystal_F_000             888
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.210
_exptl_crystal_size_min          0.040
_exptl_absorpt_coefficient_mu    0.963
_shelx_estimated_absorpt_T_min   0.761
_shelx_estimated_absorpt_T_max   0.962
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6606
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      110(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            42880
_diffrn_reflns_av_unetI/netI     0.1042
_diffrn_reflns_av_R_equivalents  0.0807
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         1.588
_diffrn_reflns_theta_max         30.843
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.947
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.947
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.947
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             12481
_reflns_number_gt                7696
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0823P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    riding
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         12481
_refine_ls_number_parameters     523
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1084
_refine_ls_R_factor_gt           0.0570
_refine_ls_wR_factor_ref         0.1654
_refine_ls_wR_factor_gt          0.1392
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_restrained_S_all      1.005
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
As1 As 0.65492(3) 0.76384(2) 0.25910(2) 0.01925(10) Uani 1 1 d . . . . .
P1 P 0.77474(8) 0.79702(7) 0.44982(5) 0.02265(18) Uani 1 1 d . . . . .
P2 P 0.68858(8) 0.97948(6) 0.18706(5) 0.02191(18) Uani 1 1 d . . . . .
P3 P 0.39044(8) 0.62792(7) 0.26247(6) 0.02508(19) Uani 1 1 d . . . . .
C1 C 0.8412(3) 0.7883(2) 0.2765(2) 0.0201(6) Uani 1 1 d . . . . .
C2 C 0.9249(3) 0.7929(3) 0.2085(2) 0.0247(7) Uani 1 1 d . . . . .
H2 H 0.8921 0.7833 0.1504 0.030 Uiso 1 1 calc R U . . .
C3 C 1.0555(3) 0.8113(3) 0.2244(2) 0.0283(7) Uani 1 1 d . . . . .
H3 H 1.1118 0.8123 0.1772 0.034 Uiso 1 1 calc R U . . .
C4 C 1.1036(3) 0.8282(3) 0.3087(2) 0.0288(7) Uani 1 1 d . . . . .
H4 H 1.1929 0.8423 0.3199 0.035 Uiso 1 1 calc R U . . .
C5 C 1.0214(3) 0.8246(2) 0.3768(2) 0.0241(7) Uani 1 1 d . . . . .
H5 H 1.0555 0.8352 0.4346 0.029 Uiso 1 1 calc R U . . .
C6 C 0.8899(3) 0.8057(2) 0.3628(2) 0.0206(6) Uani 1 1 d . . . . .
C7 C 0.7239(3) 0.9305(2) 0.4845(2) 0.0215(6) Uani 1 1 d . . . . .
C8 C 0.7486(3) 1.0078(3) 0.4386(2) 0.0254(7) Uani 1 1 d . . . . .
H8 H 0.7994 0.9937 0.3877 0.031 Uiso 1 1 calc R U . . .
C9 C 0.6993(3) 1.1061(3) 0.4668(2) 0.0297(7) Uani 1 1 d . . . . .
H9 H 0.7170 1.1591 0.4355 0.036 Uiso 1 1 calc R U . . .
C10 C 0.6243(3) 1.1263(3) 0.5408(2) 0.0308(8) Uani 1 1 d . . . . .
H10 H 0.5897 1.1930 0.5599 0.037 Uiso 1 1 calc R U . . .
C11 C 0.5998(3) 1.0501(3) 0.5866(2) 0.0291(7) Uani 1 1 d . . . . .
H11 H 0.5488 1.0645 0.6375 0.035 Uiso 1 1 calc R U . . .
C12 C 0.6486(3) 0.9531(3) 0.5592(2) 0.0264(7) Uani 1 1 d . . . . .
H12 H 0.6310 0.9009 0.5914 0.032 Uiso 1 1 calc R U . . .
C13 C 0.8740(3) 0.7842(2) 0.5435(2) 0.0223(6) Uani 1 1 d . . . . .
C14 C 0.9497(3) 0.8659(3) 0.5922(2) 0.0246(7) Uani 1 1 d . . . . .
H14 H 0.9518 0.9319 0.5770 0.029 Uiso 1 1 calc R U . . .
C15 C 1.0225(3) 0.8521(3) 0.6632(2) 0.0285(7) Uani 1 1 d . . . . .
H15 H 1.0743 0.9084 0.6962 0.034 Uiso 1 1 calc R U . . .
C16 C 1.0192(3) 0.7550(3) 0.6855(2) 0.0285(7) Uani 1 1 d . . . . .
H16 H 1.0707 0.7446 0.7328 0.034 Uiso 1 1 calc R U . . .
C17 C 0.9431(3) 0.6762(3) 0.6403(2) 0.0294(8) Uani 1 1 d . . . . .
H17 H 0.9393 0.6110 0.6570 0.035 Uiso 1 1 calc R U . . .
C18 C 0.8696(3) 0.6891(3) 0.5686(2) 0.0244(7) Uani 1 1 d . . . . .
H18 H 0.8165 0.6327 0.5370 0.029 Uiso 1 1 calc R U . . .
C19 C 0.6386(3) 0.7644(2) 0.13315(19) 0.0206(6) Uani 1 1 d . . . . .
C20 C 0.6033(3) 0.6744(2) 0.0723(2) 0.0226(6) Uani 1 1 d . . . . .
H20 H 0.5931 0.6102 0.0904 0.027 Uiso 1 1 calc R U . . .
C21 C 0.5825(3) 0.6763(3) -0.0154(2) 0.0254(7) Uani 1 1 d . . . . .
H21 H 0.5555 0.6141 -0.0561 0.030 Uiso 1 1 calc R U . . .
C22 C 0.6009(3) 0.7682(3) -0.0432(2) 0.0273(7) Uani 1 1 d . . . . .
H22 H 0.5904 0.7689 -0.1033 0.033 Uiso 1 1 calc R U . . .
C23 C 0.6346(3) 0.8587(3) 0.0166(2) 0.0248(7) Uani 1 1 d . . . . .
H23 H 0.6460 0.9221 -0.0025 0.030 Uiso 1 1 calc R U . . .
C24 C 0.6521(3) 0.8589(2) 0.1049(2) 0.0202(6) Uani 1 1 d . . . . .
C25 C 0.5318(3) 1.0378(3) 0.2017(2) 0.0246(7) Uani 1 1 d . . . . .
C26 C 0.4181(3) 0.9899(3) 0.1646(2) 0.0289(7) Uani 1 1 d . . . . .
H26 H 0.4191 0.9228 0.1266 0.035 Uiso 1 1 calc R U . . .
C27 C 0.3018(3) 1.0386(3) 0.1822(2) 0.0342(8) Uani 1 1 d . . . . .
H27 H 0.2243 1.0044 0.1566 0.041 Uiso 1 1 calc R U . . .
C28 C 0.2996(4) 1.1365(3) 0.2368(2) 0.0371(9) Uani 1 1 d . . . . .
H28 H 0.2207 1.1701 0.2482 0.045 Uiso 1 1 calc R U . . .
C29 C 0.4114(4) 1.1852(3) 0.2744(2) 0.0331(8) Uani 1 1 d . . . . .
H29 H 0.4100 1.2527 0.3116 0.040 Uiso 1 1 calc R U . . .
C30 C 0.5266(3) 1.1360(3) 0.2583(2) 0.0287(7) Uani 1 1 d . . . . .
H30 H 0.6031 1.1694 0.2862 0.034 Uiso 1 1 calc R U . . .
C31 C 0.7715(3) 1.0603(2) 0.1205(2) 0.0234(7) Uani 1 1 d . . . . .
C32 C 0.7108(3) 1.1283(3) 0.0788(2) 0.0282(7) Uani 1 1 d . . . . .
H32 H 0.6205 1.1339 0.0828 0.034 Uiso 1 1 calc R U . . .
C33 C 0.7807(4) 1.1882(3) 0.0312(2) 0.0365(9) Uani 1 1 d . . . . .
H33 H 0.7380 1.2336 0.0020 0.044 Uiso 1 1 calc R U . . .
C34 C 0.9107(4) 1.1821(3) 0.0263(2) 0.0376(9) Uani 1 1 d . . . . .
H34 H 0.9584 1.2243 -0.0054 0.045 Uiso 1 1 calc R U . . .
C35 C 0.9733(4) 1.1151(3) 0.0669(2) 0.0375(9) Uani 1 1 d . . . . .
H35 H 1.0636 1.1099 0.0622 0.045 Uiso 1 1 calc R U . . .
C36 C 0.9042(3) 1.0554(3) 0.1146(2) 0.0305(8) Uani 1 1 d . . . . .
H36 H 0.9478 1.0104 0.1436 0.037 Uiso 1 1 calc R U . . .
C37 C 0.6548(3) 0.6111(2) 0.24507(19) 0.0211(6) Uani 1 1 d . . . . .
C38 C 0.7678(3) 0.5555(3) 0.2302(2) 0.0268(7) Uani 1 1 d . . . . .
H38 H 0.8472 0.5927 0.2276 0.032 Uiso 1 1 calc R U . . .
C39 C 0.7663(3) 0.4496(3) 0.2194(2) 0.0300(8) Uani 1 1 d . . . . .
H39 H 0.8437 0.4136 0.2095 0.036 Uiso 1 1 calc R U . . .
C40 C 0.6509(3) 0.3950(3) 0.2231(2) 0.0289(7) Uani 1 1 d . . . . .
H40 H 0.6491 0.3214 0.2159 0.035 Uiso 1 1 calc R U . . .
C41 C 0.5388(3) 0.4474(3) 0.2370(2) 0.0278(7) Uani 1 1 d . . . . .
H41 H 0.4601 0.4093 0.2395 0.033 Uiso 1 1 calc R U . . .
C42 C 0.5391(3) 0.5554(2) 0.2475(2) 0.0231(7) Uani 1 1 d . . . . .
C43 C 0.2831(3) 0.5469(3) 0.1806(2) 0.0263(7) Uani 1 1 d . . . . .
C44 C 0.2683(3) 0.5808(3) 0.1019(2) 0.0302(8) Uani 1 1 d . . . . .
H44 H 0.3122 0.6432 0.0951 0.036 Uiso 1 1 calc R U . . .
C45 C 0.1912(4) 0.5247(3) 0.0348(2) 0.0396(9) Uani 1 1 d . . . . .
H45 H 0.1839 0.5470 -0.0186 0.048 Uiso 1 1 calc R U . . .
C46 C 0.1241(4) 0.4354(3) 0.0460(3) 0.0398(9) Uani 1 1 d . . . . .
H46 H 0.0702 0.3966 0.0002 0.048 Uiso 1 1 calc R U . . .
C47 C 0.1352(3) 0.4028(3) 0.1236(2) 0.0363(8) Uani 1 1 d . . . . .
H47 H 0.0873 0.3425 0.1311 0.044 Uiso 1 1 calc R U . . .
C48 C 0.2145(3) 0.4564(3) 0.1897(2) 0.0308(8) Uani 1 1 d . . . . .
H48 H 0.2230 0.4320 0.2421 0.037 Uiso 1 1 calc R U . . .
C49 C 0.3340(3) 0.6015(3) 0.3653(2) 0.0283(7) Uani 1 1 d . . . . .
C50 C 0.2024(3) 0.6038(3) 0.3847(2) 0.0328(8) Uani 1 1 d . . . . .
H50 H 0.1416 0.6085 0.3405 0.039 Uiso 1 1 calc R U . . .
C51 C 0.1608(4) 0.5993(3) 0.4670(3) 0.0393(9) Uani 1 1 d . . . . .
H51 H 0.0717 0.6004 0.4788 0.047 Uiso 1 1 calc R U . . .
C52 C 0.2476(4) 0.5931(3) 0.5327(3) 0.0437(10) Uani 1 1 d . . . . .
H52 H 0.2182 0.5891 0.5892 0.052 Uiso 1 1 calc R U . . .
C53 C 0.3763(4) 0.5928(3) 0.5157(2) 0.0400(9) Uani 1 1 d . . . . .
H53 H 0.4362 0.5899 0.5609 0.048 Uiso 1 1 calc R U . . .
C54 C 0.4197(4) 0.5969(3) 0.4330(2) 0.0333(8) Uani 1 1 d . . . . .
H54 H 0.5091 0.5964 0.4222 0.040 Uiso 1 1 calc R U . . .


_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
As1 C1 1.964(3) . ?
As1 C37 1.972(3) . ?
As1 C19 1.982(3) . ?
P1 C7 1.822(3) . ?
P1 C13 1.833(3) . ?
P1 C6 1.843(3) . ?
P2 C25 1.831(3) . ?
P2 C24 1.834(3) . ?
P2 C31 1.843(3) . ?
P3 C49 1.818(3) . ?
P3 C43 1.821(4) . ?
P3 C42 1.844(3) . ?
C1 C2 1.394(4) . ?
C1 C6 1.409(4) . ?
C2 C3 1.385(4) . ?
C2 H2 0.9500 . ?
C3 C4 1.379(5) . ?
C3 H3 0.9500 . ?
C4 C5 1.382(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.392(4) . ?
C5 H5 0.9500 . ?
C7 C8 1.387(4) . ?
C7 C12 1.398(4) . ?
C8 C9 1.392(5) . ?
C8 H8 0.9500 . ?
C9 C10 1.387(5) . ?
C9 H9 0.9500 . ?
C10 C11 1.371(5) . ?
C10 H10 0.9500 . ?
C11 C12 1.374(5) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C14 1.386(5) . ?
C13 C18 1.390(4) . ?
C14 C15 1.392(4) . ?
C14 H14 0.9500 . ?
C15 C16 1.396(5) . ?
C15 H15 0.9500 . ?
C16 C17 1.345(5) . ?
C16 H16 0.9500 . ?
C17 C18 1.401(4) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C20 1.383(4) . ?
C19 C24 1.410(4) . ?
C20 C21 1.395(4) . ?
C20 H20 0.9500 . ?
C21 C22 1.378(5) . ?
C21 H21 0.9500 . ?
C22 C23 1.375(5) . ?
C22 H22 0.9500 . ?
C23 C24 1.394(4) . ?
C23 H23 0.9500 . ?
C25 C26 1.383(5) . ?
C25 C30 1.399(5) . ?
C26 C27 1.397(5) . ?
C26 H26 0.9500 . ?
C27 C28 1.381(5) . ?
C27 H27 0.9500 . ?
C28 C29 1.373(5) . ?
C28 H28 0.9500 . ?
C29 C30 1.387(5) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 C32 1.388(4) . ?
C31 C36 1.392(4) . ?
C32 C33 1.389(5) . ?
C32 H32 0.9500 . ?
C33 C34 1.365(5) . ?
C33 H33 0.9500 . ?
C34 C35 1.378(5) . ?
C34 H34 0.9500 . ?
C35 C36 1.383(5) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C37 C42 1.391(4) . ?
C37 C38 1.407(4) . ?
C38 C39 1.366(5) . ?
C38 H38 0.9500 . ?
C39 C40 1.384(5) . ?
C39 H39 0.9500 . ?
C40 C41 1.377(5) . ?
C40 H40 0.9500 . ?
C41 C42 1.394(4) . ?
C41 H41 0.9500 . ?
C43 C48 1.398(5) . ?
C43 C44 1.410(5) . ?
C44 C45 1.377(5) . ?
C44 H44 0.9500 . ?
C45 C46 1.388(6) . ?
C45 H45 0.9500 . ?
C46 C47 1.380(5) . ?
C46 H46 0.9500 . ?
C47 C48 1.369(5) . ?
C47 H47 0.9500 . ?
C48 H48 0.9500 . ?
C49 C54 1.396(5) . ?
C49 C50 1.410(5) . ?
C50 C51 1.376(5) . ?
C50 H50 0.9500 . ?
C51 C52 1.385(6) . ?
C51 H51 0.9500 . ?
C52 C53 1.372(6) . ?
C52 H52 0.9500 . ?
C53 C54 1.387(5) . ?
C53 H53 0.9500 . ?
C54 H54 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
C1 As1 C37 96.04(12) . . ?
C1 As1 C19 100.33(12) . . ?
C37 As1 C19 96.90(12) . . ?
C7 P1 C13 101.61(14) . . ?
C7 P1 C6 103.11(14) . . ?
C13 P1 C6 104.80(14) . . ?
C25 P2 C24 102.08(15) . . ?
C25 P2 C31 101.74(14) . . ?
C24 P2 C31 101.23(14) . . ?
C49 P3 C43 103.84(16) . . ?
C49 P3 C42 101.34(15) . . ?
C43 P3 C42 102.22(15) . . ?
C2 C1 C6 119.3(3) . . ?
C2 C1 As1 123.2(2) . . ?
C6 C1 As1 117.5(2) . . ?
C3 C2 C1 120.9(3) . . ?
C3 C2 H2 119.6 . . ?
C1 C2 H2 119.6 . . ?
C4 C3 C2 120.0(3) . . ?
C4 C3 H3 120.0 . . ?
C2 C3 H3 120.0 . . ?
C3 C4 C5 119.7(3) . . ?
C3 C4 H4 120.2 . . ?
C5 C4 H4 120.2 . . ?
C4 C5 C6 121.7(3) . . ?
C4 C5 H5 119.2 . . ?
C6 C5 H5 119.2 . . ?
C5 C6 C1 118.5(3) . . ?
C5 C6 P1 124.2(2) . . ?
C1 C6 P1 117.3(2) . . ?
C8 C7 C12 118.8(3) . . ?
C8 C7 P1 124.0(2) . . ?
C12 C7 P1 117.1(2) . . ?
C7 C8 C9 120.3(3) . . ?
C7 C8 H8 119.8 . . ?
C9 C8 H8 119.8 . . ?
C10 C9 C8 119.7(3) . . ?
C10 C9 H9 120.1 . . ?
C8 C9 H9 120.1 . . ?
C11 C10 C9 120.2(3) . . ?
C11 C10 H10 119.9 . . ?
C9 C10 H10 119.9 . . ?
C10 C11 C12 120.4(3) . . ?
C10 C11 H11 119.8 . . ?
C12 C11 H11 119.8 . . ?
C11 C12 C7 120.7(3) . . ?
C11 C12 H12 119.7 . . ?
C7 C12 H12 119.7 . . ?
C14 C13 C18 118.6(3) . . ?
C14 C13 P1 123.0(2) . . ?
C18 C13 P1 118.4(2) . . ?
C13 C14 C15 120.7(3) . . ?
C13 C14 H14 119.7 . . ?
C15 C14 H14 119.7 . . ?
C14 C15 C16 119.6(3) . . ?
C14 C15 H15 120.2 . . ?
C16 C15 H15 120.2 . . ?
C17 C16 C15 120.1(3) . . ?
C17 C16 H16 119.9 . . ?
C15 C16 H16 119.9 . . ?
C16 C17 C18 120.7(3) . . ?
C16 C17 H17 119.6 . . ?
C18 C17 H17 119.6 . . ?
C13 C18 C17 120.3(3) . . ?
C13 C18 H18 119.9 . . ?
C17 C18 H18 119.9 . . ?
C20 C19 C24 118.5(3) . . ?
C20 C19 As1 120.9(2) . . ?
C24 C19 As1 120.3(2) . . ?
C19 C20 C21 121.0(3) . . ?
C19 C20 H20 119.5 . . ?
C21 C20 H20 119.5 . . ?
C22 C21 C20 120.1(3) . . ?
C22 C21 H21 119.9 . . ?
C20 C21 H21 119.9 . . ?
C23 C22 C21 119.7(3) . . ?
C23 C22 H22 120.2 . . ?
C21 C22 H22 120.2 . . ?
C22 C23 C24 121.0(3) . . ?
C22 C23 H23 119.5 . . ?
C24 C23 H23 119.5 . . ?
C23 C24 C19 119.7(3) . . ?
C23 C24 P2 122.0(2) . . ?
C19 C24 P2 118.4(2) . . ?
C26 C25 C30 118.0(3) . . ?
C26 C25 P2 124.8(3) . . ?
C30 C25 P2 117.1(3) . . ?
C25 C26 C27 120.9(3) . . ?
C25 C26 H26 119.5 . . ?
C27 C26 H26 119.5 . . ?
C28 C27 C26 119.9(3) . . ?
C28 C27 H27 120.0 . . ?
C26 C27 H27 120.0 . . ?
C29 C28 C27 119.9(3) . . ?
C29 C28 H28 120.0 . . ?
C27 C28 H28 120.0 . . ?
C28 C29 C30 120.2(4) . . ?
C28 C29 H29 119.9 . . ?
C30 C29 H29 119.9 . . ?
C29 C30 C25 121.0(3) . . ?
C29 C30 H30 119.5 . . ?
C25 C30 H30 119.5 . . ?
C32 C31 C36 118.2(3) . . ?
C32 C31 P2 124.2(2) . . ?
C36 C31 P2 117.5(2) . . ?
C31 C32 C33 120.7(3) . . ?
C31 C32 H32 119.7 . . ?
C33 C32 H32 119.7 . . ?
C34 C33 C32 120.1(3) . . ?
C34 C33 H33 120.0 . . ?
C32 C33 H33 120.0 . . ?
C33 C34 C35 120.3(3) . . ?
C33 C34 H34 119.8 . . ?
C35 C34 H34 119.8 . . ?
C34 C35 C36 119.8(4) . . ?
C34 C35 H35 120.1 . . ?
C36 C35 H35 120.1 . . ?
C35 C36 C31 120.8(3) . . ?
C35 C36 H36 119.6 . . ?
C31 C36 H36 119.6 . . ?
C42 C37 C38 118.4(3) . . ?
C42 C37 As1 119.3(2) . . ?
C38 C37 As1 122.2(2) . . ?
C39 C38 C37 121.7(3) . . ?
C39 C38 H38 119.2 . . ?
C37 C38 H38 119.2 . . ?
C38 C39 C40 119.4(3) . . ?
C38 C39 H39 120.3 . . ?
C40 C39 H39 120.3 . . ?
C41 C40 C39 120.1(3) . . ?
C41 C40 H40 120.0 . . ?
C39 C40 H40 120.0 . . ?
C40 C41 C42 121.0(3) . . ?
C40 C41 H41 119.5 . . ?
C42 C41 H41 119.5 . . ?
C37 C42 C41 119.4(3) . . ?
C37 C42 P3 118.3(2) . . ?
C41 C42 P3 122.3(2) . . ?
C48 C43 C44 118.3(3) . . ?
C48 C43 P3 125.9(3) . . ?
C44 C43 P3 115.8(3) . . ?
C45 C44 C43 120.9(3) . . ?
C45 C44 H44 119.6 . . ?
C43 C44 H44 119.6 . . ?
C44 C45 C46 119.4(4) . . ?
C44 C45 H45 120.3 . . ?
C46 C45 H45 120.3 . . ?
C47 C46 C45 120.3(4) . . ?
C47 C46 H46 119.9 . . ?
C45 C46 H46 119.9 . . ?
C48 C47 C46 120.7(4) . . ?
C48 C47 H47 119.7 . . ?
C46 C47 H47 119.7 . . ?
C47 C48 C43 120.4(3) . . ?
C47 C48 H48 119.8 . . ?
C43 C48 H48 119.8 . . ?
C54 C49 C50 117.4(3) . . ?
C54 C49 P3 121.2(3) . . ?
C50 C49 P3 120.5(3) . . ?
C51 C50 C49 120.8(4) . . ?
C51 C50 H50 119.6 . . ?
C49 C50 H50 119.6 . . ?
C50 C51 C52 120.7(4) . . ?
C50 C51 H51 119.7 . . ?
C52 C51 H51 119.7 . . ?
C53 C52 C51 119.5(4) . . ?
C53 C52 H52 120.3 . . ?
C51 C52 H52 120.3 . . ?
C52 C53 C54 120.5(4) . . ?
C52 C53 H53 119.7 . . ?
C54 C53 H53 119.7 . . ?
C53 C54 C49 121.1(4) . . ?
C53 C54 H54 119.5 . . ?
C49 C54 H54 119.5 . . ?

_refine_diff_density_max         2.352
_refine_diff_density_min         -0.964
_refine_diff_density_rms         0.112

####################################################################### 
# 
# 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_y
_database_code_depnum_ccdc_archive 'CCDC 1523981'
_audit_update_record             
;
2017-01-31 deposited with the CCDC.
2017-02-02 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C111 H87 Cl9 P6 Sb2'
_chemical_formula_weight         2169.17

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   15.442(5)
_cell_length_b                   15.443(5)
_cell_length_c                   22.924(8)
_cell_angle_alpha                89.098(18)
_cell_angle_beta                 87.977(18)
_cell_angle_gamma                60.383(14)
_cell_volume                     4750(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    6972
_cell_measurement_theta_min      2.34
_cell_measurement_theta_max      27.17

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.517
_exptl_crystal_F_000             2196
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.37
_exptl_crystal_size_min          0.28
_exptl_absorpt_coefficient_mu    0.974
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6032
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            65695
_diffrn_reflns_av_unetI/netI     0.0534
_diffrn_reflns_av_R_equivalents  0.0489
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_theta_min         0.889
_diffrn_reflns_theta_max         30.282
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.700
_diffrn_measured_fraction_theta_full 0.933
_diffrn_reflns_Laue_measured_fraction_max 0.700
_diffrn_reflns_Laue_measured_fraction_full 0.933
_diffrn_reflns_point_group_measured_fraction_max 0.700
_diffrn_reflns_point_group_measured_fraction_full 0.933
_reflns_number_total             19868
_reflns_number_gt                17218
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1312P)²+49.1873P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    riding
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         19868
_refine_ls_number_parameters     1184
_refine_ls_number_restraints     15
_refine_ls_R_factor_all          0.0839
_refine_ls_R_factor_gt           0.0713
_refine_ls_wR_factor_ref         0.2377
_refine_ls_wR_factor_gt          0.2193
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_restrained_S_all      1.057
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
Sb1 Sb 0.34301(3) 0.80205(3) 0.14699(2) 0.01245(12) Uani 1 1 d . . . . .
Sb2 Sb 0.66203(3) 0.13821(3) 0.35220(2) 0.01200(12) Uani 1 1 d . . . . .
Cl1 Cl 0.64093(13) 0.31512(13) 0.57433(10) 0.0306(4) Uani 1 1 d . . . . .
Cl2 Cl 0.58066(14) 0.16748(14) 0.56198(13) 0.0438(6) Uani 1 1 d . . . . .
Cl3 Cl 0.78599(12) 0.10712(13) 0.58167(9) 0.0272(4) Uani 1 1 d . . . . .
Cl4 Cl 0.66025(15) 0.25339(14) 0.06018(14) 0.0484(7) Uani 1 1 d . . . . .
Cl5 Cl 0.59352(13) 0.11171(13) 0.08188(9) 0.0274(4) Uani 1 1 d . . . . .
Cl6 Cl 0.80321(13) 0.04700(13) 0.07549(10) 0.0301(4) Uani 1 1 d . . . . .
P1 P 0.16383(12) 1.02274(11) 0.09982(8) 0.0150(3) Uani 1 1 d . . . . .
P2 P 0.56474(11) 0.77616(11) 0.10551(7) 0.0134(3) Uani 1 1 d . . . . .
P3 P 0.32114(12) 0.61310(12) 0.09423(8) 0.0154(3) Uani 1 1 d . . . . .
P4 P 0.44331(11) 0.17275(11) 0.40619(7) 0.0128(3) Uani 1 1 d . . . . .
P5 P 0.85170(12) -0.07936(11) 0.39490(7) 0.0142(3) Uani 1 1 d . . . . .
P6 P 0.69299(12) 0.32613(11) 0.39828(7) 0.0135(3) Uani 1 1 d . . . . .
C1 C 0.2764(5) 0.9391(4) 0.1988(3) 0.0137(12) Uani 1 1 d . . . . .
C2 C 0.3075(5) 0.9407(5) 0.2547(3) 0.0210(13) Uani 1 1 d . . . . .
H2 H 0.3577 0.8820 0.2703 0.025 Uiso 1 1 calc R U . . .
C3 C 0.2659(5) 1.0276(6) 0.2881(3) 0.0248(15) Uani 1 1 d . . . . .
H3 H 0.2880 1.0271 0.3253 0.030 Uiso 1 1 calc R U . . .
C4 C 0.1910(5) 1.1146(5) 0.2647(3) 0.0249(15) Uani 1 1 d . . . . .
H4 H 0.1628 1.1734 0.2862 0.030 Uiso 1 1 calc R U . . .
C5 C 0.1582(5) 1.1143(5) 0.2096(3) 0.0216(14) Uani 1 1 d . . . . .
H5 H 0.1066 1.1730 0.1949 0.026 Uiso 1 1 calc R U . . .
C6 C 0.2004(5) 1.0280(4) 0.1751(3) 0.0137(11) Uani 1 1 d . . . . .
C7 C 0.0662(5) 1.1517(5) 0.0884(3) 0.0191(13) Uani 1 1 d . . . . .
C8 C 0.0917(5) 1.2263(5) 0.0884(4) 0.0282(16) Uani 1 1 d . . . . .
H8 H 0.1571 1.2098 0.0953 0.034 Uiso 1 1 calc R U . . .
C9 C 0.0223(6) 1.3235(5) 0.0787(4) 0.0300(17) Uani 1 1 d . . . . .
H9 H 0.0403 1.3727 0.0800 0.036 Uiso 1 1 calc R U . . .
C10 C -0.0754(5) 1.3490(5) 0.0667(4) 0.0274(16) Uani 1 1 d . . . . .
H10 H -0.1226 1.4150 0.0595 0.033 Uiso 1 1 calc R U . . .
C11 C -0.1011(5) 1.2761(5) 0.0657(3) 0.0218(14) Uani 1 1 d . . . . .
H11 H -0.1663 1.2931 0.0578 0.026 Uiso 1 1 calc R U . . .
C12 C -0.0315(5) 1.1770(5) 0.0763(3) 0.0180(13) Uani 1 1 d . . . . .
H12 H -0.0499 1.1281 0.0754 0.022 Uiso 1 1 calc R U . . .
C13 C 0.0925(5) 0.9588(4) 0.1128(3) 0.0156(12) Uani 1 1 d . . . . .
C14 C 0.0330(5) 0.9734(5) 0.1621(3) 0.0178(12) Uani 1 1 d . . . . .
H14 H 0.0262 1.0199 0.1898 0.021 Uiso 1 1 calc R U . . .
C15 C -0.0169(5) 0.9202(5) 0.1711(3) 0.0201(13) Uani 1 1 d . . . . .
H15 H -0.0574 0.9314 0.2043 0.024 Uiso 1 1 calc R U . . .
C16 C -0.0058(5) 0.8498(5) 0.1300(3) 0.0215(14) Uani 1 1 d . . . . .
H16 H -0.0379 0.8128 0.1362 0.026 Uiso 1 1 calc R U . . .
C17 C 0.0527(5) 0.8345(5) 0.0801(3) 0.0217(14) Uani 1 1 d . . . . .
H17 H 0.0588 0.7883 0.0524 0.026 Uiso 1 1 calc R U . . .
C18 C 0.1025(5) 0.8884(5) 0.0713(3) 0.0188(13) Uani 1 1 d . . . . .
H18 H 0.1424 0.8777 0.0379 0.023 Uiso 1 1 calc R U . . .
C19 C 0.4751(4) 0.7298(4) 0.1987(3) 0.0134(11) Uani 1 1 d . . . . .
C20 C 0.4729(5) 0.6889(5) 0.2522(3) 0.0194(13) Uani 1 1 d . . . . .
H20 H 0.4154 0.6879 0.2647 0.023 Uiso 1 1 calc R U . . .
C21 C 0.5543(5) 0.6492(5) 0.2877(3) 0.0179(12) Uani 1 1 d . . . . .
H21 H 0.5515 0.6211 0.3233 0.021 Uiso 1 1 calc R U . . .
C22 C 0.6400(5) 0.6513(5) 0.2702(3) 0.0187(13) Uani 1 1 d . . . . .
H22 H 0.6943 0.6259 0.2943 0.022 Uiso 1 1 calc R U . . .
C23 C 0.6437(5) 0.6916(5) 0.2164(3) 0.0178(12) Uani 1 1 d . . . . .
H23 H 0.7010 0.6932 0.2045 0.021 Uiso 1 1 calc R U . . .
C24 C 0.5623(5) 0.7299(4) 0.1796(3) 0.0146(12) Uani 1 1 d . . . . .
C25 C 0.6931(5) 0.7486(5) 0.0939(3) 0.0177(12) Uani 1 1 d . . . . .
C26 C 0.7703(5) 0.6520(5) 0.0992(3) 0.0210(13) Uani 1 1 d . . . . .
H26 H 0.7559 0.6028 0.1118 0.025 Uiso 1 1 calc R U . . .
C27 C 0.8694(5) 0.6258(5) 0.0864(3) 0.0238(14) Uani 1 1 d . . . . .
H27 H 0.9202 0.5607 0.0918 0.029 Uiso 1 1 calc R U . . .
C28 C 0.8909(5) 0.6974(5) 0.0657(3) 0.0237(15) Uani 1 1 d . . . . .
H28 H 0.9564 0.6809 0.0564 0.028 Uiso 1 1 calc R U . . .
C29 C 0.8144(5) 0.7942(5) 0.0587(3) 0.0224(14) Uani 1 1 d . . . . .
H29 H 0.8286 0.8426 0.0442 0.027 Uiso 1 1 calc R U . . .
C30 C 0.7158(5) 0.8198(5) 0.0735(3) 0.0181(13) Uani 1 1 d . . . . .
H30 H 0.6652 0.8854 0.0696 0.022 Uiso 1 1 calc R U . . .
C31 C 0.4972(4) 0.9114(4) 0.1175(3) 0.0148(12) Uani 1 1 d . . . . .
C32 C 0.4971(5) 0.9577(5) 0.1702(3) 0.0169(12) Uani 1 1 d . . . . .
H32 H 0.5353 0.9190 0.2008 0.020 Uiso 1 1 calc R U . . .
C33 C 0.4412(5) 1.0592(5) 0.1768(3) 0.0191(13) Uani 1 1 d . . . . .
H33 H 0.4412 1.0888 0.2119 0.023 Uiso 1 1 calc R U . . .
C34 C 0.3849(5) 1.1175(5) 0.1312(3) 0.0197(13) Uani 1 1 d . . . . .
H34 H 0.3471 1.1863 0.1355 0.024 Uiso 1 1 calc R U . . .
C35 C 0.3850(5) 1.0729(5) 0.0789(3) 0.0216(14) Uani 1 1 d . . . . .
H35 H 0.3477 1.1120 0.0482 0.026 Uiso 1 1 calc R U . . .
C36 C 0.4409(5) 0.9702(5) 0.0726(3) 0.0197(13) Uani 1 1 d . . . . .
H36 H 0.4402 0.9409 0.0376 0.024 Uiso 1 1 calc R U . . .
C37 C 0.2660(4) 0.7360(5) 0.1933(3) 0.0155(12) Uani 1 1 d . . . . .
C38 C 0.2187(5) 0.7722(5) 0.2484(3) 0.0206(13) Uani 1 1 d . . . . .
H38 H 0.2188 0.8269 0.2648 0.025 Uiso 1 1 calc R U . . .
C39 C 0.1723(5) 0.7271(5) 0.2784(3) 0.0234(14) Uani 1 1 d . . . . .
H39 H 0.1407 0.7515 0.3145 0.028 Uiso 1 1 calc R U . . .
C40 C 0.1735(5) 0.6451(5) 0.2538(3) 0.0227(14) Uani 1 1 d . . . . .
H40 H 0.1430 0.6142 0.2740 0.027 Uiso 1 1 calc R U . . .
C41 C 0.2188(5) 0.6087(5) 0.2004(3) 0.0206(13) Uani 1 1 d . . . . .
H41 H 0.2188 0.5534 0.1849 0.025 Uiso 1 1 calc R U . . .
C42 C 0.2652(5) 0.6538(5) 0.1688(3) 0.0177(13) Uani 1 1 d . . . . .
C43 C 0.2958(5) 0.5126(5) 0.0786(3) 0.0178(13) Uani 1 1 d . . . . .
C44 C 0.1977(5) 0.5387(5) 0.0674(3) 0.0220(14) Uani 1 1 d . . . . .
H44 H 0.1480 0.6051 0.0706 0.026 Uiso 1 1 calc R U . . .
C45 C 0.1730(5) 0.4678(5) 0.0518(3) 0.0248(15) Uani 1 1 d . . . . .
H45 H 0.1067 0.4866 0.0459 0.030 Uiso 1 1 calc R U . . .
C46 C 0.2460(5) 0.3688(5) 0.0448(3) 0.0218(14) Uani 1 1 d . . . . .
H46 H 0.2293 0.3210 0.0344 0.026 Uiso 1 1 calc R U . . .
C47 C 0.3446(5) 0.3424(5) 0.0537(3) 0.0214(14) Uani 1 1 d . . . . .
H47 H 0.3946 0.2766 0.0485 0.026 Uiso 1 1 calc R U . . .
C48 C 0.3688(5) 0.4131(5) 0.0703(3) 0.0159(12) Uani 1 1 d . . . . .
H48 H 0.4352 0.3941 0.0760 0.019 Uiso 1 1 calc R U . . .
C49 C 0.4542(5) 0.5476(4) 0.1094(3) 0.0158(12) Uani 1 1 d . . . . .
C50 C 0.4934(5) 0.4901(5) 0.1588(3) 0.0197(13) Uani 1 1 d . . . . .
H50 H 0.4513 0.4819 0.1855 0.024 Uiso 1 1 calc R U . . .
C51 C 0.5936(5) 0.4450(5) 0.1687(3) 0.0201(13) Uani 1 1 d . . . . .
H51 H 0.6191 0.4063 0.2019 0.024 Uiso 1 1 calc R U . . .
C52 C 0.6569(5) 0.4574(5) 0.1290(3) 0.0206(13) Uani 1 1 d . . . . .
H52 H 0.7247 0.4275 0.1357 0.025 Uiso 1 1 calc R U . . .
C53 C 0.6187(5) 0.5144(5) 0.0795(3) 0.0219(14) Uani 1 1 d . . . . .
H53 H 0.6607 0.5227 0.0528 0.026 Uiso 1 1 calc R U . . .
C54 C 0.5177(5) 0.5588(5) 0.0698(3) 0.0188(13) Uani 1 1 d . . . . .
H54 H 0.4922 0.5966 0.0363 0.023 Uiso 1 1 calc R U . . .
C55 C 0.5247(4) 0.2120(4) 0.3057(3) 0.0125(11) Uani 1 1 d . . . . .
C56 C 0.5207(5) 0.2520(5) 0.2496(3) 0.0193(13) Uani 1 1 d . . . . .
H56 H 0.5780 0.2473 0.2320 0.023 Uiso 1 1 calc R U . . .
C57 C 0.4324(5) 0.2978(5) 0.2208(3) 0.0191(13) Uani 1 1 d . . . . .
H57 H 0.4310 0.3241 0.1838 0.023 Uiso 1 1 calc R U . . .
C58 C 0.3466(5) 0.3058(5) 0.2453(3) 0.0213(13) Uani 1 1 d . . . . .
H58 H 0.2875 0.3375 0.2253 0.026 Uiso 1 1 calc R U . . .
C59 C 0.3490(5) 0.2657(5) 0.3005(3) 0.0197(13) Uani 1 1 d . . . . .
H59 H 0.2912 0.2698 0.3170 0.024 Uiso 1 1 calc R U . . .
C60 C 0.4368(4) 0.2197(4) 0.3315(3) 0.0127(11) Uani 1 1 d . . . . .
C61 C 0.3157(4) 0.1977(5) 0.4217(3) 0.0134(11) Uani 1 1 d . . . . .
C62 C 0.2421(5) 0.2973(5) 0.4305(3) 0.0203(13) Uani 1 1 d . . . . .
H62 H 0.2585 0.3474 0.4255 0.024 Uiso 1 1 calc R U . . .
C63 C 0.1459(5) 0.3219(5) 0.4463(3) 0.0219(14) Uani 1 1 d . . . . .
H63 H 0.0979 0.3884 0.4518 0.026 Uiso 1 1 calc R U . . .
C64 C 0.1197(5) 0.2488(5) 0.4542(3) 0.0209(13) Uani 1 1 d . . . . .
H64 H 0.0547 0.2654 0.4651 0.025 Uiso 1 1 calc R U . . .
C65 C 0.1925(5) 0.1498(5) 0.4454(3) 0.0165(12) Uani 1 1 d . . . . .
H65 H 0.1759 0.0999 0.4506 0.020 Uiso 1 1 calc R U . . .
C66 C 0.2896(5) 0.1247(5) 0.4291(3) 0.0153(12) Uani 1 1 d . . . . .
H66 H 0.3373 0.0582 0.4231 0.018 Uiso 1 1 calc R U . . .
C67 C 0.5120(4) 0.0379(4) 0.3917(3) 0.0132(11) Uani 1 1 d . . . . .
C68 C 0.4989(5) -0.0060(5) 0.3424(3) 0.0168(12) Uani 1 1 d . . . . .
H68 H 0.4518 0.0336 0.3154 0.020 Uiso 1 1 calc R U . . .
C69 C 0.5551(5) -0.1074(5) 0.3332(3) 0.0202(13) Uani 1 1 d . . . . .
H69 H 0.5456 -0.1361 0.3004 0.024 Uiso 1 1 calc R U . . .
C70 C 0.6257(5) -0.1663(5) 0.3732(3) 0.0179(13) Uani 1 1 d . . . . .
H70 H 0.6649 -0.2344 0.3665 0.022 Uiso 1 1 calc R U . . .
C71 C 0.6382(5) -0.1241(5) 0.4232(3) 0.0190(13) Uani 1 1 d . . . . .
H71 H 0.6844 -0.1643 0.4504 0.023 Uiso 1 1 calc R U . . .
C72 C 0.5819(5) -0.0225(5) 0.4323(3) 0.0147(12) Uani 1 1 d . . . . .
H72 H 0.5906 0.0058 0.4656 0.018 Uiso 1 1 calc R U . . .
C73 C 0.7279(4) 0.0017(4) 0.3006(3) 0.0129(11) Uani 1 1 d . . . . .
C74 C 0.6897(5) -0.0017(5) 0.2468(3) 0.0196(13) Uani 1 1 d . . . . .
H74 H 0.6328 0.0541 0.2339 0.024 Uiso 1 1 calc R U . . .
C75 C 0.7350(5) -0.0869(5) 0.2123(3) 0.0218(14) Uani 1 1 d . . . . .
H75 H 0.7081 -0.0878 0.1767 0.026 Uiso 1 1 calc R U . . .
C76 C 0.8199(5) -0.1705(5) 0.2307(3) 0.0223(14) Uani 1 1 d . . . . .
H76 H 0.8510 -0.2274 0.2075 0.027 Uiso 1 1 calc R U . . .
C77 C 0.8582(5) -0.1686(5) 0.2840(3) 0.0208(13) Uani 1 1 d . . . . .
H77 H 0.9156 -0.2247 0.2962 0.025 Uiso 1 1 calc R U . . .
C78 C 0.8123(5) -0.0832(5) 0.3206(3) 0.0157(12) Uani 1 1 d . . . . .
C79 C 0.9518(5) -0.2070(4) 0.4059(3) 0.0160(12) Uani 1 1 d . . . . .
C80 C 0.9310(5) -0.2856(5) 0.4013(3) 0.0216(14) Uani 1 1 d . . . . .
H80 H 0.8684 -0.2723 0.3900 0.026 Uiso 1 1 calc R U . . .
C81 C 1.0023(5) -0.3816(5) 0.4134(3) 0.0224(14) Uani 1 1 d . . . . .
H81 H 0.9886 -0.4334 0.4089 0.027 Uiso 1 1 calc R U . . .
C82 C 1.0950(5) -0.4016(5) 0.4325(4) 0.0261(15) Uani 1 1 d . . . . .
H82 H 1.1434 -0.4668 0.4404 0.031 Uiso 1 1 calc R U . . .
C83 C 1.1153(5) -0.3247(5) 0.4397(3) 0.0222(14) Uani 1 1 d . . . . .
H83 H 1.1761 -0.3377 0.4541 0.027 Uiso 1 1 calc R U . . .
C84 C 1.0446(5) -0.2282(5) 0.4254(3) 0.0179(13) Uani 1 1 d . . . . .
H84 H 1.0594 -0.1770 0.4288 0.022 Uiso 1 1 calc R U . . .
C85 C 0.9201(4) -0.0118(4) 0.3842(3) 0.0141(12) Uani 1 1 d . . . . .
C86 C 0.9763(5) -0.0199(5) 0.3336(3) 0.0168(12) Uani 1 1 d . . . . .
H86 H 0.9817 -0.0627 0.3038 0.020 Uiso 1 1 calc R U . . .
C87 C 1.0241(5) 0.0356(5) 0.3274(3) 0.0206(13) Uani 1 1 d . . . . .
H87 H 1.0623 0.0292 0.2938 0.025 Uiso 1 1 calc R U . . .
C88 C 1.0151(5) 0.1010(5) 0.3713(3) 0.0228(14) Uani 1 1 d . . . . .
H88 H 1.0458 0.1396 0.3665 0.027 Uiso 1 1 calc R U . . .
C89 C 0.9608(5) 0.1087(5) 0.4222(3) 0.0223(14) Uani 1 1 d . . . . .
H89 H 0.9564 0.1511 0.4519 0.027 Uiso 1 1 calc R U . . .
C90 C 0.9125(5) 0.0524(5) 0.4286(3) 0.0188(13) Uani 1 1 d . . . . .
H90 H 0.8753 0.0579 0.4625 0.023 Uiso 1 1 calc R U . . .
C91 C 0.7373(4) 0.2011(4) 0.3013(3) 0.0173(13) Uani 1 1 d . . . . .
C92 C 0.7772(5) 0.1651(5) 0.2446(3) 0.0157(12) Uani 1 1 d . . . . .
H92 H 0.7708 0.1133 0.2291 0.019 Uiso 1 1 calc R U . . .
C93 C 0.8250(5) 0.2051(5) 0.2121(3) 0.0189(13) Uani 1 1 d . . . . .
H93 H 0.8524 0.1792 0.1754 0.023 Uiso 1 1 calc R U . . .
C94 C 0.8323(5) 0.2841(5) 0.2341(3) 0.0227(14) Uani 1 1 d . . . . .
H94 H 0.8641 0.3118 0.2120 0.027 Uiso 1 1 calc R U . . .
C95 C 0.7922(5) 0.3221(5) 0.2892(3) 0.0180(13) Uani 1 1 d . . . . .
H95 H 0.7970 0.3757 0.3033 0.022 Uiso 1 1 calc R U . . .
C96 C 0.7450(4) 0.2815(4) 0.3237(3) 0.0124(11) Uani 1 1 d . . . . .
C97 C 0.7227(5) 0.4246(5) 0.4107(3) 0.0156(12) Uani 1 1 d . . . . .
C98 C 0.8226(5) 0.3998(5) 0.4120(3) 0.0194(13) Uani 1 1 d . . . . .
H98 H 0.8720 0.3341 0.4056 0.023 Uiso 1 1 calc R U . . .
C99 C 0.8496(5) 0.4709(5) 0.4226(3) 0.0226(14) Uani 1 1 d . . . . .
H99 H 0.9165 0.4535 0.4218 0.027 Uiso 1 1 calc R U . . .
C100 C 0.7764(5) 0.5689(5) 0.4347(3) 0.0220(14) Uani 1 1 d . . . . .
H100 H 0.7943 0.6171 0.4415 0.026 Uiso 1 1 calc R U . . .
C101 C 0.6768(5) 0.5942(5) 0.4364(3) 0.0182(13) Uani 1 1 d . . . . .
H101 H 0.6277 0.6590 0.4454 0.022 Uiso 1 1 calc R U . . .
C102 C 0.6507(5) 0.5223(5) 0.4246(3) 0.0173(12) Uani 1 1 d . . . . .
H102 H 0.5838 0.5397 0.4260 0.021 Uiso 1 1 calc R U . . .
C103 C 0.5597(4) 0.3958(4) 0.3843(3) 0.0143(12) Uani 1 1 d . . . . .
C104 C 0.4930(5) 0.3951(5) 0.4271(3) 0.0190(13) Uani 1 1 d . . . . .
H104 H 0.5168 0.3618 0.4621 0.023 Uiso 1 1 calc R U . . .
C105 C 0.3911(5) 0.4444(5) 0.4172(3) 0.0196(13) Uani 1 1 d . . . . .
H105 H 0.3469 0.4445 0.4459 0.024 Uiso 1 1 calc R U . . .
C106 C 0.3555(5) 0.4929(5) 0.3655(3) 0.0194(13) Uani 1 1 d . . . . .
H106 H 0.2875 0.5253 0.3591 0.023 Uiso 1 1 calc R U . . .
C107 C 0.4214(5) 0.4938(5) 0.3222(3) 0.0183(13) Uani 1 1 d . . . . .
H107 H 0.3972 0.5268 0.2871 0.022 Uiso 1 1 calc R U . . .
C108 C 0.5221(5) 0.4458(5) 0.3317(3) 0.0179(13) Uani 1 1 d . . . . .
H108 H 0.5657 0.4465 0.3029 0.021 Uiso 1 1 calc R U . . .
C109 C 0.6768(5) 0.1954(5) 0.5476(4) 0.0263(15) Uani 1 1 d . . . . .
H109 H 0.6899 0.1936 0.5053 0.032 Uiso 1 1 calc R U . . .
C110 C 0.6863(4) 0.1313(5) 0.0492(3) 0.0167(12) Uani 1 1 d . . . . .
H110 H 0.6876 0.1204 0.0071 0.020 Uiso 1 1 calc R U . . .
C111 C 0.0170(8) 0.4243(10) 0.2340(5) 0.048(3) Uani 0.766(6) 1 d D . P A 1
H111 H 0.0350 0.3617 0.2140 0.057 Uiso 0.766(6) 1 calc R U P A 1
Cl7 Cl 0.0726(2) 0.4808(4) 0.19468(17) 0.0651(13) Uani 0.766(6) 1 d D . P A 1
Cl8 Cl -0.1123(2) 0.4961(3) 0.23455(18) 0.0544(10) Uani 0.766(6) 1 d D . P A 1
Cl9 Cl 0.0615(7) 0.3940(5) 0.3045(3) 0.0509(15) Uani 0.766(6) 1 d D . P A 1
C112 C 0.0144(17) 0.4778(13) 0.2502(11) 0.048(3) Uani 0.234(6) 1 d D . P A -1
H112 H 0.0609 0.4953 0.2303 0.057 Uiso 0.234(6) 1 calc R U P A -1
Cl10 Cl 0.073(2) 0.4051(17) 0.3105(11) 0.076(11) Uani 0.234(6) 1 d D . P A -1
Cl11 Cl -0.0144(12) 0.4114(9) 0.2013(6) 0.069(4) Uani 0.234(6) 1 d D . P A -1
Cl12 Cl -0.0913(7) 0.5878(6) 0.2715(4) 0.039(3) Uani 0.234(6) 1 d D . P A -1


_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
Sb1 C37 2.157(6) . ?
Sb1 C19 2.165(6) . ?
Sb1 C1 2.189(6) . ?
Sb2 C91 2.154(6) . ?
Sb2 C55 2.160(6) . ?
Sb2 C73 2.180(6) . ?
Cl1 C109 1.761(7) . ?
Cl2 C109 1.759(8) . ?
Cl3 C109 1.760(8) . ?
Cl4 C110 1.743(7) . ?
Cl5 C110 1.747(6) . ?
Cl6 C110 1.746(7) . ?
P1 C13 1.822(6) . ?
P1 C7 1.831(6) . ?
P1 C6 1.849(7) . ?
P2 C25 1.821(7) . ?
P2 C31 1.836(6) . ?
P2 C24 1.839(7) . ?
P3 C43 1.821(6) . ?
P3 C49 1.830(6) . ?
P3 C42 1.860(7) . ?
P4 C61 1.833(6) . ?
P4 C60 1.836(6) . ?
P4 C67 1.841(6) . ?
P5 C85 1.824(6) . ?
P5 C79 1.826(6) . ?
P5 C78 1.840(7) . ?
P6 C97 1.821(6) . ?
P6 C103 1.829(6) . ?
P6 C96 1.854(6) . ?
C1 C2 1.388(9) . ?
C1 C6 1.409(9) . ?
C2 C3 1.395(10) . ?
C2 H2 0.9300 . ?
C3 C4 1.383(11) . ?
C3 H3 0.9300 . ?
C4 C5 1.378(11) . ?
C4 H4 0.9300 . ?
C5 C6 1.402(9) . ?
C5 H5 0.9300 . ?
C7 C8 1.389(9) . ?
C7 C12 1.397(9) . ?
C8 C9 1.367(10) . ?
C8 H8 0.9300 . ?
C9 C10 1.395(11) . ?
C9 H9 0.9300 . ?
C10 C11 1.367(10) . ?
C10 H10 0.9300 . ?
C11 C12 1.392(9) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C14 1.380(9) . ?
C13 C18 1.402(9) . ?
C14 C15 1.386(9) . ?
C14 H14 0.9300 . ?
C15 C16 1.391(10) . ?
C15 H15 0.9300 . ?
C16 C17 1.380(10) . ?
C16 H16 0.9300 . ?
C17 C18 1.393(9) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 C20 1.377(9) . ?
C19 C24 1.402(8) . ?
C20 C21 1.383(9) . ?
C20 H20 0.9300 . ?
C21 C22 1.383(9) . ?
C21 H21 0.9300 . ?
C22 C23 1.386(10) . ?
C22 H22 0.9300 . ?
C23 C24 1.401(9) . ?
C23 H23 0.9300 . ?
C25 C30 1.380(9) . ?
C25 C26 1.381(9) . ?
C26 C27 1.396(9) . ?
C26 H26 0.9300 . ?
C27 C28 1.377(10) . ?
C27 H27 0.9300 . ?
C28 C29 1.384(10) . ?
C28 H28 0.9300 . ?
C29 C30 1.401(9) . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?
C31 C36 1.377(9) . ?
C31 C32 1.414(9) . ?
C32 C33 1.374(9) . ?
C32 H32 0.9300 . ?
C33 C34 1.386(9) . ?
C33 H33 0.9300 . ?
C34 C35 1.391(10) . ?
C34 H34 0.9300 . ?
C35 C36 1.388(10) . ?
C35 H35 0.9300 . ?
C36 H36 0.9300 . ?
C37 C42 1.401(9) . ?
C37 C38 1.414(10) . ?
C38 C39 1.384(9) . ?
C38 H38 0.9300 . ?
C39 C40 1.385(11) . ?
C39 H39 0.9300 . ?
C40 C41 1.371(10) . ?
C40 H40 0.9300 . ?
C41 C42 1.402(9) . ?
C41 H41 0.9300 . ?
C43 C44 1.394(10) . ?
C43 C48 1.397(9) . ?
C44 C45 1.382(10) . ?
C44 H44 0.9300 . ?
C45 C46 1.387(10) . ?
C45 H45 0.9300 . ?
C46 C47 1.389(10) . ?
C46 H46 0.9300 . ?
C47 C48 1.380(9) . ?
C47 H47 0.9300 . ?
C48 H48 0.9300 . ?
C49 C54 1.384(9) . ?
C49 C50 1.386(9) . ?
C50 C51 1.374(9) . ?
C50 H50 0.9300 . ?
C51 C52 1.393(9) . ?
C51 H51 0.9300 . ?
C52 C53 1.383(10) . ?
C52 H52 0.9300 . ?
C53 C54 1.383(9) . ?
C53 H53 0.9300 . ?
C54 H54 0.9300 . ?
C55 C56 1.408(9) . ?
C55 C60 1.410(8) . ?
C56 C57 1.375(10) . ?
C56 H56 0.9300 . ?
C57 C58 1.369(10) . ?
C57 H57 0.9300 . ?
C58 C59 1.395(10) . ?
C58 H58 0.9300 . ?
C59 C60 1.396(9) . ?
C59 H59 0.9300 . ?
C61 C66 1.379(9) . ?
C61 C62 1.401(9) . ?
C62 C63 1.376(9) . ?
C62 H62 0.9300 . ?
C63 C64 1.382(9) . ?
C63 H63 0.9300 . ?
C64 C65 1.390(9) . ?
C64 H64 0.9300 . ?
C65 C66 1.389(9) . ?
C65 H65 0.9300 . ?
C66 H66 0.9300 . ?
C67 C72 1.397(8) . ?
C67 C68 1.398(9) . ?
C68 C69 1.379(9) . ?
C68 H68 0.9300 . ?
C69 C70 1.385(10) . ?
C69 H69 0.9300 . ?
C70 C71 1.393(10) . ?
C70 H70 0.9300 . ?
C71 C72 1.383(9) . ?
C71 H71 0.9300 . ?
C72 H72 0.9300 . ?
C73 C74 1.398(9) . ?
C73 C78 1.402(8) . ?
C74 C75 1.390(10) . ?
C74 H74 0.9300 . ?
C75 C76 1.383(10) . ?
C75 H75 0.9300 . ?
C76 C77 1.384(11) . ?
C76 H76 0.9300 . ?
C77 C78 1.419(9) . ?
C77 H77 0.9300 . ?
C79 C84 1.392(9) . ?
C79 C80 1.406(9) . ?
C80 C81 1.372(9) . ?
C80 H80 0.9300 . ?
C81 C82 1.392(10) . ?
C81 H81 0.9300 . ?
C82 C83 1.383(10) . ?
C82 H82 0.9300 . ?
C83 C84 1.387(9) . ?
C83 H83 0.9300 . ?
C84 H84 0.9300 . ?
C85 C90 1.394(9) . ?
C85 C86 1.394(9) . ?
C86 C87 1.382(9) . ?
C86 H86 0.9300 . ?
C87 C88 1.393(10) . ?
C87 H87 0.9300 . ?
C88 C89 1.383(11) . ?
C88 H88 0.9300 . ?
C89 C90 1.402(10) . ?
C89 H89 0.9300 . ?
C90 H90 0.9300 . ?
C91 C96 1.412(9) . ?
C91 C92 1.416(9) . ?
C92 C93 1.370(9) . ?
C92 H92 0.9300 . ?
C93 C94 1.384(10) . ?
C93 H93 0.9300 . ?
C94 C95 1.390(10) . ?
C94 H94 0.9300 . ?
C95 C96 1.395(8) . ?
C95 H95 0.9300 . ?
C97 C98 1.396(9) . ?
C97 C102 1.395(9) . ?
C98 C99 1.380(10) . ?
C98 H98 0.9300 . ?
C99 C100 1.394(10) . ?
C99 H99 0.9300 . ?
C100 C101 1.386(10) . ?
C100 H100 0.9300 . ?
C101 C102 1.388(9) . ?
C101 H101 0.9300 . ?
C102 H102 0.9300 . ?
C103 C104 1.401(9) . ?
C103 C108 1.401(9) . ?
C104 C105 1.394(9) . ?
C104 H104 0.9300 . ?
C105 C106 1.372(10) . ?
C105 H105 0.9300 . ?
C106 C107 1.401(9) . ?
C106 H106 0.9300 . ?
C107 C108 1.377(9) . ?
C107 H107 0.9300 . ?
C108 H108 0.9300 . ?
C109 H109 0.9800 . ?
C110 H110 0.9800 . ?
C111 C112 0.89(2) . ?
C111 Cl11 0.982(16) . ?
C111 Cl7 1.723(10) . ?
C111 Cl8 1.740(11) . ?
C111 Cl9 1.743(11) . ?
C111 Cl10 1.94(2) . ?
C111 H111 0.9800 . ?
Cl7 C112 1.54(3) . ?
Cl7 Cl11 2.094(15) . ?
Cl8 Cl11 1.604(15) . ?
Cl8 Cl12 1.827(10) . ?
Cl8 C112 1.88(2) . ?
Cl9 C112 1.68(3) . ?
C112 Cl12 1.737(14) . ?
C112 Cl10 1.739(14) . ?
C112 Cl11 1.742(14) . ?
C112 H112 0.9800 . ?

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
C37 Sb1 C19 95.1(2) . . ?
C37 Sb1 C1 95.7(2) . . ?
C19 Sb1 C1 93.5(2) . . ?
C91 Sb2 C55 95.8(2) . . ?
C91 Sb2 C73 93.4(2) . . ?
C55 Sb2 C73 95.5(2) . . ?
C13 P1 C7 102.6(3) . . ?
C13 P1 C6 100.2(3) . . ?
C7 P1 C6 101.8(3) . . ?
C25 P2 C31 102.9(3) . . ?
C25 P2 C24 103.9(3) . . ?
C31 P2 C24 101.4(3) . . ?
C43 P3 C49 103.4(3) . . ?
C43 P3 C42 103.1(3) . . ?
C49 P3 C42 101.1(3) . . ?
C61 P4 C60 102.8(3) . . ?
C61 P4 C67 103.0(3) . . ?
C60 P4 C67 99.8(3) . . ?
C85 P5 C79 102.3(3) . . ?
C85 P5 C78 102.4(3) . . ?
C79 P5 C78 102.9(3) . . ?
C97 P6 C103 102.7(3) . . ?
C97 P6 C96 103.4(3) . . ?
C103 P6 C96 100.7(3) . . ?
C2 C1 C6 119.1(6) . . ?
C2 C1 Sb1 121.5(5) . . ?
C6 C1 Sb1 119.5(4) . . ?
C1 C2 C3 122.0(7) . . ?
C1 C2 H2 119.0 . . ?
C3 C2 H2 119.0 . . ?
C4 C3 C2 118.8(7) . . ?
C4 C3 H3 120.6 . . ?
C2 C3 H3 120.6 . . ?
C5 C4 C3 120.1(6) . . ?
C5 C4 H4 119.9 . . ?
C3 C4 H4 119.9 . . ?
C4 C5 C6 121.8(7) . . ?
C4 C5 H5 119.1 . . ?
C6 C5 H5 119.1 . . ?
C5 C6 C1 118.2(6) . . ?
C5 C6 P1 124.4(5) . . ?
C1 C6 P1 117.4(4) . . ?
C8 C7 C12 118.8(6) . . ?
C8 C7 P1 118.8(5) . . ?
C12 C7 P1 122.3(5) . . ?
C9 C8 C7 121.2(7) . . ?
C9 C8 H8 119.4 . . ?
C7 C8 H8 119.4 . . ?
C8 C9 C10 120.1(7) . . ?
C8 C9 H9 120.0 . . ?
C10 C9 H9 120.0 . . ?
C11 C10 C9 119.3(7) . . ?
C11 C10 H10 120.3 . . ?
C9 C10 H10 120.3 . . ?
C10 C11 C12 121.2(7) . . ?
C10 C11 H11 119.4 . . ?
C12 C11 H11 119.4 . . ?
C11 C12 C7 119.3(6) . . ?
C11 C12 H12 120.3 . . ?
C7 C12 H12 120.3 . . ?
C14 C13 C18 119.0(6) . . ?
C14 C13 P1 123.3(5) . . ?
C18 C13 P1 117.7(5) . . ?
C13 C14 C15 121.2(6) . . ?
C13 C14 H14 119.4 . . ?
C15 C14 H14 119.4 . . ?
C14 C15 C16 119.4(6) . . ?
C14 C15 H15 120.3 . . ?
C16 C15 H15 120.3 . . ?
C17 C16 C15 120.4(6) . . ?
C17 C16 H16 119.8 . . ?
C15 C16 H16 119.8 . . ?
C16 C17 C18 119.8(6) . . ?
C16 C17 H17 120.1 . . ?
C18 C17 H17 120.1 . . ?
C17 C18 C13 120.1(6) . . ?
C17 C18 H18 119.9 . . ?
C13 C18 H18 119.9 . . ?
C20 C19 C24 119.1(6) . . ?
C20 C19 Sb1 120.8(5) . . ?
C24 C19 Sb1 120.0(4) . . ?
C19 C20 C21 121.4(6) . . ?
C19 C20 H20 119.3 . . ?
C21 C20 H20 119.3 . . ?
C22 C21 C20 120.2(6) . . ?
C22 C21 H21 119.9 . . ?
C20 C21 H21 119.9 . . ?
C21 C22 C23 119.2(6) . . ?
C21 C22 H22 120.4 . . ?
C23 C22 H22 120.4 . . ?
C22 C23 C24 121.0(6) . . ?
C22 C23 H23 119.5 . . ?
C24 C23 H23 119.5 . . ?
C23 C24 C19 119.1(6) . . ?
C23 C24 P2 123.5(5) . . ?
C19 C24 P2 117.3(5) . . ?
C30 C25 C26 118.1(6) . . ?
C30 C25 P2 121.6(5) . . ?
C26 C25 P2 120.0(5) . . ?
C25 C26 C27 122.1(6) . . ?
C25 C26 H26 119.0 . . ?
C27 C26 H26 119.0 . . ?
C28 C27 C26 119.3(6) . . ?
C28 C27 H27 120.4 . . ?
C26 C27 H27 120.4 . . ?
C27 C28 C29 119.6(6) . . ?
C27 C28 H28 120.2 . . ?
C29 C28 H28 120.2 . . ?
C28 C29 C30 120.4(6) . . ?
C28 C29 H29 119.8 . . ?
C30 C29 H29 119.8 . . ?
C25 C30 C29 120.6(6) . . ?
C25 C30 H30 119.7 . . ?
C29 C30 H30 119.7 . . ?
C36 C31 C32 118.6(6) . . ?
C36 C31 P2 117.2(5) . . ?
C32 C31 P2 124.1(5) . . ?
C33 C32 C31 120.8(6) . . ?
C33 C32 H32 119.6 . . ?
C31 C32 H32 119.6 . . ?
C32 C33 C34 119.9(6) . . ?
C32 C33 H33 120.1 . . ?
C34 C33 H33 120.1 . . ?
C33 C34 C35 119.8(6) . . ?
C33 C34 H34 120.1 . . ?
C35 C34 H34 120.1 . . ?
C36 C35 C34 120.1(6) . . ?
C36 C35 H35 119.9 . . ?
C34 C35 H35 119.9 . . ?
C31 C36 C35 120.7(6) . . ?
C31 C36 H36 119.6 . . ?
C35 C36 H36 119.6 . . ?
C42 C37 C38 119.3(6) . . ?
C42 C37 Sb1 119.3(5) . . ?
C38 C37 Sb1 121.4(5) . . ?
C39 C38 C37 120.8(6) . . ?
C39 C38 H38 119.6 . . ?
C37 C38 H38 119.6 . . ?
C40 C39 C38 119.0(7) . . ?
C40 C39 H39 120.5 . . ?
C38 C39 H39 120.5 . . ?
C41 C40 C39 121.4(6) . . ?
C41 C40 H40 119.3 . . ?
C39 C40 H40 119.3 . . ?
C40 C41 C42 120.7(6) . . ?
C40 C41 H41 119.7 . . ?
C42 C41 H41 119.7 . . ?
C37 C42 C41 118.9(7) . . ?
C37 C42 P3 118.2(5) . . ?
C41 C42 P3 122.9(5) . . ?
C44 C43 C48 117.5(6) . . ?
C44 C43 P3 117.4(5) . . ?
C48 C43 P3 124.6(5) . . ?
C45 C44 C43 121.1(6) . . ?
C45 C44 H44 119.4 . . ?
C43 C44 H44 119.4 . . ?
C44 C45 C46 120.7(7) . . ?
C44 C45 H45 119.6 . . ?
C46 C45 H45 119.6 . . ?
C45 C46 C47 118.7(6) . . ?
C45 C46 H46 120.6 . . ?
C47 C46 H46 120.6 . . ?
C48 C47 C46 120.4(6) . . ?
C48 C47 H47 119.8 . . ?
C46 C47 H47 119.8 . . ?
C47 C48 C43 121.4(6) . . ?
C47 C48 H48 119.3 . . ?
C43 C48 H48 119.3 . . ?
C54 C49 C50 119.0(6) . . ?
C54 C49 P3 117.5(5) . . ?
C50 C49 P3 123.4(5) . . ?
C51 C50 C49 120.9(6) . . ?
C51 C50 H50 119.6 . . ?
C49 C50 H50 119.6 . . ?
C50 C51 C52 119.8(7) . . ?
C50 C51 H51 120.1 . . ?
C52 C51 H51 120.1 . . ?
C53 C52 C51 119.8(6) . . ?
C53 C52 H52 120.1 . . ?
C51 C52 H52 120.1 . . ?
C52 C53 C54 119.8(6) . . ?
C52 C53 H53 120.1 . . ?
C54 C53 H53 120.1 . . ?
C53 C54 C49 120.7(6) . . ?
C53 C54 H54 119.6 . . ?
C49 C54 H54 119.6 . . ?
C56 C55 C60 118.8(5) . . ?
C56 C55 Sb2 121.5(5) . . ?
C60 C55 Sb2 119.7(4) . . ?
C57 C56 C55 120.3(6) . . ?
C57 C56 H56 119.8 . . ?
C55 C56 H56 119.8 . . ?
C58 C57 C56 121.5(6) . . ?
C58 C57 H57 119.3 . . ?
C56 C57 H57 119.3 . . ?
C57 C58 C59 119.3(6) . . ?
C57 C58 H58 120.4 . . ?
C59 C58 H58 120.4 . . ?
C58 C59 C60 120.9(6) . . ?
C58 C59 H59 119.5 . . ?
C60 C59 H59 119.5 . . ?
C59 C60 C55 119.2(6) . . ?
C59 C60 P4 123.1(5) . . ?
C55 C60 P4 117.6(4) . . ?
C66 C61 C62 118.5(6) . . ?
C66 C61 P4 124.1(5) . . ?
C62 C61 P4 117.2(5) . . ?
C63 C62 C61 120.9(6) . . ?
C63 C62 H62 119.6 . . ?
C61 C62 H62 119.6 . . ?
C62 C63 C64 120.6(6) . . ?
C62 C63 H63 119.7 . . ?
C64 C63 H63 119.7 . . ?
C63 C64 C65 118.7(6) . . ?
C63 C64 H64 120.6 . . ?
C65 C64 H64 120.6 . . ?
C66 C65 C64 120.8(6) . . ?
C66 C65 H65 119.6 . . ?
C64 C65 H65 119.6 . . ?
C61 C66 C65 120.4(6) . . ?
C61 C66 H66 119.8 . . ?
C65 C66 H66 119.8 . . ?
C72 C67 C68 119.2(6) . . ?
C72 C67 P4 117.1(5) . . ?
C68 C67 P4 123.7(5) . . ?
C69 C68 C67 120.8(6) . . ?
C69 C68 H68 119.6 . . ?
C67 C68 H68 119.6 . . ?
C68 C69 C70 119.6(6) . . ?
C68 C69 H69 120.2 . . ?
C70 C69 H69 120.2 . . ?
C69 C70 C71 120.4(6) . . ?
C69 C70 H70 119.8 . . ?
C71 C70 H70 119.8 . . ?
C72 C71 C70 119.9(6) . . ?
C72 C71 H71 120.0 . . ?
C70 C71 H71 120.0 . . ?
C71 C72 C67 120.1(6) . . ?
C71 C72 H72 120.0 . . ?
C67 C72 H72 120.0 . . ?
C74 C73 C78 119.3(6) . . ?
C74 C73 Sb2 121.3(5) . . ?
C78 C73 Sb2 119.4(5) . . ?
C75 C74 C73 121.4(6) . . ?
C75 C74 H74 119.3 . . ?
C73 C74 H74 119.3 . . ?
C76 C75 C74 120.1(7) . . ?
C76 C75 H75 120.0 . . ?
C74 C75 H75 120.0 . . ?
C77 C76 C75 119.3(6) . . ?
C77 C76 H76 120.3 . . ?
C75 C76 H76 120.3 . . ?
C76 C77 C78 121.8(6) . . ?
C76 C77 H77 119.1 . . ?
C78 C77 H77 119.1 . . ?
C73 C78 C77 118.2(6) . . ?
C73 C78 P5 117.6(5) . . ?
C77 C78 P5 124.1(5) . . ?
C84 C79 C80 118.5(6) . . ?
C84 C79 P5 122.1(5) . . ?
C80 C79 P5 119.0(5) . . ?
C81 C80 C79 120.7(6) . . ?
C81 C80 H80 119.7 . . ?
C79 C80 H80 119.7 . . ?
C80 C81 C82 120.1(7) . . ?
C80 C81 H81 120.0 . . ?
C82 C81 H81 120.0 . . ?
C83 C82 C81 120.1(7) . . ?
C83 C82 H82 120.0 . . ?
C81 C82 H82 120.0 . . ?
C82 C83 C84 119.8(7) . . ?
C82 C83 H83 120.1 . . ?
C84 C83 H83 120.1 . . ?
C83 C84 C79 120.8(6) . . ?
C83 C84 H84 119.6 . . ?
C79 C84 H84 119.6 . . ?
C90 C85 C86 119.6(6) . . ?
C90 C85 P5 117.4(5) . . ?
C86 C85 P5 123.0(5) . . ?
C87 C86 C85 120.3(6) . . ?
C87 C86 H86 119.9 . . ?
C85 C86 H86 119.9 . . ?
C86 C87 C88 120.2(7) . . ?
C86 C87 H87 119.9 . . ?
C88 C87 H87 119.9 . . ?
C89 C88 C87 120.3(6) . . ?
C89 C88 H88 119.9 . . ?
C87 C88 H88 119.9 . . ?
C88 C89 C90 119.6(6) . . ?
C88 C89 H89 120.2 . . ?
C90 C89 H89 120.2 . . ?
C85 C90 C89 120.1(6) . . ?
C85 C90 H90 120.0 . . ?
C89 C90 H90 120.0 . . ?
C96 C91 C92 118.8(6) . . ?
C96 C91 Sb2 120.0(5) . . ?
C92 C91 Sb2 121.2(4) . . ?
C93 C92 C91 121.4(6) . . ?
C93 C92 H92 119.3 . . ?
C91 C92 H92 119.3 . . ?
C92 C93 C94 119.7(6) . . ?
C92 C93 H93 120.1 . . ?
C94 C93 H93 120.1 . . ?
C93 C94 C95 120.2(6) . . ?
C93 C94 H94 119.9 . . ?
C95 C94 H94 119.9 . . ?
C94 C95 C96 121.3(6) . . ?
C94 C95 H95 119.4 . . ?
C96 C95 H95 119.4 . . ?
C95 C96 C91 118.7(6) . . ?
C95 C96 P6 123.6(5) . . ?
C91 C96 P6 117.7(5) . . ?
C98 C97 C102 117.8(6) . . ?
C98 C97 P6 118.7(5) . . ?
C102 C97 P6 123.2(5) . . ?
C99 C98 C97 121.3(6) . . ?
C99 C98 H98 119.4 . . ?
C97 C98 H98 119.4 . . ?
C98 C99 C100 120.0(6) . . ?
C98 C99 H99 120.0 . . ?
C100 C99 H99 120.0 . . ?
C101 C100 C99 119.7(6) . . ?
C101 C100 H100 120.1 . . ?
C99 C100 H100 120.1 . . ?
C100 C101 C102 119.7(6) . . ?
C100 C101 H101 120.2 . . ?
C102 C101 H101 120.2 . . ?
C101 C102 C97 121.4(6) . . ?
C101 C102 H102 119.3 . . ?
C97 C102 H102 119.3 . . ?
C104 C103 C108 118.9(6) . . ?
C104 C103 P6 118.3(5) . . ?
C108 C103 P6 122.8(5) . . ?
C105 C104 C103 120.0(6) . . ?
C105 C104 H104 120.0 . . ?
C103 C104 H104 120.0 . . ?
C106 C105 C104 120.4(6) . . ?
C106 C105 H105 119.8 . . ?
C104 C105 H105 119.8 . . ?
C105 C106 C107 120.2(6) . . ?
C105 C106 H106 119.9 . . ?
C107 C106 H106 119.9 . . ?
C108 C107 C106 119.8(6) . . ?
C108 C107 H107 120.1 . . ?
C106 C107 H107 120.1 . . ?
C107 C108 C103 120.8(6) . . ?
C107 C108 H108 119.6 . . ?
C103 C108 H108 119.6 . . ?
Cl2 C109 Cl3 109.8(4) . . ?
Cl2 C109 Cl1 109.7(4) . . ?
Cl3 C109 Cl1 109.4(4) . . ?
Cl2 C109 H109 109.3 . . ?
Cl3 C109 H109 109.3 . . ?
Cl1 C109 H109 109.3 . . ?
Cl4 C110 Cl6 110.5(4) . . ?
Cl4 C110 Cl5 110.8(4) . . ?
Cl6 C110 Cl5 110.9(4) . . ?
Cl4 C110 H110 108.2 . . ?
Cl6 C110 H110 108.2 . . ?
Cl5 C110 H110 108.2 . . ?
C112 C111 Cl11 136(2) . . ?
C112 C111 Cl7 63(2) . . ?
Cl11 C111 Cl7 97.7(11) . . ?
C112 C111 Cl8 84.7(17) . . ?
Cl11 C111 Cl8 65.5(11) . . ?
Cl7 C111 Cl8 111.6(6) . . ?
C112 C111 Cl9 71.3(18) . . ?
Cl11 C111 Cl9 147.9(13) . . ?
Cl7 C111 Cl9 111.9(7) . . ?
Cl8 C111 Cl9 111.6(7) . . ?
C112 C111 Cl10 63.9(15) . . ?
Cl11 C111 Cl10 156.6(16) . . ?
Cl7 C111 Cl10 103.7(14) . . ?
Cl8 C111 Cl10 113.8(12) . . ?
Cl9 C111 Cl10 8.7(14) . . ?
C112 C111 H111 167.4 . . ?
Cl11 C111 H111 49.9 . . ?
Cl7 C111 H111 107.1 . . ?
Cl8 C111 H111 107.1 . . ?
Cl9 C111 H111 107.1 . . ?
Cl10 C111 H111 113.3 . . ?
C112 Cl7 C111 31.1(8) . . ?
C112 Cl7 Cl11 54.7(7) . . ?
C111 Cl7 Cl11 27.7(5) . . ?
Cl11 Cl8 C111 33.8(6) . . ?
Cl11 Cl8 Cl12 113.3(6) . . ?
C111 Cl8 Cl12 84.0(6) . . ?
Cl11 Cl8 C112 59.3(5) . . ?
C111 Cl8 C112 28.2(6) . . ?
Cl12 Cl8 C112 55.8(4) . . ?
C112 Cl9 C111 30.2(6) . . ?
C111 C112 Cl7 85.5(19) . . ?
C111 C112 Cl9 78.6(19) . . ?
Cl7 C112 Cl9 125.6(12) . . ?
C111 C112 Cl12 127(2) . . ?
Cl7 C112 Cl12 117.5(16) . . ?
Cl9 C112 Cl12 113.3(16) . . ?
C111 C112 Cl10 89(2) . . ?
Cl7 C112 Cl10 122.6(18) . . ?
Cl9 C112 Cl10 11.2(14) . . ?
Cl12 C112 Cl10 111.0(14) . . ?
C111 C112 Cl11 22.9(11) . . ?
Cl7 C112 Cl11 78.9(10) . . ?
Cl9 C112 Cl11 100.2(14) . . ?
Cl12 C112 Cl11 111.1(12) . . ?
Cl10 C112 Cl11 110.7(14) . . ?
C111 C112 Cl8 67.1(16) . . ?
Cl7 C112 Cl8 113.1(11) . . ?
Cl9 C112 Cl8 107.6(19) . . ?
Cl12 C112 Cl8 60.5(8) . . ?
Cl10 C112 Cl8 117(2) . . ?
Cl11 C112 Cl8 52.4(8) . . ?
C111 C112 H112 111.2 . . ?
Cl7 C112 H112 29.2 . . ?
Cl9 C112 H112 116.0 . . ?
Cl12 C112 H112 108.0 . . ?
Cl10 C112 H112 108.0 . . ?
Cl11 C112 H112 108.0 . . ?
Cl8 C112 H112 135.2 . . ?
C112 Cl10 C111 27.5(7) . . ?
C111 Cl11 Cl8 80.7(11) . . ?
C111 Cl11 C112 20.7(11) . . ?
Cl8 Cl11 C112 68.3(9) . . ?
C111 Cl11 Cl7 54.6(9) . . ?
Cl8 Cl11 Cl7 100.7(6) . . ?
C112 Cl11 Cl7 46.4(12) . . ?
C112 Cl12 Cl8 63.7(9) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6 C1 C2 C3 0.1(9) . . . . ?
Sb1 C1 C2 C3 179.8(5) . . . . ?
C1 C2 C3 C4 0.2(10) . . . . ?
C2 C3 C4 C5 0.5(10) . . . . ?
C3 C4 C5 C6 -1.7(10) . . . . ?
C4 C5 C6 C1 1.9(9) . . . . ?
C4 C5 C6 P1 -177.6(5) . . . . ?
C2 C1 C6 C5 -1.1(8) . . . . ?
Sb1 C1 C6 C5 179.1(4) . . . . ?
C2 C1 C6 P1 178.4(5) . . . . ?
Sb1 C1 C6 P1 -1.3(6) . . . . ?
C13 P1 C6 C5 -105.6(5) . . . . ?
C7 P1 C6 C5 -0.3(6) . . . . ?
C13 P1 C6 C1 74.8(5) . . . . ?
C7 P1 C6 C1 -179.9(5) . . . . ?
C13 P1 C7 C8 167.5(6) . . . . ?
C6 P1 C7 C8 64.1(7) . . . . ?
C13 P1 C7 C12 -16.2(7) . . . . ?
C6 P1 C7 C12 -119.6(6) . . . . ?
C12 C7 C8 C9 1.9(12) . . . . ?
P1 C7 C8 C9 178.4(7) . . . . ?
C7 C8 C9 C10 -1.8(13) . . . . ?
C8 C9 C10 C11 0.9(13) . . . . ?
C9 C10 C11 C12 -0.1(12) . . . . ?
C10 C11 C12 C7 0.2(11) . . . . ?
C8 C7 C12 C11 -1.1(11) . . . . ?
P1 C7 C12 C11 -177.4(5) . . . . ?
C7 P1 C13 C14 -68.6(6) . . . . ?
C6 P1 C13 C14 36.0(6) . . . . ?
C7 P1 C13 C18 114.0(5) . . . . ?
C6 P1 C13 C18 -141.4(5) . . . . ?
C18 C13 C14 C15 -0.1(10) . . . . ?
P1 C13 C14 C15 -177.5(5) . . . . ?
C13 C14 C15 C16 0.8(10) . . . . ?
C14 C15 C16 C17 -1.3(10) . . . . ?
C15 C16 C17 C18 1.3(11) . . . . ?
C16 C17 C18 C13 -0.6(10) . . . . ?
C14 C13 C18 C17 0.1(10) . . . . ?
P1 C13 C18 C17 177.6(5) . . . . ?
C24 C19 C20 C21 0.8(10) . . . . ?
Sb1 C19 C20 C21 -175.0(5) . . . . ?
C19 C20 C21 C22 1.0(10) . . . . ?
C20 C21 C22 C23 -1.3(10) . . . . ?
C21 C22 C23 C24 -0.1(10) . . . . ?
C22 C23 C24 C19 1.9(9) . . . . ?
C22 C23 C24 P2 -175.4(5) . . . . ?
C20 C19 C24 C23 -2.2(9) . . . . ?
Sb1 C19 C24 C23 173.7(5) . . . . ?
C20 C19 C24 P2 175.2(5) . . . . ?
Sb1 C19 C24 P2 -8.9(7) . . . . ?
C25 P2 C24 C23 4.9(6) . . . . ?
C31 P2 C24 C23 -101.7(6) . . . . ?
C25 P2 C24 C19 -172.5(5) . . . . ?
C31 P2 C24 C19 81.0(5) . . . . ?
C31 P2 C25 C30 -25.1(6) . . . . ?
C24 P2 C25 C30 -130.5(6) . . . . ?
C31 P2 C25 C26 162.2(6) . . . . ?
C24 P2 C25 C26 56.8(6) . . . . ?
C30 C25 C26 C27 2.0(11) . . . . ?
P2 C25 C26 C27 174.9(6) . . . . ?
C25 C26 C27 C28 -2.5(11) . . . . ?
C26 C27 C28 C29 0.9(11) . . . . ?
C27 C28 C29 C30 1.0(11) . . . . ?
C26 C25 C30 C29 0.0(10) . . . . ?
P2 C25 C30 C29 -172.8(5) . . . . ?
C28 C29 C30 C25 -1.5(11) . . . . ?
C25 P2 C31 C36 105.2(5) . . . . ?
C24 P2 C31 C36 -147.5(5) . . . . ?
C25 P2 C31 C32 -77.0(6) . . . . ?
C24 P2 C31 C32 30.3(6) . . . . ?
C36 C31 C32 C33 0.6(9) . . . . ?
P2 C31 C32 C33 -177.2(5) . . . . ?
C31 C32 C33 C34 -0.6(10) . . . . ?
C32 C33 C34 C35 0.1(10) . . . . ?
C33 C34 C35 C36 0.5(10) . . . . ?
C32 C31 C36 C35 -0.1(10) . . . . ?
P2 C31 C36 C35 177.9(5) . . . . ?
C34 C35 C36 C31 -0.5(10) . . . . ?
C42 C37 C38 C39 0.3(10) . . . . ?
Sb1 C37 C38 C39 -178.0(5) . . . . ?
C37 C38 C39 C40 0.6(10) . . . . ?
C38 C39 C40 C41 -0.7(11) . . . . ?
C39 C40 C41 C42 -0.2(11) . . . . ?
C38 C37 C42 C41 -1.1(9) . . . . ?
Sb1 C37 C42 C41 177.2(5) . . . . ?
C38 C37 C42 P3 176.2(5) . . . . ?
Sb1 C37 C42 P3 -5.4(7) . . . . ?
C40 C41 C42 C37 1.1(10) . . . . ?
C40 C41 C42 P3 -176.2(5) . . . . ?
C43 P3 C42 C37 -176.1(5) . . . . ?
C49 P3 C42 C37 77.2(5) . . . . ?
C43 P3 C42 C41 1.2(6) . . . . ?
C49 P3 C42 C41 -105.6(6) . . . . ?
C49 P3 C43 C44 177.4(6) . . . . ?
C42 P3 C43 C44 72.4(6) . . . . ?
C49 P3 C43 C48 -10.5(7) . . . . ?
C42 P3 C43 C48 -115.5(6) . . . . ?
C48 C43 C44 C45 3.4(11) . . . . ?
P3 C43 C44 C45 176.1(6) . . . . ?
C43 C44 C45 C46 -2.2(12) . . . . ?
C44 C45 C46 C47 -0.2(11) . . . . ?
C45 C46 C47 C48 1.2(11) . . . . ?
C46 C47 C48 C43 0.1(11) . . . . ?
C44 C43 C48 C47 -2.4(10) . . . . ?
P3 C43 C48 C47 -174.5(6) . . . . ?
C43 P3 C49 C54 112.2(5) . . . . ?
C42 P3 C49 C54 -141.3(5) . . . . ?
C43 P3 C49 C50 -69.4(6) . . . . ?
C42 P3 C49 C50 37.1(6) . . . . ?
C54 C49 C50 C51 0.3(10) . . . . ?
P3 C49 C50 C51 -178.0(5) . . . . ?
C49 C50 C51 C52 0.3(10) . . . . ?
C50 C51 C52 C53 -0.6(10) . . . . ?
C51 C52 C53 C54 0.1(10) . . . . ?
C52 C53 C54 C49 0.5(10) . . . . ?
C50 C49 C54 C53 -0.8(10) . . . . ?
P3 C49 C54 C53 177.7(5) . . . . ?
C60 C55 C56 C57 0.2(9) . . . . ?
Sb2 C55 C56 C57 179.5(5) . . . . ?
C55 C56 C57 C58 -0.2(10) . . . . ?
C56 C57 C58 C59 -0.5(10) . . . . ?
C57 C58 C59 C60 1.3(10) . . . . ?
C58 C59 C60 C55 -1.4(10) . . . . ?
C58 C59 C60 P4 175.9(5) . . . . ?
C56 C55 C60 C59 0.6(9) . . . . ?
Sb2 C55 C60 C59 -178.7(5) . . . . ?
C56 C55 C60 P4 -176.8(5) . . . . ?
Sb2 C55 C60 P4 3.9(6) . . . . ?
C61 P4 C60 C59 2.5(6) . . . . ?
C67 P4 C60 C59 108.3(6) . . . . ?
C61 P4 C60 C55 179.8(5) . . . . ?
C67 P4 C60 C55 -74.4(5) . . . . ?
C60 P4 C61 C66 112.6(6) . . . . ?
C67 P4 C61 C66 9.2(6) . . . . ?
C60 P4 C61 C62 -71.9(6) . . . . ?
C67 P4 C61 C62 -175.3(5) . . . . ?
C66 C61 C62 C63 0.3(10) . . . . ?
P4 C61 C62 C63 -175.4(6) . . . . ?
C61 C62 C63 C64 0.2(11) . . . . ?
C62 C63 C64 C65 -0.3(11) . . . . ?
C63 C64 C65 C66 -0.1(10) . . . . ?
C62 C61 C66 C65 -0.7(10) . . . . ?
P4 C61 C66 C65 174.8(5) . . . . ?
C64 C65 C66 C61 0.6(10) . . . . ?
C61 P4 C67 C72 -111.9(5) . . . . ?
C60 P4 C67 C72 142.4(5) . . . . ?
C61 P4 C67 C68 69.1(6) . . . . ?
C60 P4 C67 C68 -36.6(6) . . . . ?
C72 C67 C68 C69 -1.0(9) . . . . ?
P4 C67 C68 C69 178.0(5) . . . . ?
C67 C68 C69 C70 -0.4(10) . . . . ?
C68 C69 C70 C71 1.8(10) . . . . ?
C69 C70 C71 C72 -1.9(10) . . . . ?
C70 C71 C72 C67 0.5(10) . . . . ?
C68 C67 C72 C71 0.9(9) . . . . ?
P4 C67 C72 C71 -178.1(5) . . . . ?
C78 C73 C74 C75 -1.5(9) . . . . ?
Sb2 C73 C74 C75 176.3(5) . . . . ?
C73 C74 C75 C76 -0.3(10) . . . . ?
C74 C75 C76 C77 0.8(10) . . . . ?
C75 C76 C77 C78 0.5(10) . . . . ?
C74 C73 C78 C77 2.7(9) . . . . ?
Sb2 C73 C78 C77 -175.1(4) . . . . ?
C74 C73 C78 P5 -173.6(5) . . . . ?
Sb2 C73 C78 P5 8.6(6) . . . . ?
C76 C77 C78 C73 -2.2(9) . . . . ?
C76 C77 C78 P5 173.8(5) . . . . ?
C85 P5 C78 C73 -80.8(5) . . . . ?
C79 P5 C78 C73 173.3(5) . . . . ?
C85 P5 C78 C77 103.2(5) . . . . ?
C79 P5 C78 C77 -2.7(6) . . . . ?
C85 P5 C79 C84 23.4(6) . . . . ?
C78 P5 C79 C84 129.4(6) . . . . ?
C85 P5 C79 C80 -164.4(6) . . . . ?
C78 P5 C79 C80 -58.5(6) . . . . ?
C84 C79 C80 C81 -2.8(11) . . . . ?
P5 C79 C80 C81 -175.2(6) . . . . ?
C79 C80 C81 C82 2.4(11) . . . . ?
C80 C81 C82 C83 0.5(12) . . . . ?
C81 C82 C83 C84 -2.9(12) . . . . ?
C82 C83 C84 C79 2.4(11) . . . . ?
C80 C79 C84 C83 0.4(10) . . . . ?
P5 C79 C84 C83 172.6(5) . . . . ?
C79 P5 C85 C90 -109.4(5) . . . . ?
C78 P5 C85 C90 144.3(5) . . . . ?
C79 P5 C85 C86 72.4(6) . . . . ?
C78 P5 C85 C86 -33.9(6) . . . . ?
C90 C85 C86 C87 -0.1(10) . . . . ?
P5 C85 C86 C87 178.1(5) . . . . ?
C85 C86 C87 C88 -1.0(10) . . . . ?
C86 C87 C88 C89 1.9(10) . . . . ?
C87 C88 C89 C90 -1.7(10) . . . . ?
C86 C85 C90 C89 0.3(10) . . . . ?
P5 C85 C90 C89 -178.0(5) . . . . ?
C88 C89 C90 C85 0.7(10) . . . . ?
C96 C91 C92 C93 1.7(10) . . . . ?
Sb2 C91 C92 C93 179.9(5) . . . . ?
C91 C92 C93 C94 -1.9(10) . . . . ?
C92 C93 C94 C95 0.7(10) . . . . ?
C93 C94 C95 C96 0.7(10) . . . . ?
C94 C95 C96 C91 -0.8(10) . . . . ?
C94 C95 C96 P6 178.2(5) . . . . ?
C92 C91 C96 C95 -0.4(9) . . . . ?
Sb2 C91 C96 C95 -178.6(4) . . . . ?
C92 C91 C96 P6 -179.5(5) . . . . ?
Sb2 C91 C96 P6 2.3(7) . . . . ?
C97 P6 C96 C95 -1.2(6) . . . . ?
C103 P6 C96 C95 104.7(5) . . . . ?
C97 P6 C96 C91 177.8(5) . . . . ?
C103 P6 C96 C91 -76.3(5) . . . . ?
C103 P6 C97 C98 -168.0(5) . . . . ?
C96 P6 C97 C98 -63.6(6) . . . . ?
C103 P6 C97 C102 18.4(6) . . . . ?
C96 P6 C97 C102 122.8(6) . . . . ?
C102 C97 C98 C99 -4.5(10) . . . . ?
P6 C97 C98 C99 -178.4(6) . . . . ?
C97 C98 C99 C100 2.6(11) . . . . ?
C98 C99 C100 C101 0.6(11) . . . . ?
C99 C100 C101 C102 -1.7(10) . . . . ?
C100 C101 C102 C97 -0.3(10) . . . . ?
C98 C97 C102 C101 3.3(10) . . . . ?
P6 C97 C102 C101 177.0(5) . . . . ?
C97 P6 C103 C104 -108.3(5) . . . . ?
C96 P6 C103 C104 145.2(5) . . . . ?
C97 P6 C103 C108 74.6(6) . . . . ?
C96 P6 C103 C108 -31.9(6) . . . . ?
C108 C103 C104 C105 -0.5(9) . . . . ?
P6 C103 C104 C105 -177.8(5) . . . . ?
C103 C104 C105 C106 0.7(10) . . . . ?
C104 C105 C106 C107 -0.4(10) . . . . ?
C105 C106 C107 C108 0.1(10) . . . . ?
C106 C107 C108 C103 0.1(10) . . . . ?
C104 C103 C108 C107 0.2(9) . . . . ?
P6 C103 C108 C107 177.3(5) . . . . ?
Cl11 C111 Cl7 C112 139(2) . . . . ?
Cl8 C111 Cl7 C112 72.0(15) . . . . ?
Cl9 C111 Cl7 C112 -53.9(13) . . . . ?
Cl10 C111 Cl7 C112 -51.0(15) . . . . ?
C112 C111 Cl7 Cl11 -139(2) . . . . ?
Cl8 C111 Cl7 Cl11 -66.6(11) . . . . ?
Cl9 C111 Cl7 Cl11 167.5(18) . . . . ?
Cl10 C111 Cl7 Cl11 170.5(18) . . . . ?
C112 C111 Cl8 Cl11 147(2) . . . . ?
Cl7 C111 Cl8 Cl11 88.7(11) . . . . ?
Cl9 C111 Cl8 Cl11 -145.2(15) . . . . ?
Cl10 C111 Cl8 Cl11 -154.3(17) . . . . ?
C112 C111 Cl8 Cl12 -3(2) . . . . ?
Cl11 C111 Cl8 Cl12 -150.5(11) . . . . ?
Cl7 C111 Cl8 Cl12 -61.8(7) . . . . ?
Cl9 C111 Cl8 Cl12 64.3(8) . . . . ?
Cl10 C111 Cl8 Cl12 55.2(13) . . . . ?
Cl11 C111 Cl8 C112 -147(2) . . . . ?
Cl7 C111 Cl8 C112 -59(2) . . . . ?
Cl9 C111 Cl8 C112 67(2) . . . . ?
Cl10 C111 Cl8 C112 58(2) . . . . ?
Cl11 C111 Cl9 C112 -154(4) . . . . ?
Cl7 C111 Cl9 C112 50(2) . . . . ?
Cl8 C111 Cl9 C112 -76(2) . . . . ?
Cl10 C111 Cl9 C112 31(7) . . . . ?
Cl11 C111 C112 Cl7 -72(3) . . . . ?
Cl8 C111 C112 Cl7 -117.4(7) . . . . ?
Cl9 C111 C112 Cl7 127.7(10) . . . . ?
Cl10 C111 C112 Cl7 122.8(18) . . . . ?
Cl11 C111 C112 Cl9 160(3) . . . . ?
Cl7 C111 C112 Cl9 -127.7(10) . . . . ?
Cl8 C111 C112 Cl9 114.9(9) . . . . ?
Cl10 C111 C112 Cl9 -4.9(16) . . . . ?
Cl11 C111 C112 Cl12 50(5) . . . . ?
Cl7 C111 C112 Cl12 122(3) . . . . ?
Cl8 C111 C112 Cl12 4(3) . . . . ?
Cl9 C111 C112 Cl12 -111(3) . . . . ?
Cl10 C111 C112 Cl12 -116(3) . . . . ?
Cl11 C111 C112 Cl10 165(3) . . . . ?
Cl7 C111 C112 Cl10 -122.8(18) . . . . ?
Cl8 C111 C112 Cl10 119.8(16) . . . . ?
Cl9 C111 C112 Cl10 4.9(16) . . . . ?
Cl7 C111 C112 Cl11 72(3) . . . . ?
Cl8 C111 C112 Cl11 -45(3) . . . . ?
Cl9 C111 C112 Cl11 -160(3) . . . . ?
Cl10 C111 C112 Cl11 -165(3) . . . . ?
Cl11 C111 C112 Cl8 45(3) . . . . ?
Cl7 C111 C112 Cl8 117.4(7) . . . . ?
Cl9 C111 C112 Cl8 -114.9(9) . . . . ?
Cl10 C111 C112 Cl8 -119.8(16) . . . . ?
Cl11 Cl7 C112 C111 22.1(12) . . . . ?
C111 Cl7 C112 Cl9 72.5(16) . . . . ?
Cl11 Cl7 C112 Cl9 94.6(16) . . . . ?
C111 Cl7 C112 Cl12 -130(2) . . . . ?
Cl11 Cl7 C112 Cl12 -108.1(13) . . . . ?
C111 Cl7 C112 Cl10 85.5(17) . . . . ?
Cl11 Cl7 C112 Cl10 107.6(15) . . . . ?
C111 Cl7 C112 Cl11 -22.1(12) . . . . ?
C111 Cl7 C112 Cl8 -62.7(13) . . . . ?
Cl11 Cl7 C112 Cl8 -40.6(8) . . . . ?
C111 Cl9 C112 Cl7 -75.9(14) . . . . ?
C111 Cl9 C112 Cl12 126(3) . . . . ?
C111 Cl9 C112 Cl10 -154(7) . . . . ?
C111 Cl9 C112 Cl11 7.6(11) . . . . ?
C111 Cl9 C112 Cl8 61.2(17) . . . . ?
Cl11 Cl8 C112 C111 -20.4(16) . . . . ?
Cl12 Cl8 C112 C111 176(2) . . . . ?
Cl11 Cl8 C112 Cl7 53.7(8) . . . . ?
C111 Cl8 C112 Cl7 74.2(15) . . . . ?
Cl12 Cl8 C112 Cl7 -109.6(15) . . . . ?
Cl11 Cl8 C112 Cl9 -89.3(10) . . . . ?
C111 Cl8 C112 Cl9 -68.9(17) . . . . ?
Cl12 Cl8 C112 Cl9 107.3(12) . . . . ?
Cl11 Cl8 C112 Cl12 163.3(13) . . . . ?
C111 Cl8 C112 Cl12 -176(2) . . . . ?
Cl11 Cl8 C112 Cl10 -96.5(11) . . . . ?
C111 Cl8 C112 Cl10 -76(2) . . . . ?
Cl12 Cl8 C112 Cl10 100.1(12) . . . . ?
C111 Cl8 C112 Cl11 20.4(16) . . . . ?
Cl12 Cl8 C112 Cl11 -163.3(13) . . . . ?
Cl7 C112 Cl10 C111 -83.8(16) . . . . ?
Cl9 C112 Cl10 C111 25(7) . . . . ?
Cl12 C112 Cl10 C111 130(3) . . . . ?
Cl11 C112 Cl10 C111 6.1(12) . . . . ?
Cl8 C112 Cl10 C111 63(2) . . . . ?
C112 C111 Cl11 Cl8 -51(4) . . . . ?
Cl7 C111 Cl11 Cl8 -110.3(7) . . . . ?
Cl9 C111 Cl11 Cl8 92(2) . . . . ?
Cl10 C111 Cl11 Cl8 94(4) . . . . ?
Cl7 C111 Cl11 C112 -59(3) . . . . ?
Cl8 C111 Cl11 C112 51(4) . . . . ?
Cl9 C111 Cl11 C112 143(5) . . . . ?
Cl10 C111 Cl11 C112 145(6) . . . . ?
C112 C111 Cl11 Cl7 59(3) . . . . ?
Cl8 C111 Cl11 Cl7 110.3(7) . . . . ?
Cl9 C111 Cl11 Cl7 -158(3) . . . . ?
Cl10 C111 Cl11 Cl7 -156(5) . . . . ?
Cl12 Cl8 Cl11 C111 32.2(12) . . . . ?
C112 Cl8 Cl11 C111 17.3(14) . . . . ?
C111 Cl8 Cl11 C112 -17.3(14) . . . . ?
Cl12 Cl8 Cl11 C112 15.0(12) . . . . ?
C111 Cl8 Cl11 Cl7 -51.1(8) . . . . ?
Cl12 Cl8 Cl11 Cl7 -18.9(8) . . . . ?
C112 Cl8 Cl11 Cl7 -33.8(11) . . . . ?
Cl7 C112 Cl11 C111 105(4) . . . . ?
Cl9 C112 Cl11 C111 -20(3) . . . . ?
Cl12 C112 Cl11 C111 -140(5) . . . . ?
Cl10 C112 Cl11 C111 -16(3) . . . . ?
Cl8 C112 Cl11 C111 -124(4) . . . . ?
C111 C112 Cl11 Cl8 124(4) . . . . ?
Cl7 C112 Cl11 Cl8 -130.9(10) . . . . ?
Cl9 C112 Cl11 Cl8 104.5(16) . . . . ?
Cl12 C112 Cl11 Cl8 -15.5(13) . . . . ?
Cl10 C112 Cl11 Cl8 108(2) . . . . ?
C111 C112 Cl11 Cl7 -105(4) . . . . ?
Cl9 C112 Cl11 Cl7 -124.6(13) . . . . ?
Cl12 C112 Cl11 Cl7 115.4(19) . . . . ?
Cl10 C112 Cl11 Cl7 -121(2) . . . . ?
Cl8 C112 Cl11 Cl7 130.9(10) . . . . ?
C111 C112 Cl12 Cl8 -4(3) . . . . ?
Cl7 C112 Cl12 Cl8 102.3(11) . . . . ?
Cl9 C112 Cl12 Cl8 -97.8(18) . . . . ?
Cl10 C112 Cl12 Cl8 -110(2) . . . . ?
Cl11 C112 Cl12 Cl8 14.1(12) . . . . ?
Cl11 Cl8 Cl12 C112 -15.6(12) . . . . ?
C111 Cl8 Cl12 C112 1.8(12) . . . . ?

_refine_diff_density_max         4.379
_refine_diff_density_min         -2.737
_refine_diff_density_rms         0.254

####################################################################### 
# 
# 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_platon
_database_code_depnum_ccdc_archive 'CCDC 1523984'
_audit_update_record             
;
2017-01-31 deposited with the CCDC.
2017-02-02 downloaded from the CCDC.
;
_audit_creation_date             2017-01-30
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'2(C54 H42 Cl Ni P3 Sb), 3(C H2 Cl2), 2(C24 H20 B)'
_chemical_formula_sum            'C159 H130 B2 Cl8 Ni2 P6 Sb2'
_chemical_formula_weight         2892.58
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   49.945(4)
_cell_length_b                   9.6700(9)
_cell_length_c                   34.967(3)
_cell_angle_alpha                90
_cell_angle_beta                 129.231(4)
_cell_angle_gamma                90
_cell_volume                     13081(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    8661
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      26.45
_cell_measurement_theta_min      2.19
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.984
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6222
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0619 before and 0.0528 after correction.
The Ratio of minimum to maximum transmission is 0.8344.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            violet
_exptl_crystal_colour_primary    violet
_exptl_crystal_density_diffrn    1.469
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             5912
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.09
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0744
_diffrn_reflns_av_unetI/netI     0.0539
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       60
_diffrn_reflns_limit_h_min       -60
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_number            62666
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.500
_diffrn_reflns_theta_min         1.640
_diffrn_ambient_temperature      173.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9413
_reflns_number_total             12176
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_collection       'APEX2  (Bruker, 2008)'
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_refine_diff_density_max         1.688
_refine_diff_density_min         -1.890
_refine_diff_density_rms         0.119
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.158
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     808
_refine_ls_number_reflns         12176
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0848
_refine_ls_R_factor_gt           0.0620
_refine_ls_restrained_S_all      1.158
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0147P)²+200.2121P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1266
_refine_ls_wR_factor_ref         0.1353
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Restrained distances
 C80-Cl4
 1.78 with sigma of 0.02
 C80-Cl5
 1.78 with sigma of 0.02
 Cl4-Cl5
 2.9 with sigma of 0.04
3. Uiso/Uaniso restraints and constraints
Uanis(C80) = Uanis(Cl4) = Uanis(Cl5)
4. Others
 Fixed Sof: C80(0.5) H80A(0.5) H80B(0.5) Cl4(0.5) Cl5(0.5)
5.a Secondary CH2 refined with riding coordinates:
 C79(H79A,H79B), C80(H80A,H80B)
5.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6), C8(H8), C9(H9), C10(H10), C11(H11), C12(H12),
 C14(H14), C15(H15), C16(H16), C17(H17), C18(H18), C21(H21), C22(H22), C23(H23),
  C24(H24), C26(H26), C27(H27), C28(H28), C29(H29), C30(H30), C32(H32),
 C33(H33), C34(H34), C35(H35), C36(H36), C39(H39), C40(H40), C41(H41), C42(H42),
  C44(H44), C45(H45), C46(H46), C47(H47), C48(H48), C50(H50), C51(H51),
 C52(H52), C53(H53), C54(H54), C56(H56), C57(H57), C58(H58), C59(H59), C60(H60),
  C62(H62), C63(H63), C64(H64), C65(H65), C66(H66), C68(H68), C69(H69),
 C70(H70), C71(H71), C72(H72), C74(H74), C75(H75), C76(H76), C77(H77), C78(H78)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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
Sb1 Sb 0.12214(2) 0.00781(4) 0.21614(2) 0.01447(10) Uani 1 1 d . . . . .
Ni1 Ni 0.12252(2) 0.25107(8) 0.21338(3) 0.01425(16) Uani 1 1 d . . . . .
Cl1 Cl 0.12016(3) 0.48256(14) 0.20848(5) 0.0185(3) Uani 1 1 d . . . . .
Cl2 Cl 0.28442(6) 0.3827(3) 0.14711(8) 0.0584(6) Uani 1 1 d . . . . .
Cl3 Cl 0.24006(9) 0.4383(5) 0.04371(10) 0.146(2) Uani 1 1 d . . . . .
P1 P 0.17412(4) 0.22382(15) 0.22727(5) 0.0153(3) Uani 1 1 d . . . . .
P2 P 0.07469(4) 0.22259(16) 0.13178(5) 0.0156(3) Uani 1 1 d . . . . .
P3 P 0.12195(4) 0.23970(17) 0.27860(5) 0.0169(3) Uani 1 1 d . . . . .
C1 C 0.16718(14) -0.0638(6) 0.2287(2) 0.0176(13) Uani 1 1 d . . . . .
C2 C 0.18728(14) 0.0439(6) 0.2317(2) 0.0167(12) Uani 1 1 d . . . . .
C3 C 0.21789(14) 0.0094(6) 0.2396(2) 0.0201(13) Uani 1 1 d . . . . .
H3 H 0.2316 0.0800 0.2406 0.024 Uiso 1 1 calc R . . . .
C4 C 0.22798(15) -0.1286(7) 0.2457(2) 0.0225(13) Uani 1 1 d . . . . .
H4 H 0.2486 -0.1515 0.2511 0.027 Uiso 1 1 calc R . . . .
C5 C 0.20819(15) -0.2324(6) 0.2440(2) 0.0231(14) Uani 1 1 d . . . . .
H5 H 0.2156 -0.3258 0.2491 0.028 Uiso 1 1 calc R . . . .
C6 C 0.17764(15) -0.2010(6) 0.2350(2) 0.0209(13) Uani 1 1 d . . . . .
H6 H 0.1639 -0.2728 0.2332 0.025 Uiso 1 1 calc R . . . .
C7 C 0.17808(14) 0.2974(6) 0.1827(2) 0.0179(13) Uani 1 1 d . . . . .
C8 C 0.18062(15) 0.4393(7) 0.1801(2) 0.0221(14) Uani 1 1 d . . . . .
H8 H 0.1783 0.4984 0.1996 0.026 Uiso 1 1 calc R . . . .
C9 C 0.18654(15) 0.4963(7) 0.1496(2) 0.0253(14) Uani 1 1 d . . . . .
H9 H 0.1888 0.5936 0.1489 0.030 Uiso 1 1 calc R . . . .
C10 C 0.18910(16) 0.4115(7) 0.1203(2) 0.0287(16) Uani 1 1 d . . . . .
H10 H 0.1940 0.4500 0.1003 0.034 Uiso 1 1 calc R . . . .
C11 C 0.18449(16) 0.2714(7) 0.1199(2) 0.0285(15) Uani 1 1 d . . . . .
H11 H 0.1853 0.2136 0.0988 0.034 Uiso 1 1 calc R . . . .
C12 C 0.17856(16) 0.2133(7) 0.1505(2) 0.0244(14) Uani 1 1 d . . . . .
H12 H 0.1748 0.1165 0.1495 0.029 Uiso 1 1 calc R . . . .
C13 C 0.21118(14) 0.2984(6) 0.2862(2) 0.0190(13) Uani 1 1 d . . . . .
C14 C 0.20928(16) 0.4377(6) 0.2961(2) 0.0249(14) Uani 1 1 d . . . . .
H14 H 0.1891 0.4901 0.2724 0.030 Uiso 1 1 calc R . . . .
C15 C 0.23649(16) 0.4990(7) 0.3401(2) 0.0320(16) Uani 1 1 d . . . . .
H15 H 0.2352 0.5940 0.3458 0.038 Uiso 1 1 calc R . . . .
C16 C 0.26566(16) 0.4220(7) 0.3759(2) 0.0300(16) Uani 1 1 d . . . . .
H16 H 0.2842 0.4639 0.4062 0.036 Uiso 1 1 calc R . . . .
C17 C 0.26756(15) 0.2859(7) 0.3674(2) 0.0259(15) Uani 1 1 d . . . . .
H17 H 0.2874 0.2335 0.3920 0.031 Uiso 1 1 calc R . . . .
C18 C 0.24069(14) 0.2229(6) 0.3229(2) 0.0213(13) Uani 1 1 d . . . . .
H18 H 0.2425 0.1281 0.3176 0.026 Uiso 1 1 calc R . . . .
C19 C 0.07636(13) -0.0615(6) 0.1486(2) 0.0163(12) Uani 1 1 d . . . . .
C20 C 0.05661(14) 0.0464(6) 0.1156(2) 0.0170(12) Uani 1 1 d . . . . .
C21 C 0.02390(14) 0.0144(7) 0.0713(2) 0.0206(13) Uani 1 1 d . . . . .
H21 H 0.0098 0.0859 0.0483 0.025 Uiso 1 1 calc R . . . .
C22 C 0.01203(15) -0.1205(7) 0.0607(2) 0.0219(14) Uani 1 1 d . . . . .
H22 H -0.0102 -0.1408 0.0306 0.026 Uiso 1 1 calc R . . . .
C23 C 0.03232(15) -0.2274(7) 0.0938(2) 0.0225(14) Uani 1 1 d . . . . .
H23 H 0.0240 -0.3199 0.0859 0.027 Uiso 1 1 calc R . . . .
C24 C 0.06460(15) -0.1980(6) 0.1382(2) 0.0206(13) Uani 1 1 d . . . . .
H24 H 0.0785 -0.2697 0.1611 0.025 Uiso 1 1 calc R . . . .
C25 C 0.08491(13) 0.2529(6) 0.09066(19) 0.0166(12) Uani 1 1 d . . . . .
C26 C 0.09441(14) 0.3878(6) 0.0884(2) 0.0180(13) Uani 1 1 d . . . . .
H26 H 0.0962 0.4587 0.1087 0.022 Uiso 1 1 calc R . . . .
C27 C 0.10106(14) 0.4166(6) 0.0562(2) 0.0203(13) Uani 1 1 d . . . . .
H27 H 0.1078 0.5071 0.0549 0.024 Uiso 1 1 calc R . . . .
C28 C 0.09779(14) 0.3131(6) 0.0260(2) 0.0193(13) Uani 1 1 d . . . . .
H28 H 0.1018 0.3340 0.0035 0.023 Uiso 1 1 calc R . . . .
C29 C 0.08874(15) 0.1798(7) 0.0283(2) 0.0222(14) Uani 1 1 d . . . . .
H29 H 0.0867 0.1094 0.0076 0.027 Uiso 1 1 calc R . . . .
C30 C 0.08261(14) 0.1497(6) 0.0612(2) 0.0192(13) Uani 1 1 d . . . . .
H30 H 0.0768 0.0581 0.0634 0.023 Uiso 1 1 calc R . . . .
C31 C 0.03670(14) 0.3316(6) 0.1043(2) 0.0174(13) Uani 1 1 d . . . . .
C32 C 0.02748(15) 0.3749(7) 0.1323(2) 0.0255(14) Uani 1 1 d . . . . .
H32 H 0.0423 0.3567 0.1668 0.031 Uiso 1 1 calc R . . . .
C33 C -0.00338(16) 0.4446(7) 0.1101(2) 0.0297(16) Uani 1 1 d . . . . .
H33 H -0.0099 0.4717 0.1294 0.036 Uiso 1 1 calc R . . . .
C34 C -0.02487(15) 0.4752(7) 0.0603(2) 0.0236(14) Uani 1 1 d . . . . .
H34 H -0.0459 0.5237 0.0454 0.028 Uiso 1 1 calc R . . . .
C35 C -0.01563(15) 0.4350(7) 0.0326(2) 0.0228(14) Uani 1 1 d . . . . .
H35 H -0.0303 0.4564 -0.0016 0.027 Uiso 1 1 calc R . . . .
C36 C 0.01489(15) 0.3635(7) 0.0539(2) 0.0221(13) Uani 1 1 d . . . . .
H36 H 0.0210 0.3360 0.0343 0.026 Uiso 1 1 calc R . . . .
C37 C 0.12158(15) -0.0500(7) 0.2738(2) 0.0225(14) Uani 1 1 d . . . . .
C38 C 0.12091(16) 0.0645(7) 0.2979(2) 0.0231(14) Uani 1 1 d . . . . .
C39 C 0.12075(17) 0.0410(7) 0.3372(2) 0.0280(15) Uani 1 1 d . . . . .
H39 H 0.1197 0.1174 0.3533 0.034 Uiso 1 1 calc R . . . .
C40 C 0.1221(2) -0.0913(7) 0.3529(3) 0.0345(17) Uani 1 1 d . . . . .
H40 H 0.1225 -0.1053 0.3801 0.041 Uiso 1 1 calc R . . . .
C41 C 0.12283(19) -0.2053(7) 0.3289(3) 0.0344(17) Uani 1 1 d . . . . .
H41 H 0.1234 -0.2964 0.3395 0.041 Uiso 1 1 calc R . . . .
C42 C 0.12268(17) -0.1847(7) 0.2892(2) 0.0265(15) Uani 1 1 d . . . . .
H42 H 0.1233 -0.2614 0.2728 0.032 Uiso 1 1 calc R . . . .
C43 C 0.15722(15) 0.3115(7) 0.3389(2) 0.0219(14) Uani 1 1 d . . . . .
C44 C 0.19066(16) 0.2617(8) 0.3615(2) 0.0299(15) Uani 1 1 d . . . . .
H44 H 0.1943 0.2022 0.3437 0.036 Uiso 1 1 calc R . . . .
C45 C 0.21803(17) 0.2979(9) 0.4091(2) 0.040(2) Uani 1 1 d . . . . .
H45 H 0.2405 0.2633 0.4241 0.048 Uiso 1 1 calc R . . . .
C46 C 0.21271(18) 0.3852(9) 0.4350(3) 0.046(2) Uani 1 1 d . . . . .
H46 H 0.2317 0.4118 0.4678 0.055 Uiso 1 1 calc R . . . .
C47 C 0.18002(19) 0.4340(9) 0.4139(3) 0.043(2) Uani 1 1 d . . . . .
H47 H 0.1766 0.4937 0.4321 0.051 Uiso 1 1 calc R . . . .
C48 C 0.15209(17) 0.3960(7) 0.3660(2) 0.0308(16) Uani 1 1 d . . . . .
H48 H 0.1295 0.4275 0.3518 0.037 Uiso 1 1 calc R . . . .
C49 C 0.08304(15) 0.3210(7) 0.2619(2) 0.0212(13) Uani 1 1 d . . . . .
C50 C 0.08049(17) 0.4663(7) 0.2583(2) 0.0309(16) Uani 1 1 d . . . . .
H50 H 0.0999 0.5198 0.2683 0.037 Uiso 1 1 calc R . . . .
C51 C 0.04982(18) 0.5315(8) 0.2404(2) 0.0369(18) Uani 1 1 d . . . . .
H51 H 0.0485 0.6296 0.2384 0.044 Uiso 1 1 calc R . . . .
C52 C 0.02162(18) 0.4565(8) 0.2255(2) 0.0359(18) Uani 1 1 d . . . . .
H52 H 0.0008 0.5025 0.2134 0.043 Uiso 1 1 calc R . . . .
C53 C 0.02316(17) 0.3149(9) 0.2280(2) 0.0361(18) Uani 1 1 d . . . . .
H53 H 0.0033 0.2632 0.2171 0.043 Uiso 1 1 calc R . . . .
C54 C 0.05428(16) 0.2452(8) 0.2468(2) 0.0298(15) Uani 1 1 d . . . . .
H54 H 0.0554 0.1471 0.2490 0.036 Uiso 1 1 calc R . . . .
C55 C 0.10085(15) 0.2830(6) 0.4361(2) 0.0202(13) Uani 1 1 d . . . . .
C56 C 0.08147(17) 0.3082(7) 0.3854(2) 0.0290(15) Uani 1 1 d . . . . .
H56 H 0.0686 0.2337 0.3632 0.035 Uiso 1 1 calc R . . . .
C57 C 0.07991(18) 0.4350(8) 0.3659(3) 0.0366(18) Uani 1 1 d . . . . .
H57 H 0.0665 0.4458 0.3312 0.044 Uiso 1 1 calc R . . . .
C58 C 0.0979(2) 0.5457(8) 0.3970(3) 0.041(2) Uani 1 1 d . . . . .
H58 H 0.0965 0.6339 0.3839 0.050 Uiso 1 1 calc R . . . .
C59 C 0.1181(2) 0.5274(7) 0.4478(3) 0.0401(19) Uani 1 1 d . . . . .
H59 H 0.1313 0.6018 0.4697 0.048 Uiso 1 1 calc R . . . .
C60 C 0.11860(19) 0.3979(7) 0.4662(3) 0.0298(16) Uani 1 1 d . . . . .
H60 H 0.1317 0.3877 0.5008 0.036 Uiso 1 1 calc R . . . .
C61 C 0.13936(15) 0.0552(6) 0.4721(2) 0.0196(13) Uani 1 1 d . . . . .
C62 C 0.15116(15) -0.0754(7) 0.4957(2) 0.0239(14) Uani 1 1 d . . . . .
H62 H 0.1389 -0.1197 0.5048 0.029 Uiso 1 1 calc R . . . .
C63 C 0.17995(16) -0.1416(7) 0.5063(2) 0.0290(15) Uani 1 1 d . . . . .
H63 H 0.1863 -0.2310 0.5209 0.035 Uiso 1 1 calc R . . . .
C64 C 0.19940(16) -0.0775(7) 0.4958(2) 0.0286(15) Uani 1 1 d . . . . .
H64 H 0.2195 -0.1210 0.5040 0.034 Uiso 1 1 calc R . . . .
C65 C 0.18908(16) 0.0513(7) 0.4731(2) 0.0296(16) Uani 1 1 d . . . . .
H65 H 0.2019 0.0956 0.4650 0.035 Uiso 1 1 calc R . . . .
C66 C 0.15995(16) 0.1161(7) 0.4622(2) 0.0244(14) Uani 1 1 d . . . . .
H66 H 0.1538 0.2052 0.4475 0.029 Uiso 1 1 calc R . . . .
C67 C 0.06951(15) 0.0343(7) 0.4188(2) 0.0238(14) Uani 1 1 d . . . . .
C68 C 0.03629(17) 0.0942(8) 0.3923(2) 0.0300(16) Uani 1 1 d . . . . .
H68 H 0.0346 0.1904 0.3960 0.036 Uiso 1 1 calc R . . . .
C69 C 0.00574(17) 0.0178(9) 0.3611(2) 0.0357(17) Uani 1 1 d . . . . .
H69 H -0.0161 0.0617 0.3440 0.043 Uiso 1 1 calc R . . . .
C70 C 0.00775(19) -0.1216(8) 0.3553(3) 0.0392(18) Uani 1 1 d . . . . .
H70 H -0.0128 -0.1747 0.3346 0.047 Uiso 1 1 calc R . . . .
C71 C 0.03901(19) -0.1835(8) 0.3792(3) 0.0394(18) Uani 1 1 d . . . . .
H71 H 0.0403 -0.2796 0.3749 0.047 Uiso 1 1 calc R . . . .
C72 C 0.06929(18) -0.1061(7) 0.4102(2) 0.0304(16) Uani 1 1 d . . . . .
H72 H 0.0908 -0.1516 0.4261 0.036 Uiso 1 1 calc R . . . .
C73 C 0.10928(15) 0.1482(6) 0.5094(2) 0.0188(13) Uani 1 1 d . . . . .
C74 C 0.08162(15) 0.1868(6) 0.5085(2) 0.0207(13) Uani 1 1 d . . . . .
H74 H 0.0592 0.1954 0.4774 0.025 Uiso 1 1 calc R . . . .
C75 C 0.08550(16) 0.2128(6) 0.5510(2) 0.0231(14) Uani 1 1 d . . . . .
H75 H 0.0660 0.2383 0.5483 0.028 Uiso 1 1 calc R . . . .
C76 C 0.11778(17) 0.2016(7) 0.5973(2) 0.0256(14) Uani 1 1 d . . . . .
H76 H 0.1207 0.2195 0.6264 0.031 Uiso 1 1 calc R . . . .
C77 C 0.14572(16) 0.1637(7) 0.6000(2) 0.0260(15) Uani 1 1 d . . . . .
H77 H 0.1680 0.1552 0.6312 0.031 Uiso 1 1 calc R . . . .
C78 C 0.14109(15) 0.1381(6) 0.5570(2) 0.0214(13) Uani 1 1 d . . . . .
H78 H 0.1607 0.1121 0.5602 0.026 Uiso 1 1 calc R . . . .
C79 C 0.2815(3) 0.3802(15) 0.0946(3) 0.095(4) Uani 1 1 d . . . . .
H79A H 0.2854 0.2852 0.0884 0.114 Uiso 1 1 calc R . . . .
H79B H 0.2994 0.4413 0.0995 0.114 Uiso 1 1 calc R . . . .
C80 C 0.0094(4) 0.9441(17) 0.2662(7) 0.0798(11) Uani 0.5 1 d D . P A -1
H80A H 0.0177 0.9837 0.2981 0.096 Uiso 0.5 1 calc R . P A -1
H80B H 0.0159 1.0081 0.2511 0.096 Uiso 0.5 1 calc R . P A -1
Cl4 Cl 0.02898(14) 0.7776(6) 0.2761(2) 0.0798(11) Uani 0.5 1 d D . P A -1
Cl5 Cl -0.03565(14) 0.9225(6) 0.2268(2) 0.0798(11) Uani 0.5 1 d D . P A -1
B1 B 0.10465(17) 0.1278(7) 0.4586(2) 0.0193(14) Uani 1 1 d . . . B -1


_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
Sb1 Ni1 2.3548(9) . ?
Sb1 C1 2.117(6) . ?
Sb1 C19 2.103(5) . ?
Sb1 C37 2.110(6) . ?
Ni1 Cl1 2.2425(16) . ?
Ni1 P1 2.3160(16) . ?
Ni1 P2 2.3024(16) . ?
Ni1 P3 2.3013(17) . ?
Cl2 C79 1.750(10) . ?
Cl3 C79 1.763(12) . ?
P1 C2 1.831(6) . ?
P1 C7 1.836(6) . ?
P1 C13 1.835(6) . ?
P2 C20 1.842(6) . ?
P2 C25 1.828(6) . ?
P2 C31 1.825(6) . ?
P3 C38 1.836(6) . ?
P3 C43 1.826(6) . ?
P3 C49 1.817(6) . ?
C1 C2 1.403(8) . ?
C1 C6 1.392(8) . ?
C2 C3 1.412(8) . ?
C3 H3 0.9500 . ?
C3 C4 1.394(9) . ?
C4 H4 0.9500 . ?
C4 C5 1.383(9) . ?
C5 H5 0.9500 . ?
C5 C6 1.383(8) . ?
C6 H6 0.9500 . ?
C7 C8 1.386(8) . ?
C7 C12 1.401(8) . ?
C8 H8 0.9500 . ?
C8 C9 1.389(9) . ?
C9 H9 0.9500 . ?
C9 C10 1.382(9) . ?
C10 H10 0.9500 . ?
C10 C11 1.373(10) . ?
C11 H11 0.9500 . ?
C11 C12 1.394(9) . ?
C12 H12 0.9500 . ?
C13 C14 1.409(8) . ?
C13 C18 1.400(8) . ?
C14 H14 0.9500 . ?
C14 C15 1.386(9) . ?
C15 H15 0.9500 . ?
C15 C16 1.393(9) . ?
C16 H16 0.9500 . ?
C16 C17 1.366(9) . ?
C17 H17 0.9500 . ?
C17 C18 1.397(8) . ?
C18 H18 0.9500 . ?
C19 C20 1.398(8) . ?
C19 C24 1.396(8) . ?
C20 C21 1.401(8) . ?
C21 H21 0.9500 . ?
C21 C22 1.383(9) . ?
C22 H22 0.9500 . ?
C22 C23 1.396(9) . ?
C23 H23 0.9500 . ?
C23 C24 1.387(8) . ?
C24 H24 0.9500 . ?
C25 C26 1.407(8) . ?
C25 C30 1.386(8) . ?
C26 H26 0.9500 . ?
C26 C27 1.387(8) . ?
C27 H27 0.9500 . ?
C27 C28 1.388(8) . ?
C28 H28 0.9500 . ?
C28 C29 1.385(9) . ?
C29 H29 0.9500 . ?
C29 C30 1.395(8) . ?
C30 H30 0.9500 . ?
C31 C32 1.385(8) . ?
C31 C36 1.399(8) . ?
C32 H32 0.9500 . ?
C32 C33 1.385(8) . ?
C33 H33 0.9500 . ?
C33 C34 1.382(9) . ?
C34 H34 0.9500 . ?
C34 C35 1.368(9) . ?
C35 H35 0.9500 . ?
C35 C36 1.386(8) . ?
C36 H36 0.9500 . ?
C37 C38 1.403(9) . ?
C37 C42 1.396(9) . ?
C38 C39 1.398(9) . ?
C39 H39 0.9500 . ?
C39 C40 1.377(9) . ?
C40 H40 0.9500 . ?
C40 C41 1.400(10) . ?
C41 H41 0.9500 . ?
C41 C42 1.398(9) . ?
C42 H42 0.9500 . ?
C43 C44 1.406(8) . ?
C43 C48 1.393(9) . ?
C44 H44 0.9500 . ?
C44 C45 1.371(9) . ?
C45 H45 0.9500 . ?
C45 C46 1.383(11) . ?
C46 H46 0.9500 . ?
C46 C47 1.381(11) . ?
C47 H47 0.9500 . ?
C47 C48 1.388(9) . ?
C48 H48 0.9500 . ?
C49 C50 1.409(9) . ?
C49 C54 1.386(9) . ?
C50 H50 0.9500 . ?
C50 C51 1.386(9) . ?
C51 H51 0.9500 . ?
C51 C52 1.362(10) . ?
C52 H52 0.9500 . ?
C52 C53 1.371(11) . ?
C53 H53 0.9500 . ?
C53 C54 1.418(10) . ?
C54 H54 0.9500 . ?
C55 C56 1.401(9) . ?
C55 C60 1.396(9) . ?
C55 B1 1.649(9) . ?
C56 H56 0.9500 . ?
C56 C57 1.382(10) . ?
C57 H57 0.9500 . ?
C57 C58 1.380(11) . ?
C58 H58 0.9500 . ?
C58 C59 1.391(11) . ?
C59 H59 0.9500 . ?
C59 C60 1.400(9) . ?
C60 H60 0.9500 . ?
C61 C62 1.418(9) . ?
C61 C66 1.404(8) . ?
C61 B1 1.640(9) . ?
C62 H62 0.9500 . ?
C62 C63 1.393(9) . ?
C63 H63 0.9500 . ?
C63 C64 1.384(9) . ?
C64 H64 0.9500 . ?
C64 C65 1.389(10) . ?
C65 H65 0.9500 . ?
C65 C66 1.397(9) . ?
C66 H66 0.9500 . ?
C67 C68 1.415(9) . ?
C67 C72 1.389(9) . ?
C67 B1 1.657(9) . ?
C68 H68 0.9500 . ?
C68 C69 1.399(9) . ?
C69 H69 0.9500 . ?
C69 C70 1.376(11) . ?
C70 H70 0.9500 . ?
C70 C71 1.358(10) . ?
C71 H71 0.9500 . ?
C71 C72 1.396(9) . ?
C72 H72 0.9500 . ?
C73 C74 1.411(8) . ?
C73 C78 1.400(8) . ?
C73 B1 1.652(9) . ?
C74 H74 0.9500 . ?
C74 C75 1.396(8) . ?
C75 H75 0.9500 . ?
C75 C76 1.389(9) . ?
C76 H76 0.9500 . ?
C76 C77 1.387(9) . ?
C77 H77 0.9500 . ?
C77 C78 1.391(9) . ?
C78 H78 0.9500 . ?
C79 H79A 0.9900 . ?
C79 H79B 0.9900 . ?
C80 H80A 0.9900 . ?
C80 H80B 0.9900 . ?
C80 Cl4 1.799(14) . ?
C80 Cl5 1.758(15) . ?

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
C1 Sb1 Ni1 107.48(17) . . ?
C19 Sb1 Ni1 107.67(17) . . ?
C19 Sb1 C1 112.7(2) . . ?
C19 Sb1 C37 109.1(2) . . ?
C37 Sb1 Ni1 107.99(18) . . ?
C37 Sb1 C1 111.7(2) . . ?
Cl1 Ni1 Sb1 177.31(5) . . ?
Cl1 Ni1 P1 97.31(6) . . ?
Cl1 Ni1 P2 93.53(6) . . ?
Cl1 Ni1 P3 95.19(6) . . ?
P1 Ni1 Sb1 85.09(5) . . ?
P2 Ni1 Sb1 84.40(5) . . ?
P2 Ni1 P1 113.02(6) . . ?
P3 Ni1 Sb1 84.62(5) . . ?
P3 Ni1 P1 119.75(6) . . ?
P3 Ni1 P2 124.68(6) . . ?
C2 P1 Ni1 114.70(19) . . ?
C2 P1 C7 102.4(3) . . ?
C2 P1 C13 103.0(3) . . ?
C7 P1 Ni1 118.78(18) . . ?
C13 P1 Ni1 112.9(2) . . ?
C13 P1 C7 103.2(3) . . ?
C20 P2 Ni1 114.49(19) . . ?
C25 P2 Ni1 111.63(18) . . ?
C25 P2 C20 103.5(3) . . ?
C31 P2 Ni1 120.1(2) . . ?
C31 P2 C20 103.2(3) . . ?
C31 P2 C25 102.0(3) . . ?
C38 P3 Ni1 115.4(2) . . ?
C43 P3 Ni1 121.3(2) . . ?
C43 P3 C38 99.1(3) . . ?
C49 P3 Ni1 110.0(2) . . ?
C49 P3 C38 104.1(3) . . ?
C49 P3 C43 105.1(3) . . ?
C2 C1 Sb1 112.9(4) . . ?
C6 C1 Sb1 126.0(4) . . ?
C6 C1 C2 121.1(5) . . ?
C1 C2 P1 119.8(4) . . ?
C1 C2 C3 118.3(5) . . ?
C3 C2 P1 121.8(4) . . ?
C2 C3 H3 120.1 . . ?
C4 C3 C2 119.8(6) . . ?
C4 C3 H3 120.1 . . ?
C3 C4 H4 119.7 . . ?
C5 C4 C3 120.6(5) . . ?
C5 C4 H4 119.7 . . ?
C4 C5 H5 119.8 . . ?
C6 C5 C4 120.4(6) . . ?
C6 C5 H5 119.8 . . ?
C1 C6 H6 120.2 . . ?
C5 C6 C1 119.6(6) . . ?
C5 C6 H6 120.2 . . ?
C8 C7 P1 120.1(5) . . ?
C8 C7 C12 118.4(6) . . ?
C12 C7 P1 121.6(5) . . ?
C7 C8 H8 119.5 . . ?
C7 C8 C9 121.0(6) . . ?
C9 C8 H8 119.5 . . ?
C8 C9 H9 120.0 . . ?
C10 C9 C8 120.0(6) . . ?
C10 C9 H9 120.0 . . ?
C9 C10 H10 120.1 . . ?
C11 C10 C9 119.9(6) . . ?
C11 C10 H10 120.1 . . ?
C10 C11 H11 119.8 . . ?
C10 C11 C12 120.5(6) . . ?
C12 C11 H11 119.8 . . ?
C7 C12 H12 120.0 . . ?
C11 C12 C7 120.1(6) . . ?
C11 C12 H12 120.0 . . ?
C14 C13 P1 118.3(5) . . ?
C18 C13 P1 123.7(5) . . ?
C18 C13 C14 117.9(5) . . ?
C13 C14 H14 119.6 . . ?
C15 C14 C13 120.7(6) . . ?
C15 C14 H14 119.6 . . ?
C14 C15 H15 119.9 . . ?
C14 C15 C16 120.2(6) . . ?
C16 C15 H15 119.9 . . ?
C15 C16 H16 120.1 . . ?
C17 C16 C15 119.7(6) . . ?
C17 C16 H16 120.1 . . ?
C16 C17 H17 119.6 . . ?
C16 C17 C18 120.9(6) . . ?
C18 C17 H17 119.6 . . ?
C13 C18 H18 119.8 . . ?
C17 C18 C13 120.4(6) . . ?
C17 C18 H18 119.8 . . ?
C20 C19 Sb1 112.8(4) . . ?
C24 C19 Sb1 125.0(4) . . ?
C24 C19 C20 121.9(5) . . ?
C19 C20 P2 118.9(4) . . ?
C19 C20 C21 118.0(5) . . ?
C21 C20 P2 123.1(5) . . ?
C20 C21 H21 119.8 . . ?
C22 C21 C20 120.4(6) . . ?
C22 C21 H21 119.8 . . ?
C21 C22 H22 119.6 . . ?
C21 C22 C23 120.9(5) . . ?
C23 C22 H22 119.6 . . ?
C22 C23 H23 120.1 . . ?
C24 C23 C22 119.7(6) . . ?
C24 C23 H23 120.1 . . ?
C19 C24 H24 120.5 . . ?
C23 C24 C19 119.1(6) . . ?
C23 C24 H24 120.5 . . ?
C26 C25 P2 117.7(4) . . ?
C30 C25 P2 122.4(5) . . ?
C30 C25 C26 119.8(5) . . ?
C25 C26 H26 120.2 . . ?
C27 C26 C25 119.6(5) . . ?
C27 C26 H26 120.2 . . ?
C26 C27 H27 120.1 . . ?
C26 C27 C28 119.9(6) . . ?
C28 C27 H27 120.1 . . ?
C27 C28 H28 119.5 . . ?
C29 C28 C27 120.9(6) . . ?
C29 C28 H28 119.5 . . ?
C28 C29 H29 120.3 . . ?
C28 C29 C30 119.4(6) . . ?
C30 C29 H29 120.3 . . ?
C25 C30 C29 120.3(6) . . ?
C25 C30 H30 119.8 . . ?
C29 C30 H30 119.8 . . ?
C32 C31 P2 120.1(4) . . ?
C32 C31 C36 118.8(5) . . ?
C36 C31 P2 120.8(5) . . ?
C31 C32 H32 120.0 . . ?
C33 C32 C31 120.0(6) . . ?
C33 C32 H32 120.0 . . ?
C32 C33 H33 119.6 . . ?
C34 C33 C32 120.8(6) . . ?
C34 C33 H33 119.6 . . ?
C33 C34 H34 120.3 . . ?
C35 C34 C33 119.5(6) . . ?
C35 C34 H34 120.3 . . ?
C34 C35 H35 119.7 . . ?
C34 C35 C36 120.6(6) . . ?
C36 C35 H35 119.7 . . ?
C31 C36 H36 119.9 . . ?
C35 C36 C31 120.2(6) . . ?
C35 C36 H36 119.9 . . ?
C38 C37 Sb1 112.6(4) . . ?
C42 C37 Sb1 126.4(5) . . ?
C42 C37 C38 121.0(6) . . ?
C37 C38 P3 119.4(5) . . ?
C39 C38 P3 122.0(5) . . ?
C39 C38 C37 118.5(6) . . ?
C38 C39 H39 119.5 . . ?
C40 C39 C38 121.0(6) . . ?
C40 C39 H39 119.5 . . ?
C39 C40 H40 119.8 . . ?
C39 C40 C41 120.3(6) . . ?
C41 C40 H40 119.8 . . ?
C40 C41 H41 120.1 . . ?
C42 C41 C40 119.8(6) . . ?
C42 C41 H41 120.1 . . ?
C37 C42 C41 119.3(6) . . ?
C37 C42 H42 120.4 . . ?
C41 C42 H42 120.4 . . ?
C44 C43 P3 117.1(5) . . ?
C48 C43 P3 123.4(5) . . ?
C48 C43 C44 118.8(6) . . ?
C43 C44 H44 119.5 . . ?
C45 C44 C43 120.9(7) . . ?
C45 C44 H44 119.5 . . ?
C44 C45 H45 120.2 . . ?
C44 C45 C46 119.5(7) . . ?
C46 C45 H45 120.2 . . ?
C45 C46 H46 119.7 . . ?
C47 C46 C45 120.6(7) . . ?
C47 C46 H46 119.7 . . ?
C46 C47 H47 119.9 . . ?
C46 C47 C48 120.1(7) . . ?
C48 C47 H47 119.9 . . ?
C43 C48 H48 120.1 . . ?
C47 C48 C43 119.9(6) . . ?
C47 C48 H48 120.1 . . ?
C50 C49 P3 118.6(5) . . ?
C54 C49 P3 122.3(5) . . ?
C54 C49 C50 118.7(6) . . ?
C49 C50 H50 119.8 . . ?
C51 C50 C49 120.4(7) . . ?
C51 C50 H50 119.8 . . ?
C50 C51 H51 119.7 . . ?
C52 C51 C50 120.7(7) . . ?
C52 C51 H51 119.7 . . ?
C51 C52 H52 119.8 . . ?
C51 C52 C53 120.3(7) . . ?
C53 C52 H52 119.8 . . ?
C52 C53 H53 119.8 . . ?
C52 C53 C54 120.4(7) . . ?
C54 C53 H53 119.8 . . ?
C49 C54 C53 119.6(7) . . ?
C49 C54 H54 120.2 . . ?
C53 C54 H54 120.2 . . ?
C56 C55 B1 122.7(6) . . ?
C60 C55 C56 114.7(6) . . ?
C60 C55 B1 122.5(5) . . ?
C55 C56 H56 118.1 . . ?
C57 C56 C55 123.9(7) . . ?
C57 C56 H56 118.1 . . ?
C56 C57 H57 120.2 . . ?
C58 C57 C56 119.5(7) . . ?
C58 C57 H57 120.2 . . ?
C57 C58 H58 120.2 . . ?
C57 C58 C59 119.6(7) . . ?
C59 C58 H58 120.2 . . ?
C58 C59 H59 120.4 . . ?
C58 C59 C60 119.2(7) . . ?
C60 C59 H59 120.4 . . ?
C55 C60 C59 123.1(7) . . ?
C55 C60 H60 118.4 . . ?
C59 C60 H60 118.4 . . ?
C62 C61 B1 121.5(5) . . ?
C66 C61 C62 114.7(6) . . ?
C66 C61 B1 123.8(6) . . ?
C61 C62 H62 118.6 . . ?
C63 C62 C61 122.9(6) . . ?
C63 C62 H62 118.6 . . ?
C62 C63 H63 119.9 . . ?
C64 C63 C62 120.2(6) . . ?
C64 C63 H63 119.9 . . ?
C63 C64 H64 120.5 . . ?
C63 C64 C65 118.9(6) . . ?
C65 C64 H64 120.5 . . ?
C64 C65 H65 119.8 . . ?
C64 C65 C66 120.3(6) . . ?
C66 C65 H65 119.8 . . ?
C61 C66 H66 118.6 . . ?
C65 C66 C61 122.8(6) . . ?
C65 C66 H66 118.6 . . ?
C68 C67 B1 120.5(6) . . ?
C72 C67 C68 114.4(6) . . ?
C72 C67 B1 125.1(6) . . ?
C67 C68 H68 118.5 . . ?
C69 C68 C67 122.9(7) . . ?
C69 C68 H68 118.5 . . ?
C68 C69 H69 120.4 . . ?
C70 C69 C68 119.1(7) . . ?
C70 C69 H69 120.4 . . ?
C69 C70 H70 119.9 . . ?
C71 C70 C69 120.3(7) . . ?
C71 C70 H70 119.9 . . ?
C70 C71 H71 120.0 . . ?
C70 C71 C72 120.0(7) . . ?
C72 C71 H71 120.0 . . ?
C67 C72 C71 123.3(7) . . ?
C67 C72 H72 118.4 . . ?
C71 C72 H72 118.4 . . ?
C74 C73 B1 122.5(5) . . ?
C78 C73 C74 113.8(5) . . ?
C78 C73 B1 123.5(5) . . ?
C73 C74 H74 118.3 . . ?
C75 C74 C73 123.3(6) . . ?
C75 C74 H74 118.3 . . ?
C74 C75 H75 119.9 . . ?
C76 C75 C74 120.2(6) . . ?
C76 C75 H75 119.9 . . ?
C75 C76 H76 120.8 . . ?
C77 C76 C75 118.4(6) . . ?
C77 C76 H76 120.8 . . ?
C76 C77 H77 120.0 . . ?
C76 C77 C78 120.1(6) . . ?
C78 C77 H77 120.0 . . ?
C73 C78 H78 118.0 . . ?
C77 C78 C73 124.1(6) . . ?
C77 C78 H78 118.0 . . ?
Cl2 C79 Cl3 108.6(7) . . ?
Cl2 C79 H79A 110.0 . . ?
Cl2 C79 H79B 110.0 . . ?
Cl3 C79 H79A 110.0 . . ?
Cl3 C79 H79B 110.0 . . ?
H79A C79 H79B 108.3 . . ?
H80A C80 H80B 108.4 . . ?
Cl4 C80 H80A 110.0 . . ?
Cl4 C80 H80B 110.0 . . ?
Cl5 C80 H80A 110.0 . . ?
Cl5 C80 H80B 110.0 . . ?
Cl5 C80 Cl4 108.4(9) . . ?
C55 B1 C67 110.8(5) . . ?
C55 B1 C73 107.5(5) . . ?
C61 B1 C55 107.9(5) . . ?
C61 B1 C67 111.9(5) . . ?
C61 B1 C73 109.8(5) . . ?
C73 B1 C67 108.8(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
Sb1 C1 C2 P1 2.3(6) . . . . ?
Sb1 C1 C2 C3 -179.4(4) . . . . ?
Sb1 C1 C6 C5 -178.6(4) . . . . ?
Sb1 C19 C20 P2 6.8(6) . . . . ?
Sb1 C19 C20 C21 -173.7(4) . . . . ?
Sb1 C19 C24 C23 173.9(4) . . . . ?
Sb1 C37 C38 P3 -1.8(6) . . . . ?
Sb1 C37 C38 C39 -179.5(5) . . . . ?
Sb1 C37 C42 C41 178.7(5) . . . . ?
Ni1 P1 C2 C1 -2.5(5) . . . . ?
Ni1 P1 C2 C3 179.2(4) . . . . ?
Ni1 P1 C7 C8 72.1(5) . . . . ?
Ni1 P1 C7 C12 -107.8(5) . . . . ?
Ni1 P1 C13 C14 -53.6(5) . . . . ?
Ni1 P1 C13 C18 123.4(5) . . . . ?
Ni1 P2 C20 C19 -14.3(5) . . . . ?
Ni1 P2 C20 C21 166.2(4) . . . . ?
Ni1 P2 C25 C26 -66.0(4) . . . . ?
Ni1 P2 C25 C30 115.9(4) . . . . ?
Ni1 P2 C31 C32 -34.5(6) . . . . ?
Ni1 P2 C31 C36 150.7(4) . . . . ?
Ni1 P3 C38 C37 1.9(6) . . . . ?
Ni1 P3 C38 C39 179.5(5) . . . . ?
Ni1 P3 C43 C44 -56.8(6) . . . . ?
Ni1 P3 C43 C48 132.7(5) . . . . ?
Ni1 P3 C49 C50 -72.9(5) . . . . ?
Ni1 P3 C49 C54 99.0(5) . . . . ?
P1 C2 C3 C4 176.1(4) . . . . ?
P1 C7 C8 C9 174.5(4) . . . . ?
P1 C7 C12 C11 -174.6(5) . . . . ?
P1 C13 C14 C15 179.8(5) . . . . ?
P1 C13 C18 C17 -178.4(5) . . . . ?
P2 C20 C21 C22 178.6(5) . . . . ?
P2 C25 C26 C27 -177.5(4) . . . . ?
P2 C25 C30 C29 176.3(4) . . . . ?
P2 C31 C32 C33 -172.8(5) . . . . ?
P2 C31 C36 C35 173.7(5) . . . . ?
P3 C38 C39 C40 -176.0(6) . . . . ?
P3 C43 C44 C45 -172.5(6) . . . . ?
P3 C43 C48 C47 173.0(6) . . . . ?
P3 C49 C50 C51 172.7(5) . . . . ?
P3 C49 C54 C53 -171.6(5) . . . . ?
C1 C2 C3 C4 -2.2(8) . . . . ?
C2 P1 C7 C8 -160.4(5) . . . . ?
C2 P1 C7 C12 19.8(5) . . . . ?
C2 P1 C13 C14 -177.8(5) . . . . ?
C2 P1 C13 C18 -0.9(6) . . . . ?
C2 C1 C6 C5 -0.6(9) . . . . ?
C2 C3 C4 C5 0.3(9) . . . . ?
C3 C4 C5 C6 1.5(9) . . . . ?
C4 C5 C6 C1 -1.4(9) . . . . ?
C6 C1 C2 P1 -176.0(5) . . . . ?
C6 C1 C2 C3 2.3(8) . . . . ?
C7 P1 C2 C1 -132.5(5) . . . . ?
C7 P1 C2 C3 49.2(5) . . . . ?
C7 P1 C13 C14 75.9(5) . . . . ?
C7 P1 C13 C18 -107.1(5) . . . . ?
C7 C8 C9 C10 1.7(9) . . . . ?
C8 C7 C12 C11 5.5(9) . . . . ?
C8 C9 C10 C11 2.4(9) . . . . ?
C9 C10 C11 C12 -2.5(10) . . . . ?
C10 C11 C12 C7 -1.5(9) . . . . ?
C12 C7 C8 C9 -5.6(9) . . . . ?
C13 P1 C2 C1 120.6(5) . . . . ?
C13 P1 C2 C3 -57.7(5) . . . . ?
C13 P1 C7 C8 -53.7(5) . . . . ?
C13 P1 C7 C12 126.5(5) . . . . ?
C13 C14 C15 C16 -2.4(11) . . . . ?
C14 C13 C18 C17 -1.5(9) . . . . ?
C14 C15 C16 C17 0.8(11) . . . . ?
C15 C16 C17 C18 0.5(10) . . . . ?
C16 C17 C18 C13 -0.1(10) . . . . ?
C18 C13 C14 C15 2.7(9) . . . . ?
C19 C20 C21 C22 -0.9(9) . . . . ?
C20 P2 C25 C26 170.4(4) . . . . ?
C20 P2 C25 C30 -7.7(5) . . . . ?
C20 P2 C31 C32 94.4(5) . . . . ?
C20 P2 C31 C36 -80.3(5) . . . . ?
C20 C19 C24 C23 -0.3(9) . . . . ?
C20 C21 C22 C23 -0.1(9) . . . . ?
C21 C22 C23 C24 0.9(9) . . . . ?
C22 C23 C24 C19 -0.7(9) . . . . ?
C24 C19 C20 P2 -178.4(5) . . . . ?
C24 C19 C20 C21 1.1(9) . . . . ?
C25 P2 C20 C19 107.4(5) . . . . ?
C25 P2 C20 C21 -72.1(5) . . . . ?
C25 P2 C31 C32 -158.5(5) . . . . ?
C25 P2 C31 C36 26.8(5) . . . . ?
C25 C26 C27 C28 1.0(8) . . . . ?
C26 C25 C30 C29 -1.7(8) . . . . ?
C26 C27 C28 C29 -1.5(8) . . . . ?
C27 C28 C29 C30 0.4(9) . . . . ?
C28 C29 C30 C25 1.2(8) . . . . ?
C30 C25 C26 C27 0.6(8) . . . . ?
C31 P2 C20 C19 -146.6(5) . . . . ?
C31 P2 C20 C21 33.9(6) . . . . ?
C31 P2 C25 C26 63.5(5) . . . . ?
C31 P2 C25 C30 -114.6(5) . . . . ?
C31 C32 C33 C34 -1.8(10) . . . . ?
C32 C31 C36 C35 -1.1(9) . . . . ?
C32 C33 C34 C35 0.6(10) . . . . ?
C33 C34 C35 C36 0.4(10) . . . . ?
C34 C35 C36 C31 -0.1(9) . . . . ?
C36 C31 C32 C33 2.0(10) . . . . ?
C37 C38 C39 C40 1.6(10) . . . . ?
C38 P3 C43 C44 70.4(6) . . . . ?
C38 P3 C43 C48 -100.1(6) . . . . ?
C38 P3 C49 C50 162.9(5) . . . . ?
C38 P3 C49 C54 -25.2(6) . . . . ?
C38 C37 C42 C41 0.5(10) . . . . ?
C38 C39 C40 C41 -1.4(11) . . . . ?
C39 C40 C41 C42 0.8(11) . . . . ?
C40 C41 C42 C37 -0.4(10) . . . . ?
C42 C37 C38 P3 176.6(5) . . . . ?
C42 C37 C38 C39 -1.1(9) . . . . ?
C43 P3 C38 C37 -129.2(5) . . . . ?
C43 P3 C38 C39 48.4(6) . . . . ?
C43 P3 C49 C50 59.2(6) . . . . ?
C43 P3 C49 C54 -128.9(5) . . . . ?
C43 C44 C45 C46 -0.3(12) . . . . ?
C44 C43 C48 C47 2.6(10) . . . . ?
C44 C45 C46 C47 1.2(13) . . . . ?
C45 C46 C47 C48 -0.1(13) . . . . ?
C46 C47 C48 C43 -1.8(12) . . . . ?
C48 C43 C44 C45 -1.5(10) . . . . ?
C49 P3 C38 C37 122.6(5) . . . . ?
C49 P3 C38 C39 -59.8(6) . . . . ?
C49 P3 C43 C44 177.8(5) . . . . ?
C49 P3 C43 C48 7.3(6) . . . . ?
C49 C50 C51 C52 -0.5(10) . . . . ?
C50 C49 C54 C53 0.3(9) . . . . ?
C50 C51 C52 C53 -0.2(11) . . . . ?
C51 C52 C53 C54 1.0(11) . . . . ?
C52 C53 C54 C49 -1.1(10) . . . . ?
C54 C49 C50 C51 0.5(10) . . . . ?
C55 C56 C57 C58 -0.8(11) . . . . ?
C56 C55 C60 C59 -1.7(9) . . . . ?
C56 C55 B1 C61 92.2(7) . . . . ?
C56 C55 B1 C67 -30.7(8) . . . . ?
C56 C55 B1 C73 -149.4(5) . . . . ?
C56 C57 C58 C59 1.6(11) . . . . ?
C57 C58 C59 C60 -2.5(11) . . . . ?
C58 C59 C60 C55 2.7(11) . . . . ?
C60 C55 C56 C57 0.8(9) . . . . ?
C60 C55 B1 C61 -83.3(7) . . . . ?
C60 C55 B1 C67 153.8(6) . . . . ?
C60 C55 B1 C73 35.1(8) . . . . ?
C61 C62 C63 C64 3.0(10) . . . . ?
C62 C61 C66 C65 2.3(9) . . . . ?
C62 C61 B1 C55 175.1(5) . . . . ?
C62 C61 B1 C67 -62.7(7) . . . . ?
C62 C61 B1 C73 58.2(7) . . . . ?
C62 C63 C64 C65 -2.0(10) . . . . ?
C63 C64 C65 C66 1.4(10) . . . . ?
C64 C65 C66 C61 -1.6(10) . . . . ?
C66 C61 C62 C63 -3.0(9) . . . . ?
C66 C61 B1 C55 -3.8(8) . . . . ?
C66 C61 B1 C67 118.4(6) . . . . ?
C66 C61 B1 C73 -120.7(6) . . . . ?
C67 C68 C69 C70 -0.3(10) . . . . ?
C68 C67 C72 C71 -1.9(10) . . . . ?
C68 C67 B1 C55 -42.1(8) . . . . ?
C68 C67 B1 C61 -162.6(6) . . . . ?
C68 C67 B1 C73 75.9(7) . . . . ?
C68 C69 C70 C71 -0.9(11) . . . . ?
C69 C70 C71 C72 0.6(12) . . . . ?
C70 C71 C72 C67 0.9(11) . . . . ?
C72 C67 C68 C69 1.6(10) . . . . ?
C72 C67 B1 C55 141.5(6) . . . . ?
C72 C67 B1 C61 20.9(9) . . . . ?
C72 C67 B1 C73 -100.6(7) . . . . ?
C73 C74 C75 C76 0.1(9) . . . . ?
C74 C73 C78 C77 -0.3(9) . . . . ?
C74 C73 B1 C55 73.5(7) . . . . ?
C74 C73 B1 C61 -169.3(5) . . . . ?
C74 C73 B1 C67 -46.5(7) . . . . ?
C74 C75 C76 C77 -0.2(9) . . . . ?
C75 C76 C77 C78 0.1(9) . . . . ?
C76 C77 C78 C73 0.1(10) . . . . ?
C78 C73 C74 C75 0.1(9) . . . . ?
C78 C73 B1 C55 -102.1(6) . . . . ?
C78 C73 B1 C61 15.1(8) . . . . ?
C78 C73 B1 C67 137.9(6) . . . . ?
B1 C55 C56 C57 -175.1(6) . . . . ?
B1 C55 C60 C59 174.1(6) . . . . ?
B1 C61 C62 C63 178.1(6) . . . . ?
B1 C61 C66 C65 -178.8(6) . . . . ?
B1 C67 C68 C69 -175.2(6) . . . . ?
B1 C67 C72 C71 174.7(6) . . . . ?
B1 C73 C74 C75 -175.9(6) . . . . ?
B1 C73 C78 C77 175.7(6) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_y_sq
_database_code_depnum_ccdc_archive 'CCDC 1523982'
_audit_update_record             
;
2017-01-31 deposited with the CCDC.
2017-02-02 downloaded from the CCDC.
;
_audit_creation_date             2016-12-20
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C54 H42 Cl Ni P4, 2(C H Cl3), Cl'
_chemical_formula_sum            'C56 H44 Cl8 Ni P4'
_chemical_formula_weight         1183.10
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   16.6557(13)
_cell_length_b                   21.8350(18)
_cell_length_c                   33.334(3)
_cell_angle_alpha                90
_cell_angle_beta                 95.711(4)
_cell_angle_gamma                90
_cell_volume                     12062.5(16)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9778
_cell_measurement_temperature    110
_cell_measurement_theta_max      26.60
_cell_measurement_theta_min      2.23
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.816
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.5898
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.1068 before and 0.0605 after correction.
The Ratio of minimum to maximum transmission is 0.7913.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            blue
_exptl_crystal_colour_primary    blue
_exptl_crystal_density_diffrn    1.303
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             4832
_exptl_crystal_size_max          0.87
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.09
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0548
_diffrn_reflns_av_unetI/netI     0.0399
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_number            178111
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         26.797
_diffrn_reflns_theta_min         1.116
_diffrn_ambient_temperature      110
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                20921
_reflns_number_total             25685
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_refine_diff_density_max         2.141
_refine_diff_density_min         -1.558
_refine_diff_density_rms         0.100
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1243
_refine_ls_number_reflns         25685
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0743
_refine_ls_R_factor_gt           0.0597
_refine_ls_restrained_S_all      1.076
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0387P)²+52.0073P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1344
_refine_ls_wR_factor_ref         0.1414
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Ternary CH refined with riding coordinates:
 C111(H111), C112(H112), C109(H109), C110(H110)
2.b Aromatic/amide H refined with riding coordinates:
 C21(H21), C6(H6), C41(H41), C39(H39), C42(H42), C36(H36), C24(H24), C5(H5),
 C12(H12), C22(H22), C34(H34), C16(H16), C8(H8), C3(H3), C23(H23), C50(H50),
 C32(H32), C35(H35), C18(H18), C14(H14), C17(H17), C11(H11), C30(H30), C4(H4),
 C40(H40), C33(H33), C10(H10), C52(H52), C29(H29), C45(H45), C44(H44), C46(H46),
  C26(H26), C54(H54), C48(H48), C28(H28), C27(H27), C53(H53), C51(H51),
 C15(H15), C47(H47), C9(H9), C57(H57), C95(H95), C75(H75), C60(H60), C66(H66),
 C93(H93), C78(H78), C58(H58), C96(H96), C63(H63), C102(H102), C77(H77),
 C72(H72), C59(H59), C62(H62), C94(H94), C65(H65), C80(H80), C68(H68), C90(H90),
  C100(H100), C88(H88), C87(H87), C83(H83), C76(H76), C81(H81), C64(H64),
 C98(H98), C70(H70), C84(H84), C101(H101), C71(H71), C108(H108), C69(H69),
 C86(H86), C89(H89), C82(H82), C105(H105), C107(H107), C104(H104), C106(H106),
 C99(H99)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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 0.14329(3) 0.06187(2) 0.34192(2) 0.01170(10) Uani 1 1 d . . . . .
P1 P 0.15492(5) 0.11663(4) 0.29060(3) 0.01097(17) Uani 1 1 d . . . . .
P3 P 0.05742(5) 0.13275(4) 0.36244(3) 0.01304(18) Uani 1 1 d . . . . .
P4 P 0.27445(5) 0.07362(4) 0.35694(3) 0.01282(18) Uani 1 1 d . . . . .
Cl1 Cl 0.14384(5) 0.00495(4) 0.39730(3) 0.01973(18) Uani 1 1 d . . . . .
P2 P 0.08647(5) -0.00949(4) 0.29926(3) 0.01427(18) Uani 1 1 d . . . . .
C21 C 0.0087(2) 0.24909(16) 0.32905(11) 0.0164(7) Uani 1 1 d . . . . .
H21 H -0.0195 0.2556 0.3521 0.020 Uiso 1 1 calc R . . . .
C6 C 0.1140(2) 0.10567(18) 0.20571(11) 0.0175(7) Uani 1 1 d . . . . .
H6 H 0.1379 0.1447 0.2026 0.021 Uiso 1 1 calc R . . . .
C1 C 0.1165(2) 0.07877(16) 0.24370(10) 0.0138(7) Uani 1 1 d . . . . .
C38 C 0.3153(2) 0.11324(16) 0.31566(10) 0.0128(7) Uani 1 1 d . . . . .
C7 C 0.1375(2) -0.08354(17) 0.29928(11) 0.0183(7) Uani 1 1 d . . . . .
C41 C 0.3679(2) 0.17623(18) 0.25145(11) 0.0198(8) Uani 1 1 d . . . . .
H41 H 0.3864 0.1987 0.2298 0.024 Uiso 1 1 calc R . . . .
C19 C 0.0970(2) 0.18758(16) 0.29250(10) 0.0128(7) Uani 1 1 d . . . . .
C37 C 0.2595(2) 0.13583(16) 0.28531(11) 0.0137(7) Uani 1 1 d . . . . .
C49 C 0.3078(2) 0.11916(17) 0.40136(11) 0.0167(7) Uani 1 1 d . . . . .
C2 C 0.0836(2) 0.02095(16) 0.24821(11) 0.0161(7) Uani 1 1 d . . . . .
C13 C -0.0198(2) -0.02616(17) 0.30105(11) 0.0169(7) Uani 1 1 d . . . . .
C39 C 0.3976(2) 0.12083(17) 0.31310(11) 0.0176(7) Uani 1 1 d . . . . .
H39 H 0.4357 0.1042 0.3333 0.021 Uiso 1 1 calc R . . . .
C42 C 0.2862(2) 0.16770(17) 0.25291(11) 0.0179(7) Uani 1 1 d . . . . .
H42 H 0.2487 0.1833 0.2321 0.022 Uiso 1 1 calc R . . . .
C43 C 0.3334(2) 0.00331(17) 0.36090(12) 0.0184(7) Uani 1 1 d . . . . .
C36 C -0.1132(2) 0.14380(18) 0.36309(11) 0.0193(8) Uani 1 1 d . . . . .
H36 H -0.1092 0.1837 0.3520 0.023 Uiso 1 1 calc R . . . .
C24 C 0.0977(2) 0.23360(17) 0.26333(11) 0.0174(7) Uani 1 1 d . . . . .
H24 H 0.1296 0.2292 0.2414 0.021 Uiso 1 1 calc R . . . .
C31 C -0.0445(2) 0.10747(18) 0.37008(11) 0.0174(7) Uani 1 1 d . . . . .
C5 C 0.0764(2) 0.07544(18) 0.17249(11) 0.0187(8) Uani 1 1 d . . . . .
H5 H 0.0751 0.0935 0.1465 0.022 Uiso 1 1 calc R . . . .
C12 C 0.1509(2) -0.11498(18) 0.33550(12) 0.0250(9) Uani 1 1 d . . . . .
H12 H 0.1309 -0.0990 0.3591 0.030 Uiso 1 1 calc R . . . .
C22 C 0.0073(2) 0.29351(17) 0.29931(12) 0.0196(8) Uani 1 1 d . . . . .
H22 H -0.0240 0.3296 0.3013 0.024 Uiso 1 1 calc R . . . .
C34 C -0.1942(2) 0.0643(2) 0.38828(13) 0.0272(9) Uani 1 1 d . . . . .
H34 H -0.2450 0.0499 0.3949 0.033 Uiso 1 1 calc R . . . .
C16 C -0.1843(3) -0.0430(2) 0.30380(13) 0.0325(10) Uani 1 1 d . . . . .
H16 H -0.2405 -0.0486 0.3051 0.039 Uiso 1 1 calc R . . . .
C8 C 0.1668(3) -0.10760(19) 0.26490(12) 0.0257(9) Uani 1 1 d . . . . .
H8 H 0.1580 -0.0864 0.2400 0.031 Uiso 1 1 calc R . . . .
C3 C 0.0439(2) -0.00830(18) 0.21467(11) 0.0203(8) Uani 1 1 d . . . . .
H3 H 0.0190 -0.0469 0.2178 0.024 Uiso 1 1 calc R . . . .
C25 C 0.0885(2) 0.17410(17) 0.40877(11) 0.0182(7) Uani 1 1 d . . . . .
C23 C 0.0515(2) 0.28534(17) 0.26675(11) 0.0192(8) Uani 1 1 d . . . . .
H23 H 0.0500 0.3159 0.2464 0.023 Uiso 1 1 calc R . . . .
C20 C 0.0516(2) 0.19468(16) 0.32525(10) 0.0138(7) Uani 1 1 d . . . . .
C50 C 0.2878(2) 0.1011(2) 0.43902(11) 0.0256(9) Uani 1 1 d . . . . .
H50 H 0.2563 0.0653 0.4415 0.031 Uiso 1 1 calc R . . . .
C32 C -0.0524(2) 0.04877(18) 0.38566(12) 0.0223(8) Uani 1 1 d . . . . .
H32 H -0.0061 0.0233 0.3901 0.027 Uiso 1 1 calc R . . . .
C35 C -0.1879(2) 0.1218(2) 0.37228(12) 0.0246(9) Uani 1 1 d . . . . .
H35 H -0.2346 0.1468 0.3675 0.030 Uiso 1 1 calc R . . . .
C18 C -0.0742(2) 0.02098(18) 0.28998(11) 0.0209(8) Uani 1 1 d . . . . .
H18 H -0.0545 0.0592 0.2815 0.025 Uiso 1 1 calc R . . . .
C14 C -0.0492(3) -0.08200(19) 0.31337(13) 0.0258(9) Uani 1 1 d . . . . .
H14 H -0.0130 -0.1145 0.3210 0.031 Uiso 1 1 calc R . . . .
C17 C -0.1559(2) 0.0128(2) 0.29115(12) 0.0276(9) Uani 1 1 d . . . . .
H17 H -0.1925 0.0450 0.2834 0.033 Uiso 1 1 calc R . . . .
C11 C 0.1933(3) -0.16947(19) 0.33731(13) 0.0287(9) Uani 1 1 d . . . . .
H11 H 0.2023 -0.1907 0.3622 0.034 Uiso 1 1 calc R . . . .
C30 C 0.1448(3) 0.2209(2) 0.40837(12) 0.0267(9) Uani 1 1 d . . . . .
H30 H 0.1670 0.2310 0.3840 0.032 Uiso 1 1 calc R . . . .
C4 C 0.0403(2) 0.01808(18) 0.17711(11) 0.0213(8) Uani 1 1 d . . . . .
H4 H 0.0136 -0.0023 0.1544 0.026 Uiso 1 1 calc R . . . .
C40 C 0.4234(2) 0.15260(18) 0.28104(12) 0.0200(8) Uani 1 1 d . . . . .
H40 H 0.4794 0.1583 0.2793 0.024 Uiso 1 1 calc R . . . .
C33 C -0.1269(2) 0.0270(2) 0.39478(13) 0.0273(9) Uani 1 1 d . . . . .
H33 H -0.1316 -0.0131 0.4054 0.033 Uiso 1 1 calc R . . . .
C10 C 0.2224(3) -0.19328(19) 0.30347(14) 0.0313(10) Uani 1 1 d . . . . .
H10 H 0.2518 -0.2307 0.3051 0.038 Uiso 1 1 calc R . . . .
C52 C 0.3591(3) 0.1873(2) 0.46966(14) 0.0414(12) Uani 1 1 d . . . . .
H52 H 0.3769 0.2103 0.4930 0.050 Uiso 1 1 calc R . . . .
C29 C 0.1688(3) 0.2531(2) 0.44349(14) 0.0382(11) Uani 1 1 d . . . . .
H29 H 0.2063 0.2859 0.4431 0.046 Uiso 1 1 calc R . . . .
C45 C 0.3786(2) -0.08565(19) 0.32698(14) 0.0297(10) Uani 1 1 d . . . . .
H45 H 0.3801 -0.1090 0.3030 0.036 Uiso 1 1 calc R . . . .
C44 C 0.3360(2) -0.03155(19) 0.32618(13) 0.0237(8) Uani 1 1 d . . . . .
H44 H 0.3081 -0.0179 0.3016 0.028 Uiso 1 1 calc R . . . .
C46 C 0.4190(3) -0.1060(2) 0.36251(16) 0.0386(12) Uani 1 1 d . . . . .
H46 H 0.4476 -0.1436 0.3632 0.046 Uiso 1 1 calc R . . . .
C26 C 0.0591(3) 0.1587(2) 0.44471(12) 0.0308(10) Uani 1 1 d . . . . .
H26 H 0.0215 0.1260 0.4453 0.037 Uiso 1 1 calc R . . . .
C54 C 0.3531(2) 0.17227(19) 0.39848(12) 0.0246(9) Uani 1 1 d . . . . .
H54 H 0.3667 0.1855 0.3729 0.030 Uiso 1 1 calc R . . . .
C48 C 0.3743(3) -0.0174(2) 0.39636(14) 0.0367(11) Uani 1 1 d . . . . .
H48 H 0.3728 0.0055 0.4205 0.044 Uiso 1 1 calc R . . . .
C28 C 0.1376(3) 0.2371(3) 0.47902(14) 0.0471(13) Uani 1 1 d . . . . .
H28 H 0.1540 0.2590 0.5031 0.056 Uiso 1 1 calc R . . . .
C27 C 0.0833(3) 0.1900(3) 0.47970(14) 0.0425(12) Uani 1 1 d . . . . .
H27 H 0.0625 0.1791 0.5042 0.051 Uiso 1 1 calc R . . . .
C53 C 0.3785(3) 0.2060(2) 0.43250(13) 0.0354(11) Uani 1 1 d . . . . .
H53 H 0.4094 0.2421 0.4302 0.043 Uiso 1 1 calc R . . . .
C51 C 0.3135(3) 0.1350(2) 0.47300(13) 0.0346(11) Uani 1 1 d . . . . .
H51 H 0.2998 0.1222 0.4987 0.042 Uiso 1 1 calc R . . . .
C15 C -0.1320(3) -0.0900(2) 0.31438(14) 0.0333(10) Uani 1 1 d . . . . .
H15 H -0.1523 -0.1283 0.3225 0.040 Uiso 1 1 calc R . . . .
C47 C 0.4178(4) -0.0719(3) 0.39662(17) 0.0513(15) Uani 1 1 d . . . . .
H47 H 0.4470 -0.0854 0.4209 0.062 Uiso 1 1 calc R . . . .
C9 C 0.2090(3) -0.1627(2) 0.26709(14) 0.0321(10) Uani 1 1 d . . . . .
H9 H 0.2286 -0.1793 0.2436 0.039 Uiso 1 1 calc R . . . .
Ni2 Ni 0.39295(3) 0.56535(2) 0.34088(2) 0.01167(10) Uani 1 1 d . . . . .
P5 P 0.36089(5) 0.61763(4) 0.28849(3) 0.01107(17) Uani 1 1 d . . . . .
P8 P 0.26729(5) 0.57701(4) 0.35525(3) 0.01344(18) Uani 1 1 d . . . . .
P6 P 0.48559(5) 0.63767(4) 0.36030(3) 0.01268(18) Uani 1 1 d . . . . .
Cl3 Cl 0.41425(5) 0.51024(4) 0.39682(3) 0.01904(18) Uani 1 1 d . . . . .
P7 P 0.43572(5) 0.49240(4) 0.30029(3) 0.01395(18) Uani 1 1 d . . . . .
Cl14 Cl 0.43356(8) 0.67392(6) 0.58199(4) 0.0422(3) Uani 1 1 d . . . . .
Cl16 Cl 0.46973(8) 0.76043(7) 0.64639(5) 0.0572(4) Uani 1 1 d . . . . .
Cl13 Cl 0.07423(10) 0.70672(8) 0.56830(5) 0.0676(5) Uani 1 1 d . . . . .
Cl11 Cl 0.09526(12) 0.60614(8) 0.62479(6) 0.0745(5) Uani 1 1 d . . . . .
Cl12 Cl 0.21697(10) 0.63264(9) 0.57261(4) 0.0649(5) Uani 1 1 d . . . . .
Cl15 Cl 0.36727(13) 0.79663(9) 0.57611(5) 0.0846(7) Uani 1 1 d . . . . .
C57 C 0.5212(2) 0.75172(16) 0.32432(11) 0.0155(7) Uani 1 1 d . . . . .
H57 H 0.5584 0.7592 0.3473 0.019 Uiso 1 1 calc R . . . .
C91 C 0.2539(2) 0.63732(16) 0.28302(10) 0.0134(7) Uani 1 1 d . . . . .
C85 C 0.3851(2) 0.41815(17) 0.30089(11) 0.0191(8) Uani 1 1 d . . . . .
C74 C 0.4195(2) 0.52035(16) 0.24850(10) 0.0148(7) Uani 1 1 d . . . . .
C95 C 0.1330(2) 0.67773(17) 0.24838(11) 0.0194(8) Uani 1 1 d . . . . .
H95 H 0.1061 0.6996 0.2263 0.023 Uiso 1 1 calc R . . . .
C92 C 0.2106(2) 0.61549(16) 0.31364(11) 0.0145(7) Uani 1 1 d . . . . .
C61 C 0.5905(2) 0.61299(17) 0.36965(10) 0.0164(7) Uani 1 1 d . . . . .
C79 C 0.5429(2) 0.47516(17) 0.30354(11) 0.0173(7) Uani 1 1 d . . . . .
C75 C 0.4476(2) 0.49054(18) 0.21606(11) 0.0198(8) Uani 1 1 d . . . . .
H75 H 0.4753 0.4527 0.2201 0.024 Uiso 1 1 calc R . . . .
C60 C 0.4072(2) 0.73312(17) 0.25869(11) 0.0182(7) Uani 1 1 d . . . . .
H60 H 0.3673 0.7274 0.2366 0.022 Uiso 1 1 calc R . . . .
C55 C 0.4192(2) 0.68829(16) 0.28868(10) 0.0131(7) Uani 1 1 d . . . . .
C66 C 0.6565(2) 0.64783(18) 0.36093(11) 0.0190(8) Uani 1 1 d . . . . .
H66 H 0.6481 0.6868 0.3485 0.023 Uiso 1 1 calc R . . . .
C73 C 0.38135(19) 0.57712(16) 0.24273(10) 0.0122(7) Uani 1 1 d . . . . .
C97 C 0.2506(2) 0.62261(17) 0.39960(11) 0.0175(7) Uani 1 1 d . . . . .
C93 C 0.1272(2) 0.62407(18) 0.31050(11) 0.0193(8) Uani 1 1 d . . . . .
H93 H 0.0967 0.6081 0.3307 0.023 Uiso 1 1 calc R . . . .
C56 C 0.4774(2) 0.69701(16) 0.32148(10) 0.0132(7) Uani 1 1 d . . . . .
C78 C 0.3677(2) 0.60185(18) 0.20396(11) 0.0172(7) Uani 1 1 d . . . . .
H78 H 0.3405 0.6399 0.1998 0.021 Uiso 1 1 calc R . . . .
C58 C 0.5107(2) 0.79535(17) 0.29389(12) 0.0197(8) Uani 1 1 d . . . . .
H58 H 0.5424 0.8316 0.2954 0.024 Uiso 1 1 calc R . . . .
C96 C 0.2154(2) 0.66868(17) 0.25007(11) 0.0180(7) Uani 1 1 d . . . . .
H96 H 0.2451 0.6835 0.2292 0.022 Uiso 1 1 calc R . . . .
C63 C 0.6823(2) 0.5342(2) 0.39710(13) 0.0277(9) Uani 1 1 d . . . . .
H63 H 0.6910 0.4954 0.4098 0.033 Uiso 1 1 calc R . . . .
C102 C 0.2023(2) 0.67458(19) 0.39660(12) 0.0229(8) Uani 1 1 d . . . . .
H102 H 0.1778 0.6872 0.3710 0.027 Uiso 1 1 calc R . . . .
C77 C 0.3941(2) 0.57074(18) 0.17179(11) 0.0183(7) Uani 1 1 d . . . . .
H77 H 0.3839 0.5870 0.1453 0.022 Uiso 1 1 calc R . . . .
C72 C 0.5109(3) 0.6691(2) 0.44220(12) 0.0276(9) Uani 1 1 d . . . . .
H72 H 0.5501 0.6374 0.4444 0.033 Uiso 1 1 calc R . . . .
C67 C 0.4688(2) 0.68218(16) 0.40492(11) 0.0164(7) Uani 1 1 d . . . . .
C59 C 0.4535(2) 0.78553(17) 0.26127(11) 0.0192(8) Uani 1 1 d . . . . .
H59 H 0.4463 0.8153 0.2405 0.023 Uiso 1 1 calc R . . . .
C62 C 0.6045(2) 0.55565(18) 0.38746(12) 0.0218(8) Uani 1 1 d . . . . .
H62 H 0.5600 0.5309 0.3931 0.026 Uiso 1 1 calc R . . . .
C94 C 0.0888(2) 0.65540(18) 0.27836(11) 0.0195(8) Uani 1 1 d . . . . .
H94 H 0.0322 0.6618 0.2767 0.023 Uiso 1 1 calc R . . . .
C65 C 0.7347(2) 0.6261(2) 0.37019(12) 0.0257(9) Uani 1 1 d . . . . .
H65 H 0.7793 0.6503 0.3641 0.031 Uiso 1 1 calc R . . . .
C80 C 0.5760(3) 0.42016(19) 0.31854(13) 0.0262(9) Uani 1 1 d . . . . .
H80 H 0.5418 0.3889 0.3271 0.031 Uiso 1 1 calc R . . . .
C103 C 0.2114(2) 0.50604(18) 0.35871(12) 0.0205(8) Uani 1 1 d . . . . .
C68 C 0.4121(2) 0.72832(19) 0.40255(12) 0.0252(9) Uani 1 1 d . . . . .
H68 H 0.3821 0.7369 0.3774 0.030 Uiso 1 1 calc R . . . .
C90 C 0.3447(2) 0.39251(18) 0.26700(12) 0.0238(8) Uani 1 1 d . . . . .
H90 H 0.3441 0.4129 0.2418 0.029 Uiso 1 1 calc R . . . .
C100 C 0.2248(3) 0.6903(2) 0.46789(13) 0.0347(11) Uani 1 1 d . . . . .
H100 H 0.2152 0.7128 0.4913 0.042 Uiso 1 1 calc R . . . .
C88 C 0.3046(3) 0.30715(19) 0.30581(14) 0.0325(10) Uani 1 1 d . . . . .
H88 H 0.2768 0.2694 0.3076 0.039 Uiso 1 1 calc R . . . .
C87 C 0.3455(3) 0.33265(19) 0.33983(14) 0.0319(10) Uani 1 1 d . . . . .
H87 H 0.3464 0.3121 0.3650 0.038 Uiso 1 1 calc R . . . .
C83 C 0.6764(2) 0.5116(2) 0.29390(13) 0.0296(9) Uani 1 1 d . . . . .
H83 H 0.7107 0.5427 0.2854 0.035 Uiso 1 1 calc R . . . .
C76 C 0.4358(2) 0.51528(18) 0.17788(11) 0.0197(8) Uani 1 1 d . . . . .
H76 H 0.4558 0.4948 0.1558 0.024 Uiso 1 1 calc R . . . .
C81 C 0.6586(3) 0.4111(2) 0.32102(15) 0.0367(11) Uani 1 1 d . . . . .
H81 H 0.6811 0.3734 0.3311 0.044 Uiso 1 1 calc R . . . .
C64 C 0.7479(2) 0.5698(2) 0.38811(13) 0.0284(9) Uani 1 1 d . . . . .
H64 H 0.8013 0.5552 0.3944 0.034 Uiso 1 1 calc R . . . .
C98 C 0.2867(3) 0.6052(2) 0.43720(12) 0.0273(9) Uani 1 1 d . . . . .
H98 H 0.3200 0.5698 0.4397 0.033 Uiso 1 1 calc R . . . .
C70 C 0.4406(3) 0.7489(2) 0.47305(14) 0.0397(12) Uani 1 1 d . . . . .
H70 H 0.4313 0.7721 0.4963 0.048 Uiso 1 1 calc R . . . .
C111 C 0.1429(3) 0.6641(2) 0.59959(14) 0.0341(10) Uani 1 1 d . . . . .
H111 H 0.1699 0.6923 0.6203 0.041 Uiso 1 1 calc R . . . .
C84 C 0.5941(2) 0.52064(19) 0.29151(12) 0.0224(8) Uani 1 1 d . . . . .
H84 H 0.5720 0.5584 0.2815 0.027 Uiso 1 1 calc R . . . .
C101 C 0.1896(3) 0.7084(2) 0.43074(13) 0.0300(9) Uani 1 1 d . . . . .
H101 H 0.1565 0.7439 0.4284 0.036 Uiso 1 1 calc R . . . .
C71 C 0.4958(3) 0.7023(2) 0.47598(13) 0.0360(11) Uani 1 1 d . . . . .
H71 H 0.5239 0.6927 0.5014 0.043 Uiso 1 1 calc R . . . .
C108 C 0.1958(2) 0.4720(2) 0.32367(14) 0.0277(9) Uani 1 1 d . . . . .
H108 H 0.2134 0.4867 0.2992 0.033 Uiso 1 1 calc R . . . .
C69 C 0.3981(3) 0.7622(2) 0.43613(14) 0.0364(11) Uani 1 1 d . . . . .
H69 H 0.3596 0.7945 0.4340 0.044 Uiso 1 1 calc R . . . .
C86 C 0.3849(3) 0.38765(19) 0.33748(13) 0.0279(9) Uani 1 1 d . . . . .
H86 H 0.4122 0.4050 0.3611 0.033 Uiso 1 1 calc R . . . .
C89 C 0.3043(3) 0.33655(19) 0.26937(13) 0.0297(9) Uani 1 1 d . . . . .
H89 H 0.2767 0.3190 0.2458 0.036 Uiso 1 1 calc R . . . .
C82 C 0.7083(3) 0.4566(2) 0.30892(14) 0.0378(11) Uani 1 1 d . . . . .
H82 H 0.7650 0.4502 0.3109 0.045 Uiso 1 1 calc R . . . .
C105 C 0.1420(4) 0.4295(3) 0.39360(19) 0.075(2) Uani 1 1 d . . . . .
H105 H 0.1226 0.4149 0.4177 0.089 Uiso 1 1 calc R . . . .
C107 C 0.1550(3) 0.4172(2) 0.32387(16) 0.0365(11) Uani 1 1 d . . . . .
H107 H 0.1450 0.3941 0.2997 0.044 Uiso 1 1 calc R . . . .
C104 C 0.1839(4) 0.4851(3) 0.39391(15) 0.0520(16) Uani 1 1 d . . . . .
H104 H 0.1932 0.5081 0.4181 0.062 Uiso 1 1 calc R . . . .
C106 C 0.1289(3) 0.3960(2) 0.35902(18) 0.0499(15) Uani 1 1 d . . . . .
H106 H 0.1016 0.3578 0.3593 0.060 Uiso 1 1 calc R . . . .
C99 C 0.2744(3) 0.6393(2) 0.47120(13) 0.0333(10) Uani 1 1 d . . . . .
H99 H 0.3000 0.6275 0.4968 0.040 Uiso 1 1 calc R . . . .
C112 C 0.3954(3) 0.7361(2) 0.60811(13) 0.0345(10) Uani 1 1 d . . . . .
H112 H 0.3470 0.7220 0.6210 0.041 Uiso 1 1 calc R . . . .
Cl2 Cl 0.21322(6) 0.26071(4) 0.17609(3) 0.0229(2) Uani 1 1 d . . . . .
Cl4 Cl 0.25518(6) 0.73947(4) 0.67207(3) 0.0247(2) Uani 1 1 d . . . . .
Cl7 Cl -0.00250(7) 0.33442(6) 0.08779(4) 0.0403(3) Uani 1 1 d . . . . .
Cl5 Cl -0.01161(7) 0.24565(6) 0.15134(4) 0.0381(3) Uani 1 1 d . . . . .
Cl6 Cl 0.06135(10) 0.21253(7) 0.07949(4) 0.0559(4) Uani 1 1 d . . . . .
C109 C 0.0458(3) 0.2717(2) 0.11302(13) 0.0294(9) Uani 1 1 d . . . . .
H109 H 0.0996 0.2856 0.1258 0.035 Uiso 1 1 calc R . . . .
Cl9 Cl 0.21104(7) 0.36183(7) 0.07294(4) 0.0465(3) Uani 1 1 d . . . . .
Cl8 Cl 0.36349(10) 0.29810(8) 0.07754(4) 0.0641(5) Uani 1 1 d . . . . .
Cl10 Cl 0.34286(10) 0.39933(8) 0.12992(5) 0.0662(4) Uani 1 1 d . . . . .
C110 C 0.2952(3) 0.3366(2) 0.10435(13) 0.0283(9) Uani 1 1 d . . . . .
H110 H 0.2762 0.3079 0.1248 0.034 Uiso 1 1 calc R . . . .


_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 P1 2.1116(10) . ?
Ni1 P3 2.2592(10) . ?
Ni1 P4 2.2070(10) . ?
Ni1 Cl1 2.2248(10) . ?
Ni1 P2 2.2534(10) . ?
P1 C1 1.827(4) . ?
P1 C19 1.829(4) . ?
P1 C37 1.817(3) . ?
P3 C31 1.827(4) . ?
P3 C25 1.819(4) . ?
P3 C20 1.830(4) . ?
P4 C38 1.814(3) . ?
P4 C49 1.824(4) . ?
P4 C43 1.820(4) . ?
P2 C7 1.826(4) . ?
P2 C2 1.823(4) . ?
P2 C13 1.814(4) . ?
C21 H21 0.9500 . ?
C21 C22 1.385(5) . ?
C21 C20 1.399(5) . ?
C6 H6 0.9500 . ?
C6 C1 1.393(5) . ?
C6 C5 1.384(5) . ?
C1 C2 1.390(5) . ?
C38 C37 1.394(5) . ?
C38 C39 1.392(5) . ?
C7 C12 1.387(6) . ?
C7 C8 1.393(5) . ?
C41 H41 0.9500 . ?
C41 C42 1.379(5) . ?
C41 C40 1.382(5) . ?
C19 C24 1.399(5) . ?
C19 C20 1.397(5) . ?
C37 C42 1.395(5) . ?
C49 C50 1.388(5) . ?
C49 C54 1.392(5) . ?
C2 C3 1.396(5) . ?
C13 C18 1.396(5) . ?
C13 C14 1.391(5) . ?
C39 H39 0.9500 . ?
C39 C40 1.378(5) . ?
C42 H42 0.9500 . ?
C43 C44 1.389(6) . ?
C43 C48 1.381(6) . ?
C36 H36 0.9500 . ?
C36 C31 1.392(5) . ?
C36 C35 1.396(5) . ?
C24 H24 0.9500 . ?
C24 C23 1.378(5) . ?
C31 C32 1.394(5) . ?
C5 H5 0.9500 . ?
C5 C4 1.405(5) . ?
C12 H12 0.9500 . ?
C12 C11 1.381(6) . ?
C22 H22 0.9500 . ?
C22 C23 1.382(5) . ?
C34 H34 0.9500 . ?
C34 C35 1.373(6) . ?
C34 C33 1.385(6) . ?
C16 H16 0.9500 . ?
C16 C17 1.386(6) . ?
C16 C15 1.370(7) . ?
C8 H8 0.9500 . ?
C8 C9 1.392(6) . ?
C3 H3 0.9500 . ?
C3 C4 1.374(5) . ?
C25 C30 1.388(6) . ?
C25 C26 1.381(5) . ?
C23 H23 0.9500 . ?
C50 H50 0.9500 . ?
C50 C51 1.384(6) . ?
C32 H32 0.9500 . ?
C32 C33 1.391(5) . ?
C35 H35 0.9500 . ?
C18 H18 0.9500 . ?
C18 C17 1.378(5) . ?
C14 H14 0.9500 . ?
C14 C15 1.395(6) . ?
C17 H17 0.9500 . ?
C11 H11 0.9500 . ?
C11 C10 1.374(6) . ?
C30 H30 0.9500 . ?
C30 C29 1.390(6) . ?
C4 H4 0.9500 . ?
C40 H40 0.9500 . ?
C33 H33 0.9500 . ?
C10 H10 0.9500 . ?
C10 C9 1.383(7) . ?
C52 H52 0.9500 . ?
C52 C53 1.373(6) . ?
C52 C51 1.383(7) . ?
C29 H29 0.9500 . ?
C29 C28 1.384(7) . ?
C45 H45 0.9500 . ?
C45 C44 1.377(6) . ?
C45 C46 1.376(7) . ?
C44 H44 0.9500 . ?
C46 H46 0.9500 . ?
C46 C47 1.361(7) . ?
C26 H26 0.9500 . ?
C26 C27 1.378(6) . ?
C54 H54 0.9500 . ?
C54 C53 1.382(6) . ?
C48 H48 0.9500 . ?
C48 C47 1.393(6) . ?
C28 H28 0.9500 . ?
C28 C27 1.371(7) . ?
C27 H27 0.9500 . ?
C53 H53 0.9500 . ?
C51 H51 0.9500 . ?
C15 H15 0.9500 . ?
C47 H47 0.9500 . ?
C9 H9 0.9500 . ?
Ni2 P5 2.1101(10) . ?
Ni2 P8 2.2078(10) . ?
Ni2 P6 2.2571(10) . ?
Ni2 Cl3 2.2179(10) . ?
Ni2 P7 2.2511(10) . ?
P5 C91 1.824(3) . ?
P5 C55 1.823(4) . ?
P5 C73 1.824(3) . ?
P8 C92 1.805(4) . ?
P8 C97 1.826(4) . ?
P8 C103 1.817(4) . ?
P6 C61 1.826(4) . ?
P6 C56 1.827(4) . ?
P6 C67 1.821(4) . ?
P7 C85 1.828(4) . ?
P7 C74 1.826(4) . ?
P7 C79 1.817(4) . ?
Cl14 C112 1.766(5) . ?
Cl16 C112 1.768(5) . ?
Cl13 C111 1.740(5) . ?
Cl11 C111 1.752(5) . ?
Cl12 C111 1.738(5) . ?
Cl15 C112 1.733(5) . ?
C57 H57 0.9500 . ?
C57 C56 1.397(5) . ?
C57 C58 1.390(5) . ?
C91 C92 1.391(5) . ?
C91 C96 1.395(5) . ?
C85 C90 1.376(5) . ?
C85 C86 1.390(6) . ?
C74 C75 1.383(5) . ?
C74 C73 1.398(5) . ?
C95 H95 0.9500 . ?
C95 C96 1.382(5) . ?
C95 C94 1.387(5) . ?
C92 C93 1.396(5) . ?
C61 C66 1.391(5) . ?
C61 C62 1.395(5) . ?
C79 C80 1.393(5) . ?
C79 C84 1.394(5) . ?
C75 H75 0.9500 . ?
C75 C76 1.378(5) . ?
C60 H60 0.9500 . ?
C60 C55 1.399(5) . ?
C60 C59 1.378(5) . ?
C55 C56 1.400(5) . ?
C66 H66 0.9500 . ?
C66 C65 1.392(5) . ?
C73 C78 1.398(5) . ?
C97 C102 1.389(5) . ?
C97 C98 1.388(5) . ?
C93 H93 0.9500 . ?
C93 C94 1.374(5) . ?
C78 H78 0.9500 . ?
C78 C77 1.377(5) . ?
C58 H58 0.9500 . ?
C58 C59 1.389(5) . ?
C96 H96 0.9500 . ?
C63 H63 0.9500 . ?
C63 C62 1.385(5) . ?
C63 C64 1.397(6) . ?
C102 H102 0.9500 . ?
C102 C101 1.390(6) . ?
C77 H77 0.9500 . ?
C77 C76 1.401(5) . ?
C72 H72 0.9500 . ?
C72 C67 1.394(5) . ?
C72 C71 1.383(6) . ?
C67 C68 1.378(6) . ?
C59 H59 0.9500 . ?
C62 H62 0.9500 . ?
C94 H94 0.9500 . ?
C65 H65 0.9500 . ?
C65 C64 1.374(6) . ?
C80 H80 0.9500 . ?
C80 C81 1.385(6) . ?
C103 C108 1.387(6) . ?
C103 C104 1.380(6) . ?
C68 H68 0.9500 . ?
C68 C69 1.381(6) . ?
C90 H90 0.9500 . ?
C90 C89 1.401(6) . ?
C100 H100 0.9500 . ?
C100 C101 1.375(6) . ?
C100 C99 1.385(6) . ?
C88 H88 0.9500 . ?
C88 C87 1.381(6) . ?
C88 C89 1.374(6) . ?
C87 H87 0.9500 . ?
C87 C86 1.374(6) . ?
C83 H83 0.9500 . ?
C83 C84 1.379(5) . ?
C83 C82 1.387(7) . ?
C76 H76 0.9500 . ?
C81 H81 0.9500 . ?
C81 C82 1.379(7) . ?
C64 H64 0.9500 . ?
C98 H98 0.9500 . ?
C98 C99 1.387(6) . ?
C70 H70 0.9500 . ?
C70 C71 1.368(7) . ?
C70 C69 1.388(7) . ?
C111 H111 1.0000 . ?
C84 H84 0.9500 . ?
C101 H101 0.9500 . ?
C71 H71 0.9500 . ?
C108 H108 0.9500 . ?
C108 C107 1.377(6) . ?
C69 H69 0.9500 . ?
C86 H86 0.9500 . ?
C89 H89 0.9500 . ?
C82 H82 0.9500 . ?
C105 H105 0.9500 . ?
C105 C104 1.399(7) . ?
C105 C106 1.364(9) . ?
C107 H107 0.9500 . ?
C107 C106 1.370(8) . ?
C104 H104 0.9500 . ?
C106 H106 0.9500 . ?
C99 H99 0.9500 . ?
C112 H112 1.0000 . ?
Cl7 C109 1.759(5) . ?
Cl5 C109 1.764(4) . ?
Cl6 C109 1.745(5) . ?
C109 H109 1.0000 . ?
Cl9 C110 1.753(4) . ?
Cl8 C110 1.732(4) . ?
Cl10 C110 1.760(5) . ?
C110 H110 1.0000 . ?

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
P1 Ni1 P3 88.24(4) . . ?
P1 Ni1 P4 87.11(4) . . ?
P1 Ni1 Cl1 174.49(4) . . ?
P1 Ni1 P2 86.96(4) . . ?
P4 Ni1 P3 119.59(4) . . ?
P4 Ni1 Cl1 87.39(4) . . ?
P4 Ni1 P2 124.59(4) . . ?
Cl1 Ni1 P3 94.70(4) . . ?
Cl1 Ni1 P2 95.98(4) . . ?
P2 Ni1 P3 115.22(4) . . ?
C1 P1 Ni1 112.61(12) . . ?
C1 P1 C19 105.77(15) . . ?
C19 P1 Ni1 111.13(11) . . ?
C37 P1 Ni1 112.04(12) . . ?
C37 P1 C1 106.20(16) . . ?
C37 P1 C19 108.76(16) . . ?
C31 P3 Ni1 117.42(13) . . ?
C31 P3 C20 109.30(16) . . ?
C25 P3 Ni1 117.50(12) . . ?
C25 P3 C31 102.81(17) . . ?
C25 P3 C20 101.51(16) . . ?
C20 P3 Ni1 107.05(12) . . ?
C38 P4 Ni1 108.70(11) . . ?
C38 P4 C49 104.41(16) . . ?
C38 P4 C43 102.54(16) . . ?
C49 P4 Ni1 117.54(12) . . ?
C43 P4 Ni1 115.64(12) . . ?
C43 P4 C49 106.42(17) . . ?
C7 P2 Ni1 116.46(13) . . ?
C2 P2 Ni1 107.90(12) . . ?
C2 P2 C7 107.00(17) . . ?
C13 P2 Ni1 117.89(12) . . ?
C13 P2 C7 106.14(17) . . ?
C13 P2 C2 99.71(16) . . ?
C22 C21 H21 119.9 . . ?
C22 C21 C20 120.2(3) . . ?
C20 C21 H21 119.9 . . ?
C1 C6 H6 120.1 . . ?
C5 C6 H6 120.1 . . ?
C5 C6 C1 119.8(3) . . ?
C6 C1 P1 124.3(3) . . ?
C2 C1 P1 115.3(3) . . ?
C2 C1 C6 120.3(3) . . ?
C37 C38 P4 116.5(2) . . ?
C39 C38 P4 123.3(3) . . ?
C39 C38 C37 120.2(3) . . ?
C12 C7 P2 118.2(3) . . ?
C12 C7 C8 119.3(4) . . ?
C8 C7 P2 122.3(3) . . ?
C42 C41 H41 119.5 . . ?
C42 C41 C40 121.0(3) . . ?
C40 C41 H41 119.5 . . ?
C24 C19 P1 122.9(3) . . ?
C20 C19 P1 116.7(3) . . ?
C20 C19 C24 120.4(3) . . ?
C38 C37 P1 115.1(3) . . ?
C38 C37 C42 119.8(3) . . ?
C42 C37 P1 125.0(3) . . ?
C50 C49 P4 119.9(3) . . ?
C50 C49 C54 118.7(3) . . ?
C54 C49 P4 121.4(3) . . ?
C1 C2 P2 117.2(3) . . ?
C1 C2 C3 119.3(3) . . ?
C3 C2 P2 123.2(3) . . ?
C18 C13 P2 116.9(3) . . ?
C14 C13 P2 123.9(3) . . ?
C14 C13 C18 119.1(3) . . ?
C38 C39 H39 120.3 . . ?
C40 C39 C38 119.5(3) . . ?
C40 C39 H39 120.3 . . ?
C41 C42 C37 119.2(3) . . ?
C41 C42 H42 120.4 . . ?
C37 C42 H42 120.4 . . ?
C44 C43 P4 117.6(3) . . ?
C48 C43 P4 123.7(3) . . ?
C48 C43 C44 118.7(4) . . ?
C31 C36 H36 119.9 . . ?
C31 C36 C35 120.2(4) . . ?
C35 C36 H36 119.9 . . ?
C19 C24 H24 120.4 . . ?
C23 C24 C19 119.2(3) . . ?
C23 C24 H24 120.4 . . ?
C36 C31 P3 124.3(3) . . ?
C36 C31 C32 118.7(3) . . ?
C32 C31 P3 116.9(3) . . ?
C6 C5 H5 119.9 . . ?
C6 C5 C4 120.1(3) . . ?
C4 C5 H5 119.9 . . ?
C7 C12 H12 119.9 . . ?
C11 C12 C7 120.1(4) . . ?
C11 C12 H12 119.9 . . ?
C21 C22 H22 120.0 . . ?
C23 C22 C21 119.9(3) . . ?
C23 C22 H22 120.0 . . ?
C35 C34 H34 119.8 . . ?
C35 C34 C33 120.5(4) . . ?
C33 C34 H34 119.8 . . ?
C17 C16 H16 119.7 . . ?
C15 C16 H16 119.7 . . ?
C15 C16 C17 120.6(4) . . ?
C7 C8 H8 120.0 . . ?
C9 C8 C7 120.0(4) . . ?
C9 C8 H8 120.0 . . ?
C2 C3 H3 119.6 . . ?
C4 C3 C2 120.8(4) . . ?
C4 C3 H3 119.6 . . ?
C30 C25 P3 119.5(3) . . ?
C26 C25 P3 121.3(3) . . ?
C26 C25 C30 119.1(4) . . ?
C24 C23 C22 121.1(3) . . ?
C24 C23 H23 119.5 . . ?
C22 C23 H23 119.5 . . ?
C21 C20 P3 124.0(3) . . ?
C19 C20 P3 116.8(3) . . ?
C19 C20 C21 119.1(3) . . ?
C49 C50 H50 119.8 . . ?
C51 C50 C49 120.4(4) . . ?
C51 C50 H50 119.8 . . ?
C31 C32 H32 119.5 . . ?
C33 C32 C31 120.9(4) . . ?
C33 C32 H32 119.5 . . ?
C36 C35 H35 119.9 . . ?
C34 C35 C36 120.2(4) . . ?
C34 C35 H35 119.9 . . ?
C13 C18 H18 119.6 . . ?
C17 C18 C13 120.9(4) . . ?
C17 C18 H18 119.6 . . ?
C13 C14 H14 120.2 . . ?
C13 C14 C15 119.6(4) . . ?
C15 C14 H14 120.2 . . ?
C16 C17 H17 120.3 . . ?
C18 C17 C16 119.4(4) . . ?
C18 C17 H17 120.3 . . ?
C12 C11 H11 119.6 . . ?
C10 C11 C12 120.7(4) . . ?
C10 C11 H11 119.6 . . ?
C25 C30 H30 119.9 . . ?
C25 C30 C29 120.2(4) . . ?
C29 C30 H30 119.9 . . ?
C5 C4 H4 120.2 . . ?
C3 C4 C5 119.6(3) . . ?
C3 C4 H4 120.2 . . ?
C41 C40 H40 119.9 . . ?
C39 C40 C41 120.3(3) . . ?
C39 C40 H40 119.9 . . ?
C34 C33 C32 119.4(4) . . ?
C34 C33 H33 120.3 . . ?
C32 C33 H33 120.3 . . ?
C11 C10 H10 120.1 . . ?
C11 C10 C9 119.9(4) . . ?
C9 C10 H10 120.1 . . ?
C53 C52 H52 120.1 . . ?
C53 C52 C51 119.9(4) . . ?
C51 C52 H52 120.1 . . ?
C30 C29 H29 120.3 . . ?
C28 C29 C30 119.5(5) . . ?
C28 C29 H29 120.3 . . ?
C44 C45 H45 120.0 . . ?
C46 C45 H45 120.0 . . ?
C46 C45 C44 120.0(4) . . ?
C43 C44 H44 119.6 . . ?
C45 C44 C43 120.9(4) . . ?
C45 C44 H44 119.6 . . ?
C45 C46 H46 120.1 . . ?
C47 C46 C45 119.8(4) . . ?
C47 C46 H46 120.1 . . ?
C25 C26 H26 119.6 . . ?
C27 C26 C25 120.9(4) . . ?
C27 C26 H26 119.6 . . ?
C49 C54 H54 119.7 . . ?
C53 C54 C49 120.7(4) . . ?
C53 C54 H54 119.7 . . ?
C43 C48 H48 120.1 . . ?
C43 C48 C47 119.8(4) . . ?
C47 C48 H48 120.1 . . ?
C29 C28 H28 119.7 . . ?
C27 C28 C29 120.5(4) . . ?
C27 C28 H28 119.7 . . ?
C26 C27 H27 120.1 . . ?
C28 C27 C26 119.8(4) . . ?
C28 C27 H27 120.1 . . ?
C52 C53 C54 120.2(4) . . ?
C52 C53 H53 119.9 . . ?
C54 C53 H53 119.9 . . ?
C50 C51 H51 119.9 . . ?
C52 C51 C50 120.2(4) . . ?
C52 C51 H51 119.9 . . ?
C16 C15 C14 120.3(4) . . ?
C16 C15 H15 119.8 . . ?
C14 C15 H15 119.8 . . ?
C46 C47 C48 120.8(5) . . ?
C46 C47 H47 119.6 . . ?
C48 C47 H47 119.6 . . ?
C8 C9 H9 120.0 . . ?
C10 C9 C8 120.0(4) . . ?
C10 C9 H9 120.0 . . ?
P5 Ni2 P8 87.13(4) . . ?
P5 Ni2 P6 88.18(4) . . ?
P5 Ni2 Cl3 174.53(4) . . ?
P5 Ni2 P7 87.39(4) . . ?
P8 Ni2 P6 119.53(4) . . ?
P8 Ni2 Cl3 87.48(4) . . ?
P8 Ni2 P7 125.14(4) . . ?
Cl3 Ni2 P6 95.21(4) . . ?
Cl3 Ni2 P7 95.04(4) . . ?
P7 Ni2 P6 114.79(4) . . ?
C91 P5 Ni2 112.00(12) . . ?
C55 P5 Ni2 111.36(12) . . ?
C55 P5 C91 108.40(16) . . ?
C55 P5 C73 105.63(16) . . ?
C73 P5 Ni2 112.13(11) . . ?
C73 P5 C91 107.00(15) . . ?
C92 P8 Ni2 108.73(12) . . ?
C92 P8 C97 104.97(17) . . ?
C92 P8 C103 102.35(17) . . ?
C97 P8 Ni2 117.53(12) . . ?
C103 P8 Ni2 114.70(13) . . ?
C103 P8 C97 107.07(18) . . ?
C61 P6 Ni2 117.25(13) . . ?
C61 P6 C56 109.44(16) . . ?
C56 P6 Ni2 107.01(12) . . ?
C67 P6 Ni2 116.84(12) . . ?
C67 P6 C61 103.89(17) . . ?
C67 P6 C56 101.16(16) . . ?
C85 P7 Ni2 116.57(13) . . ?
C74 P7 Ni2 107.82(12) . . ?
C74 P7 C85 106.37(17) . . ?
C79 P7 Ni2 118.59(12) . . ?
C79 P7 C85 105.46(17) . . ?
C79 P7 C74 100.24(17) . . ?
C56 C57 H57 119.7 . . ?
C58 C57 H57 119.7 . . ?
C58 C57 C56 120.7(3) . . ?
C92 C91 P5 114.7(3) . . ?
C92 C91 C96 120.9(3) . . ?
C96 C91 P5 124.3(3) . . ?
C90 C85 P7 122.7(3) . . ?
C90 C85 C86 118.8(4) . . ?
C86 C85 P7 118.4(3) . . ?
C75 C74 P7 123.5(3) . . ?
C75 C74 C73 119.6(3) . . ?
C73 C74 P7 116.7(3) . . ?
C96 C95 H95 119.5 . . ?
C96 C95 C94 121.0(3) . . ?
C94 C95 H95 119.5 . . ?
C91 C92 P8 117.0(3) . . ?
C91 C92 C93 118.9(3) . . ?
C93 C92 P8 124.1(3) . . ?
C66 C61 P6 124.5(3) . . ?
C66 C61 C62 118.5(3) . . ?
C62 C61 P6 117.0(3) . . ?
C80 C79 P7 123.5(3) . . ?
C80 C79 C84 119.1(3) . . ?
C84 C79 P7 117.4(3) . . ?
C74 C75 H75 119.7 . . ?
C76 C75 C74 120.6(4) . . ?
C76 C75 H75 119.7 . . ?
C55 C60 H60 120.1 . . ?
C59 C60 H60 120.1 . . ?
C59 C60 C55 119.8(3) . . ?
C60 C55 P5 123.5(3) . . ?
C60 C55 C56 120.1(3) . . ?
C56 C55 P5 116.4(3) . . ?
C61 C66 H66 119.7 . . ?
C61 C66 C65 120.6(4) . . ?
C65 C66 H66 119.7 . . ?
C74 C73 P5 115.8(3) . . ?
C74 C73 C78 120.0(3) . . ?
C78 C73 P5 124.0(3) . . ?
C102 C97 P8 121.4(3) . . ?
C98 C97 P8 119.7(3) . . ?
C98 C97 C102 118.9(4) . . ?
C92 C93 H93 119.8 . . ?
C94 C93 C92 120.5(3) . . ?
C94 C93 H93 119.8 . . ?
C57 C56 P6 123.8(3) . . ?
C57 C56 C55 119.0(3) . . ?
C55 C56 P6 117.0(3) . . ?
C73 C78 H78 120.2 . . ?
C77 C78 C73 119.6(3) . . ?
C77 C78 H78 120.2 . . ?
C57 C58 H58 120.3 . . ?
C59 C58 C57 119.5(3) . . ?
C59 C58 H58 120.3 . . ?
C91 C96 H96 120.7 . . ?
C95 C96 C91 118.7(3) . . ?
C95 C96 H96 120.7 . . ?
C62 C63 H63 120.2 . . ?
C62 C63 C64 119.6(4) . . ?
C64 C63 H63 120.2 . . ?
C97 C102 H102 119.7 . . ?
C97 C102 C101 120.6(4) . . ?
C101 C102 H102 119.7 . . ?
C78 C77 H77 119.8 . . ?
C78 C77 C76 120.3(3) . . ?
C76 C77 H77 119.8 . . ?
C67 C72 H72 119.9 . . ?
C71 C72 H72 119.9 . . ?
C71 C72 C67 120.1(4) . . ?
C72 C67 P6 121.0(3) . . ?
C68 C67 P6 120.2(3) . . ?
C68 C67 C72 118.8(4) . . ?
C60 C59 C58 120.9(3) . . ?
C60 C59 H59 119.6 . . ?
C58 C59 H59 119.6 . . ?
C61 C62 H62 119.5 . . ?
C63 C62 C61 121.1(4) . . ?
C63 C62 H62 119.5 . . ?
C95 C94 H94 120.0 . . ?
C93 C94 C95 119.9(3) . . ?
C93 C94 H94 120.0 . . ?
C66 C65 H65 119.8 . . ?
C64 C65 C66 120.4(4) . . ?
C64 C65 H65 119.8 . . ?
C79 C80 H80 120.0 . . ?
C81 C80 C79 120.0(4) . . ?
C81 C80 H80 120.0 . . ?
C108 C103 P8 117.3(3) . . ?
C104 C103 P8 123.5(3) . . ?
C104 C103 C108 119.2(4) . . ?
C67 C68 H68 119.5 . . ?
C67 C68 C69 121.0(4) . . ?
C69 C68 H68 119.5 . . ?
C85 C90 H90 119.7 . . ?
C85 C90 C89 120.5(4) . . ?
C89 C90 H90 119.7 . . ?
C101 C100 H100 120.0 . . ?
C101 C100 C99 120.1(4) . . ?
C99 C100 H100 120.0 . . ?
C87 C88 H88 120.1 . . ?
C89 C88 H88 120.1 . . ?
C89 C88 C87 119.7(4) . . ?
C88 C87 H87 119.8 . . ?
C86 C87 C88 120.3(4) . . ?
C86 C87 H87 119.8 . . ?
C84 C83 H83 120.4 . . ?
C84 C83 C82 119.2(4) . . ?
C82 C83 H83 120.4 . . ?
C75 C76 C77 119.7(3) . . ?
C75 C76 H76 120.1 . . ?
C77 C76 H76 120.1 . . ?
C80 C81 H81 120.0 . . ?
C82 C81 C80 120.1(4) . . ?
C82 C81 H81 120.0 . . ?
C63 C64 H64 120.1 . . ?
C65 C64 C63 119.8(4) . . ?
C65 C64 H64 120.1 . . ?
C97 C98 H98 119.8 . . ?
C99 C98 C97 120.4(4) . . ?
C99 C98 H98 119.8 . . ?
C71 C70 H70 120.0 . . ?
C71 C70 C69 119.9(4) . . ?
C69 C70 H70 120.0 . . ?
Cl13 C111 Cl11 111.8(3) . . ?
Cl13 C111 H111 107.9 . . ?
Cl11 C111 H111 107.9 . . ?
Cl12 C111 Cl13 111.1(3) . . ?
Cl12 C111 Cl11 110.0(3) . . ?
Cl12 C111 H111 107.9 . . ?
C79 C84 H84 119.5 . . ?
C83 C84 C79 121.0(4) . . ?
C83 C84 H84 119.5 . . ?
C102 C101 H101 120.0 . . ?
C100 C101 C102 119.9(4) . . ?
C100 C101 H101 120.0 . . ?
C72 C71 H71 119.8 . . ?
C70 C71 C72 120.5(4) . . ?
C70 C71 H71 119.8 . . ?
C103 C108 H108 119.5 . . ?
C107 C108 C103 120.9(4) . . ?
C107 C108 H108 119.5 . . ?
C68 C69 C70 119.6(5) . . ?
C68 C69 H69 120.2 . . ?
C70 C69 H69 120.2 . . ?
C85 C86 H86 119.6 . . ?
C87 C86 C85 120.8(4) . . ?
C87 C86 H86 119.6 . . ?
C90 C89 H89 120.1 . . ?
C88 C89 C90 119.8(4) . . ?
C88 C89 H89 120.1 . . ?
C83 C82 H82 119.7 . . ?
C81 C82 C83 120.7(4) . . ?
C81 C82 H82 119.7 . . ?
C104 C105 H105 119.7 . . ?
C106 C105 H105 119.7 . . ?
C106 C105 C104 120.6(5) . . ?
C108 C107 H107 120.1 . . ?
C106 C107 C108 119.7(5) . . ?
C106 C107 H107 120.1 . . ?
C103 C104 C105 119.3(5) . . ?
C103 C104 H104 120.4 . . ?
C105 C104 H104 120.4 . . ?
C105 C106 C107 120.3(5) . . ?
C105 C106 H106 119.9 . . ?
C107 C106 H106 119.9 . . ?
C100 C99 C98 120.1(4) . . ?
C100 C99 H99 120.0 . . ?
C98 C99 H99 120.0 . . ?
Cl14 C112 Cl16 109.0(3) . . ?
Cl14 C112 H112 108.6 . . ?
Cl16 C112 H112 108.6 . . ?
Cl15 C112 Cl14 111.8(2) . . ?
Cl15 C112 Cl16 110.0(3) . . ?
Cl15 C112 H112 108.6 . . ?
Cl7 C109 Cl5 110.0(2) . . ?
Cl7 C109 H109 108.4 . . ?
Cl5 C109 H109 108.4 . . ?
Cl6 C109 Cl7 111.1(2) . . ?
Cl6 C109 Cl5 110.5(3) . . ?
Cl6 C109 H109 108.4 . . ?
Cl9 C110 Cl10 109.9(2) . . ?
Cl9 C110 H110 108.4 . . ?
Cl8 C110 Cl9 111.8(2) . . ?
Cl8 C110 Cl10 109.9(2) . . ?
Cl8 C110 H110 108.4 . . ?
Cl10 C110 H110 108.4 . . ?

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
Ni1 P1 C1 C6 177.3(3) . . . . ?
Ni1 P1 C1 C2 1.6(3) . . . . ?
Ni1 P1 C19 C24 176.5(3) . . . . ?
Ni1 P1 C19 C20 -2.8(3) . . . . ?
Ni1 P1 C37 C38 -1.3(3) . . . . ?
Ni1 P1 C37 C42 175.2(3) . . . . ?
Ni1 P3 C31 C36 -146.9(3) . . . . ?
Ni1 P3 C31 C32 36.1(3) . . . . ?
Ni1 P3 C25 C30 77.0(3) . . . . ?
Ni1 P3 C25 C26 -101.1(3) . . . . ?
Ni1 P3 C20 C21 -175.3(3) . . . . ?
Ni1 P3 C20 C19 1.0(3) . . . . ?
Ni1 P4 C38 C37 7.8(3) . . . . ?
Ni1 P4 C38 C39 -171.3(3) . . . . ?
Ni1 P4 C49 C50 60.4(3) . . . . ?
Ni1 P4 C49 C54 -119.4(3) . . . . ?
Ni1 P4 C43 C44 64.8(3) . . . . ?
Ni1 P4 C43 C48 -114.4(4) . . . . ?
Ni1 P2 C7 C12 56.2(3) . . . . ?
Ni1 P2 C7 C8 -120.3(3) . . . . ?
Ni1 P2 C2 C1 1.5(3) . . . . ?
Ni1 P2 C2 C3 -172.4(3) . . . . ?
Ni1 P2 C13 C18 64.9(3) . . . . ?
Ni1 P2 C13 C14 -113.9(3) . . . . ?
P1 C1 C2 P2 -2.0(4) . . . . ?
P1 C1 C2 C3 172.2(3) . . . . ?
P1 C19 C24 C23 179.2(3) . . . . ?
P1 C19 C20 P3 1.1(4) . . . . ?
P1 C19 C20 C21 177.5(3) . . . . ?
P1 C37 C42 C41 -176.3(3) . . . . ?
P3 C31 C32 C33 176.0(3) . . . . ?
P3 C25 C30 C29 179.6(3) . . . . ?
P3 C25 C26 C27 179.6(4) . . . . ?
P4 C38 C37 P1 -4.3(4) . . . . ?
P4 C38 C37 C42 179.0(3) . . . . ?
P4 C38 C39 C40 -178.7(3) . . . . ?
P4 C49 C50 C51 179.3(3) . . . . ?
P4 C49 C54 C53 -179.4(4) . . . . ?
P4 C43 C44 C45 -179.2(3) . . . . ?
P4 C43 C48 C47 179.8(4) . . . . ?
P2 C7 C12 C11 -176.4(3) . . . . ?
P2 C7 C8 C9 176.6(3) . . . . ?
P2 C2 C3 C4 176.9(3) . . . . ?
P2 C13 C18 C17 -178.8(3) . . . . ?
P2 C13 C14 C15 178.9(3) . . . . ?
C21 C22 C23 C24 -0.4(6) . . . . ?
C6 C1 C2 P2 -177.9(3) . . . . ?
C6 C1 C2 C3 -3.7(5) . . . . ?
C6 C5 C4 C3 -1.3(6) . . . . ?
C1 P1 C19 C24 -61.0(3) . . . . ?
C1 P1 C19 C20 119.7(3) . . . . ?
C1 P1 C37 C38 -124.6(3) . . . . ?
C1 P1 C37 C42 51.9(4) . . . . ?
C1 C6 C5 C4 0.6(5) . . . . ?
C1 C2 C3 C4 3.1(6) . . . . ?
C38 P4 C49 C50 -179.1(3) . . . . ?
C38 P4 C49 C54 1.1(4) . . . . ?
C38 P4 C43 C44 -53.3(3) . . . . ?
C38 P4 C43 C48 127.5(4) . . . . ?
C38 C37 C42 C41 0.1(5) . . . . ?
C38 C39 C40 C41 -0.6(6) . . . . ?
C7 P2 C2 C1 -124.5(3) . . . . ?
C7 P2 C2 C3 61.6(3) . . . . ?
C7 P2 C13 C18 -162.4(3) . . . . ?
C7 P2 C13 C14 18.8(4) . . . . ?
C7 C12 C11 C10 -0.1(6) . . . . ?
C7 C8 C9 C10 -0.6(7) . . . . ?
C19 P1 C1 C6 55.8(3) . . . . ?
C19 P1 C1 C2 -119.9(3) . . . . ?
C19 P1 C37 C38 122.0(3) . . . . ?
C19 P1 C37 C42 -61.5(4) . . . . ?
C19 C24 C23 C22 2.7(5) . . . . ?
C37 P1 C1 C6 -59.7(3) . . . . ?
C37 P1 C1 C2 124.6(3) . . . . ?
C37 P1 C19 C24 52.7(3) . . . . ?
C37 P1 C19 C20 -126.6(3) . . . . ?
C37 C38 C39 C40 2.2(5) . . . . ?
C49 P4 C38 C37 -118.4(3) . . . . ?
C49 P4 C38 C39 62.5(3) . . . . ?
C49 P4 C43 C44 -162.7(3) . . . . ?
C49 P4 C43 C48 18.2(4) . . . . ?
C49 C50 C51 C52 0.3(7) . . . . ?
C49 C54 C53 C52 -0.1(7) . . . . ?
C2 P2 C7 C12 176.9(3) . . . . ?
C2 P2 C7 C8 0.4(4) . . . . ?
C2 P2 C13 C18 -51.4(3) . . . . ?
C2 P2 C13 C14 129.8(3) . . . . ?
C2 C3 C4 C5 -0.6(6) . . . . ?
C13 P2 C7 C12 -77.3(3) . . . . ?
C13 P2 C7 C8 106.2(3) . . . . ?
C13 P2 C2 C1 125.2(3) . . . . ?
C13 P2 C2 C3 -48.8(3) . . . . ?
C13 C18 C17 C16 0.5(6) . . . . ?
C13 C14 C15 C16 -0.8(7) . . . . ?
C39 C38 C37 P1 174.8(3) . . . . ?
C39 C38 C37 C42 -1.9(5) . . . . ?
C42 C41 C40 C39 -1.2(6) . . . . ?
C43 P4 C38 C37 130.7(3) . . . . ?
C43 P4 C38 C39 -48.4(3) . . . . ?
C43 P4 C49 C50 -71.1(3) . . . . ?
C43 P4 C49 C54 109.1(3) . . . . ?
C43 C48 C47 C46 -1.6(9) . . . . ?
C36 C31 C32 C33 -1.1(6) . . . . ?
C24 C19 C20 P3 -178.2(3) . . . . ?
C24 C19 C20 C21 -1.8(5) . . . . ?
C31 P3 C25 C30 -152.5(3) . . . . ?
C31 P3 C25 C26 29.5(4) . . . . ?
C31 P3 C20 C21 56.6(3) . . . . ?
C31 P3 C20 C19 -127.2(3) . . . . ?
C31 C36 C35 C34 0.0(6) . . . . ?
C31 C32 C33 C34 0.0(6) . . . . ?
C5 C6 C1 P1 -173.6(3) . . . . ?
C5 C6 C1 C2 1.9(5) . . . . ?
C12 C7 C8 C9 0.1(6) . . . . ?
C12 C11 C10 C9 -0.4(7) . . . . ?
C22 C21 C20 P3 -179.7(3) . . . . ?
C22 C21 C20 C19 4.1(5) . . . . ?
C8 C7 C12 C11 0.3(6) . . . . ?
C25 P3 C31 C36 82.4(3) . . . . ?
C25 P3 C31 C32 -94.6(3) . . . . ?
C25 P3 C20 C21 -51.6(3) . . . . ?
C25 P3 C20 C19 124.7(3) . . . . ?
C25 C30 C29 C28 1.6(7) . . . . ?
C25 C26 C27 C28 -0.2(8) . . . . ?
C20 P3 C31 C36 -24.8(4) . . . . ?
C20 P3 C31 C32 158.2(3) . . . . ?
C20 P3 C25 C30 -39.4(3) . . . . ?
C20 P3 C25 C26 142.6(3) . . . . ?
C20 C21 C22 C23 -3.1(5) . . . . ?
C20 C19 C24 C23 -1.6(5) . . . . ?
C50 C49 C54 C53 0.8(6) . . . . ?
C35 C36 C31 P3 -175.8(3) . . . . ?
C35 C36 C31 C32 1.1(6) . . . . ?
C35 C34 C33 C32 1.2(7) . . . . ?
C18 C13 C14 C15 0.1(6) . . . . ?
C14 C13 C18 C17 0.0(6) . . . . ?
C17 C16 C15 C14 1.3(7) . . . . ?
C11 C10 C9 C8 0.7(7) . . . . ?
C30 C25 C26 C27 1.6(7) . . . . ?
C30 C29 C28 C27 -0.2(8) . . . . ?
C40 C41 C42 C37 1.4(6) . . . . ?
C33 C34 C35 C36 -1.2(6) . . . . ?
C29 C28 C27 C26 -0.5(9) . . . . ?
C45 C46 C47 C48 1.8(9) . . . . ?
C44 C43 C48 C47 0.7(7) . . . . ?
C44 C45 C46 C47 -1.1(7) . . . . ?
C46 C45 C44 C43 0.2(6) . . . . ?
C26 C25 C30 C29 -2.2(6) . . . . ?
C54 C49 C50 C51 -0.9(6) . . . . ?
C48 C43 C44 C45 0.0(6) . . . . ?
C53 C52 C51 C50 0.4(8) . . . . ?
C51 C52 C53 C54 -0.5(8) . . . . ?
C15 C16 C17 C18 -1.2(7) . . . . ?
Ni2 P5 C91 C92 0.2(3) . . . . ?
Ni2 P5 C91 C96 -176.3(3) . . . . ?
Ni2 P5 C55 C60 -176.4(3) . . . . ?
Ni2 P5 C55 C56 2.3(3) . . . . ?
Ni2 P5 C73 C74 -4.1(3) . . . . ?
Ni2 P5 C73 C78 -178.3(3) . . . . ?
Ni2 P8 C92 C91 -7.3(3) . . . . ?
Ni2 P8 C92 C93 172.4(3) . . . . ?
Ni2 P8 C97 C102 121.3(3) . . . . ?
Ni2 P8 C97 C98 -58.8(4) . . . . ?
Ni2 P8 C103 C108 -65.6(3) . . . . ?
Ni2 P8 C103 C104 114.8(4) . . . . ?
Ni2 P6 C61 C66 144.3(3) . . . . ?
Ni2 P6 C61 C62 -36.9(3) . . . . ?
Ni2 P6 C56 C57 175.1(3) . . . . ?
Ni2 P6 C56 C55 0.1(3) . . . . ?
Ni2 P6 C67 C72 101.2(3) . . . . ?
Ni2 P6 C67 C68 -76.7(3) . . . . ?
Ni2 P7 C85 C90 120.4(3) . . . . ?
Ni2 P7 C85 C86 -56.8(4) . . . . ?
Ni2 P7 C74 C75 172.0(3) . . . . ?
Ni2 P7 C74 C73 -3.5(3) . . . . ?
Ni2 P7 C79 C80 111.5(3) . . . . ?
Ni2 P7 C79 C84 -66.4(3) . . . . ?
P5 C91 C92 P8 4.6(4) . . . . ?
P5 C91 C92 C93 -175.0(3) . . . . ?
P5 C91 C96 C95 176.3(3) . . . . ?
P5 C55 C56 P6 -1.5(4) . . . . ?
P5 C55 C56 C57 -176.8(3) . . . . ?
P5 C73 C78 C77 172.2(3) . . . . ?
P8 C92 C93 C94 178.2(3) . . . . ?
P8 C97 C102 C101 179.3(3) . . . . ?
P8 C97 C98 C99 -179.8(4) . . . . ?
P8 C103 C108 C107 178.9(3) . . . . ?
P8 C103 C104 C105 -179.4(5) . . . . ?
P6 C61 C66 C65 178.1(3) . . . . ?
P6 C61 C62 C63 -177.5(3) . . . . ?
P6 C67 C68 C69 179.5(3) . . . . ?
P7 C85 C90 C89 -177.6(3) . . . . ?
P7 C85 C86 C87 177.9(3) . . . . ?
P7 C74 C75 C76 -177.6(3) . . . . ?
P7 C74 C73 P5 4.8(4) . . . . ?
P7 C74 C73 C78 179.2(3) . . . . ?
P7 C79 C80 C81 -178.3(3) . . . . ?
P7 C79 C84 C83 178.6(3) . . . . ?
C57 C58 C59 C60 -0.1(6) . . . . ?
C91 P5 C55 C60 -52.8(3) . . . . ?
C91 P5 C55 C56 126.0(3) . . . . ?
C91 P5 C73 C74 -127.3(3) . . . . ?
C91 P5 C73 C78 58.5(3) . . . . ?
C91 C92 C93 C94 -2.2(5) . . . . ?
C85 P7 C74 C75 -62.3(3) . . . . ?
C85 P7 C74 C73 122.3(3) . . . . ?
C85 P7 C79 C80 -21.3(4) . . . . ?
C85 P7 C79 C84 160.9(3) . . . . ?
C85 C90 C89 C88 0.4(6) . . . . ?
C74 P7 C85 C90 0.2(4) . . . . ?
C74 P7 C85 C86 -177.1(3) . . . . ?
C74 P7 C79 C80 -131.6(3) . . . . ?
C74 P7 C79 C84 50.5(3) . . . . ?
C74 C75 C76 C77 -0.8(6) . . . . ?
C74 C73 C78 C77 -1.8(5) . . . . ?
C92 P8 C97 C102 0.3(4) . . . . ?
C92 P8 C97 C98 -179.8(3) . . . . ?
C92 P8 C103 C108 51.9(3) . . . . ?
C92 P8 C103 C104 -127.6(4) . . . . ?
C92 C91 C96 C95 0.0(5) . . . . ?
C92 C93 C94 C95 1.2(6) . . . . ?
C61 P6 C56 C57 -56.9(3) . . . . ?
C61 P6 C56 C55 128.1(3) . . . . ?
C61 P6 C67 C72 -29.6(4) . . . . ?
C61 P6 C67 C68 152.5(3) . . . . ?
C61 C66 C65 C64 0.0(6) . . . . ?
C79 P7 C85 C90 -105.7(3) . . . . ?
C79 P7 C85 C86 77.1(4) . . . . ?
C79 P7 C74 C75 47.3(3) . . . . ?
C79 P7 C74 C73 -128.1(3) . . . . ?
C79 C80 C81 C82 0.5(7) . . . . ?
C75 C74 C73 P5 -170.8(3) . . . . ?
C75 C74 C73 C78 3.6(5) . . . . ?
C60 C55 C56 P6 177.2(3) . . . . ?
C60 C55 C56 C57 2.0(5) . . . . ?
C55 P5 C91 C92 -123.1(3) . . . . ?
C55 P5 C91 C96 60.4(3) . . . . ?
C55 P5 C73 C74 117.3(3) . . . . ?
C55 P5 C73 C78 -56.8(3) . . . . ?
C55 C60 C59 C58 -1.8(6) . . . . ?
C66 C61 C62 C63 1.4(6) . . . . ?
C66 C65 C64 C63 0.0(7) . . . . ?
C73 P5 C91 C92 123.4(3) . . . . ?
C73 P5 C91 C96 -53.1(3) . . . . ?
C73 P5 C55 C60 61.6(3) . . . . ?
C73 P5 C55 C56 -119.6(3) . . . . ?
C73 C74 C75 C76 -2.3(5) . . . . ?
C73 C78 C77 C76 -1.4(5) . . . . ?
C97 P8 C92 C91 119.3(3) . . . . ?
C97 P8 C92 C93 -61.0(3) . . . . ?
C97 P8 C103 C108 162.0(3) . . . . ?
C97 P8 C103 C104 -17.5(5) . . . . ?
C97 C102 C101 C100 -0.1(7) . . . . ?
C97 C98 C99 C100 1.1(7) . . . . ?
C56 P6 C61 C66 22.3(4) . . . . ?
C56 P6 C61 C62 -159.0(3) . . . . ?
C56 P6 C67 C72 -143.0(3) . . . . ?
C56 P6 C67 C68 39.0(3) . . . . ?
C56 C57 C58 C59 3.0(5) . . . . ?
C78 C77 C76 C75 2.6(6) . . . . ?
C58 C57 C56 P6 -178.8(3) . . . . ?
C58 C57 C56 C55 -3.9(5) . . . . ?
C96 C91 C92 P8 -178.7(3) . . . . ?
C96 C91 C92 C93 1.6(5) . . . . ?
C96 C95 C94 C93 0.4(6) . . . . ?
C102 C97 C98 C99 0.2(6) . . . . ?
C72 C67 C68 C69 1.5(6) . . . . ?
C67 P6 C61 C66 -85.1(3) . . . . ?
C67 P6 C61 C62 93.7(3) . . . . ?
C67 P6 C56 C57 52.3(3) . . . . ?
C67 P6 C56 C55 -122.7(3) . . . . ?
C67 C72 C71 C70 -1.2(7) . . . . ?
C67 C68 C69 C70 -1.3(7) . . . . ?
C59 C60 C55 P5 179.5(3) . . . . ?
C59 C60 C55 C56 0.8(5) . . . . ?
C62 C61 C66 C65 -0.7(6) . . . . ?
C62 C63 C64 C65 0.7(7) . . . . ?
C94 C95 C96 C91 -1.0(6) . . . . ?
C80 C79 C84 C83 0.6(6) . . . . ?
C80 C81 C82 C83 -0.5(7) . . . . ?
C103 P8 C92 C91 -129.0(3) . . . . ?
C103 P8 C92 C93 50.7(4) . . . . ?
C103 P8 C97 C102 -108.0(3) . . . . ?
C103 P8 C97 C98 72.0(4) . . . . ?
C103 C108 C107 C106 0.5(7) . . . . ?
C90 C85 C86 C87 0.5(6) . . . . ?
C88 C87 C86 C85 -0.8(7) . . . . ?
C87 C88 C89 C90 -0.7(7) . . . . ?
C64 C63 C62 C61 -1.4(6) . . . . ?
C98 C97 C102 C101 -0.7(6) . . . . ?
C84 C79 C80 C81 -0.5(6) . . . . ?
C84 C83 C82 C81 0.6(7) . . . . ?
C101 C100 C99 C98 -1.9(8) . . . . ?
C71 C72 C67 P6 -178.2(3) . . . . ?
C71 C72 C67 C68 -0.2(6) . . . . ?
C71 C70 C69 C68 -0.1(7) . . . . ?
C108 C103 C104 C105 1.1(8) . . . . ?
C108 C107 C106 C105 1.0(8) . . . . ?
C69 C70 C71 C72 1.4(7) . . . . ?
C86 C85 C90 C89 -0.3(6) . . . . ?
C89 C88 C87 C86 0.9(7) . . . . ?
C82 C83 C84 C79 -0.7(6) . . . . ?
C104 C103 C108 C107 -1.6(7) . . . . ?
C104 C105 C106 C107 -1.5(10) . . . . ?
C106 C105 C104 C103 0.4(11) . . . . ?
C99 C100 C101 C102 1.4(7) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
