# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2014

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#                                CCDC 
# 
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# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
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#  fide research purposes only. It may contain copyright material
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data_Ni2(Ph3P)2_2(C60)

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C168 H38 Cl4 Ni2 P2'
_chemical_formula_weight         2377.14

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 0.1380 0.1520 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1930 0.2530 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.1740 1.6880 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   Pnma

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z'
'-x-1/2, y-1/2, z-1/2'

_cell_length_a                   25.817(1)
_cell_length_b                   22.976(1)
_cell_length_c                   15.7552(8)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     9345.5(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    40000
_cell_measurement_theta_min      5
_cell_measurement_theta_max      34

_exptl_crystal_description       plate
_exptl_crystal_colour            black
_exptl_crystal_size_max          0.03
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.01
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.684
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4800
_exptl_absorpt_coefficient_mu    1.106
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.87933
_diffrn_radiation_type           synchrotron
_diffrn_radiation_source         'BL 14.1, PSF, BESSY, Berlin, Germany'
_diffrn_radiation_monochromator  Si(111)
_diffrn_measurement_device_type  MAR225
_diffrn_measurement_method       CCD
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            134691
_diffrn_reflns_av_R_equivalents  0.0263
_diffrn_reflns_av_sigmaI/netI    0.0122
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         1.94
_diffrn_reflns_theta_max         35.89
_reflns_number_total             11051
_reflns_number_gt                10335
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       XDS
_computing_cell_refinement       XDS
_computing_data_reduction        XDS
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
 The molecule of Ni2[C60]2(PPh3)2 is situated on a mirror plane.
 Structure disorder concerns the position of a nickel atom and o-dichloribenzene
 molecule. The second position of coordination by nickel is occupied by ca. 6.7%.
 Therefore, only Ni and P atoms were included into refinement, whereas a 
 conrtubution of disordered phosphine groups has been neglected. The molecule of
 o-diclorobenzene is disordered between several positions. The restraints are
 ISOR for three C atoms of o-dichlorobenzene.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0400P)²+25.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         11051
_refine_ls_number_parameters     878
_refine_ls_number_restraints     18
_refine_ls_R_factor_all          0.0639
_refine_ls_R_factor_gt           0.0591
_refine_ls_wR_factor_ref         0.1384
_refine_ls_wR_factor_gt          0.1334
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_restrained_S_all      1.018
_refine_ls_shift/su_max          0.003
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ni1 Ni 0.315250(12) 0.175092(14) 0.54923(2) 0.01997(10) Uani 0.9358(15) 1 d P .
.
Ni1A Ni 0.4157(3) 0.1365(4) 0.4286(6) 0.060(3) Uani 0.0642(15) 1 d P . .
P1 P 0.27406(3) 0.09735(3) 0.59984(4) 0.02141(15) Uani 0.9358(15) 1 d P . .
P1A P 0.4468(6) 0.0522(6) 0.3763(9) 0.008(3) Uiso 0.0353(8) 1 d P . .
P1B P 0.4651(7) 0.0688(7) 0.3742(9) 0.003(3) Uiso 0.0289(7) 1 d P . .
C1 C 0.38163(9) 0.21718(10) 0.57390(15) 0.0240(5) Uani 1 1 d . . .
C2 C 0.36480(9) 0.18578(11) 0.64874(16) 0.0254(5) Uani 1 1 d . . .
C3 C 0.35252(10) 0.22004(12) 0.72616(16) 0.0275(5) Uani 1 1 d . . .
C4 C 0.37109(10) 0.18905(13) 0.79997(17) 0.0307(6) Uani 1 1 d . . .
C5 C 0.38786(11) 0.21868(14) 0.87169(17) 0.0335(6) Uani 1 1 d . . .
C6 C 0.43383(11) 0.19877(14) 0.91691(17) 0.0348(6) Uani 1 1 d . . .
C7 C 0.46201(17) 0.2500 0.9447(2) 0.0373(9) Uani 1 2 d S . .
C8 C 0.51634(17) 0.2500 0.9439(2) 0.0373(9) Uani 1 2 d S . .
C9 C 0.54380(11) 0.19895(14) 0.91488(18) 0.0363(6) Uani 1 1 d . . .
C10 C 0.58896(11) 0.21848(14) 0.86755(19) 0.0366(6) Uani 1 1 d . . .
C11 C 0.60459(11) 0.18837(14) 0.79581(19) 0.0356(6) Uani 1 1 d . . .
C12 C 0.62115(10) 0.21968(14) 0.72041(19) 0.0365(6) Uani 1 1 d . . .
C13 C 0.60318(11) 0.18818(14) 0.6465(2) 0.0368(6) Uani 1 1 d . . .
C14 C 0.58614(10) 0.21852(14) 0.57539(18) 0.0353(6) Uani 1 1 d . . .
C15 C 0.54047(11) 0.19879(13) 0.52985(17) 0.0329(6) Uani 1 1 d . . .
C16 C 0.51245(15) 0.2500 0.5028(2) 0.0304(8) Uani 1 2 d S . .
C17 C 0.45811(14) 0.2500 0.5054(2) 0.0268(7) Uani 1 2 d S . .
C18 C 0.43032(10) 0.19907(11) 0.53336(15) 0.0259(5) Uani 1 1 d . . .
C19 C 0.45733(10) 0.15001(12) 0.55911(17) 0.0290(5) Uani 1 1 d . . .
C20 C 0.51366(11) 0.15018(13) 0.55796(18) 0.0328(6) Uani 1 1 d . . .
C21 C 0.53134(11) 0.11857(12) 0.63212(19) 0.0343(6) Uani 1 1 d . . .
C22 C 0.57557(11) 0.13734(13) 0.6756(2) 0.0358(6) Uani 1 1 d . . .
C23 C 0.57646(11) 0.13700(13) 0.7681(2) 0.0358(6) Uani 1 1 d . . .
C24 C 0.53330(12) 0.11850(13) 0.8129(2) 0.0364(6) Uani 1 1 d . . .
C25 C 0.51660(11) 0.15001(14) 0.88798(18) 0.0359(6) Uani 1 1 d . . .
C26 C 0.46017(11) 0.14996(14) 0.88936(18) 0.0356(6) Uani 1 1 d . . .
C27 C 0.44255(11) 0.11812(13) 0.81489(19) 0.0350(6) Uani 1 1 d . . .
C28 C 0.39888(10) 0.13775(12) 0.77057(17) 0.0311(6) Uani 1 1 d . . .
C29 C 0.39776(10) 0.13733(11) 0.67897(17) 0.0282(5) Uani 1 1 d . . .
C30 C 0.44061(11) 0.11839(11) 0.63446(18) 0.0300(5) Uani 1 1 d . . .
C31 C 0.48644(11) 0.09903(12) 0.67970(19) 0.0333(6) Uani 1 1 d . . .
C32 C 0.48714(11) 0.09863(12) 0.76791(19) 0.0346(6) Uani 1 1 d . . .
C33 C 0.31889(10) 0.21736(10) 0.43835(15) 0.0237(5) Uani 1 1 d . . .
C34 C 0.27061(10) 0.18585(11) 0.44556(15) 0.0256(5) Uani 1 1 d . . .
C35 C 0.22166(10) 0.21976(12) 0.44780(15) 0.0290(5) Uani 1 1 d . . .
C36 C 0.18326(11) 0.18884(14) 0.39857(18) 0.0350(6) Uani 1 1 d . . .
C37 C 0.14473(11) 0.21907(15) 0.35414(19) 0.0389(7) Uani 1 1 d . . .
C38 C 0.12956(11) 0.19911(16) 0.2700(2) 0.0416(7) Uani 1 1 d . . .
C39 C 0.12044(16) 0.2500 0.2185(3) 0.0405(10) Uani 1 2 d S . .
C40 C 0.13458(17) 0.2500 0.1332(3) 0.0407(10) Uani 1 2 d S . .
C41 C 0.15853(13) 0.19928(15) 0.09645(19) 0.0431(7) Uani 1 1 d . . .
C42 C 0.19838(14) 0.21855(16) 0.03732(19) 0.0448(8) Uani 1 1 d . . .
C43 C 0.24425(15) 0.18855(17) 0.03004(19) 0.0485(8) Uani 1 1 d . . .
C44 C 0.29252(15) 0.21997(18) 0.02204(18) 0.0513(9) Uani 1 1 d . . .
C45 C 0.33206(15) 0.18788(18) 0.0684(2) 0.0518(9) Uani 1 1 d . . .
C46 C 0.36978(13) 0.21873(17) 0.1131(2) 0.0492(8) Uani 1 1 d . . .
C47 C 0.38509(12) 0.19902(17) 0.1975(2) 0.0446(8) Uani 1 1 d . . .
C48 C 0.39385(15) 0.2500 0.2485(3) 0.0370(9) Uani 1 2 d S . .
C49 C 0.37902(14) 0.2500 0.3347(2) 0.0306(8) Uani 1 2 d S . .
C50 C 0.35572(10) 0.19924(12) 0.37176(16) 0.0289(5) Uani 1 1 d . . .
C51 C 0.34690(12) 0.15015(12) 0.32178(18) 0.0347(6) Uani 1 1 d . . .
C52 C 0.36188(13) 0.15070(15) 0.23266(19) 0.0412(7) Uani 1 1 d . . .
C53 C 0.32243(14) 0.11872(15) 0.1861(2) 0.0461(8) Uani 1 1 d . . .
C54 C 0.30799(15) 0.13759(17) 0.1049(2) 0.0499(9) Uani 1 1 d . . .
C55 C 0.25357(15) 0.13720(16) 0.0815(2) 0.0485(8) Uani 1 1 d . . .
C56 C 0.21601(15) 0.11881(14) 0.1382(2) 0.0460(8) Uani 1 1 d . . .
C57 C 0.16761(13) 0.15050(15) 0.1459(2) 0.0436(7) Uani 1 1 d . . .
C58 C 0.15260(13) 0.15087(15) 0.2350(2) 0.0422(7) Uani 1 1 d . . .
C59 C 0.19271(13) 0.11864(13) 0.2812(2) 0.0423(7) Uani 1 1 d . . .
C60 C 0.20767(12) 0.13832(13) 0.36160(18) 0.0355(6) Uani 1 1 d . . .
C61 C 0.26144(12) 0.13713(11) 0.38587(17) 0.0320(6) Uani 1 1 d . . .
C62 C 0.29858(13) 0.11859(12) 0.32950(19) 0.0361(6) Uani 1 1 d . . .
C63 C 0.28351(14) 0.09942(12) 0.2449(2) 0.0411(7) Uani 1 1 d . . .
C64 C 0.23081(14) 0.09946(13) 0.2226(2) 0.0436(8) Uani 1 1 d . . .
C65 C 0.22019(10) 0.06290(12) 0.54222(16) 0.0276(5) Uani 1 1 d . . .
C66 C 0.17243(11) 0.09166(13) 0.54490(18) 0.0336(6) Uani 1 1 d . . .
H66 H 0.1689 0.1268 0.5761 0.040 Uiso 1 1 calc R . .
C67 C 0.13006(11) 0.06855(15) 0.5017(2) 0.0398(7) Uani 1 1 d . . .
H67 H 0.0977 0.0882 0.5030 0.048 Uiso 1 1 calc R . .
C68 C 0.13501(12) 0.01702(15) 0.4568(2) 0.0411(7) Uani 1 1 d . . .
H68 H 0.1061 0.0016 0.4271 0.049 Uiso 1 1 calc R . .
C69 C 0.18164(13) -0.01181(14) 0.4551(2) 0.0410(7) Uani 1 1 d . . .
H69 H 0.1848 -0.0473 0.4246 0.049 Uiso 1 1 calc R . .
C70 C 0.22444(12) 0.01079(12) 0.49801(18) 0.0333(6) Uani 1 1 d . . .
H70 H 0.2565 -0.0095 0.4970 0.040 Uiso 1 1 calc R . .
C71 C 0.32522(10) 0.04226(11) 0.60052(18) 0.0299(5) Uani 1 1 d . . .
C72 C 0.35134(12) 0.03201(13) 0.5236(2) 0.0364(6) Uani 1 1 d . . .
H72 H 0.3401 0.0509 0.4732 0.044 Uiso 1 1 calc R . .
C73 C 0.39332(13) -0.00547(15) 0.5209(2) 0.0466(8) Uani 1 1 d . . .
H73 H 0.4098 -0.0136 0.4683 0.056 Uiso 1 1 calc R . .
C74 C 0.41127(13) -0.03109(15) 0.5943(3) 0.0483(8) Uani 1 1 d . . .
H74 H 0.4403 -0.0564 0.5922 0.058 Uiso 1 1 calc R . .
C75 C 0.38696(12) -0.02000(14) 0.6714(2) 0.0448(8) Uani 1 1 d . . .
H75 H 0.4000 -0.0371 0.7220 0.054 Uiso 1 1 calc R . .
C76 C 0.34351(11) 0.01617(12) 0.6749(2) 0.0354(6) Uani 1 1 d . . .
H76 H 0.3265 0.0230 0.7274 0.043 Uiso 1 1 calc R . .
C77 C 0.24653(10) 0.09869(12) 0.70613(16) 0.0284(5) Uani 1 1 d . . .
C78 C 0.22411(13) 0.04869(13) 0.74064(19) 0.0378(6) Uani 1 1 d . . .
H78 H 0.2234 0.0136 0.7087 0.045 Uiso 1 1 calc R . .
C79 C 0.20288(13) 0.05016(14) 0.82151(19) 0.0393(7) Uani 1 1 d . . .
H79 H 0.1877 0.0161 0.8450 0.047 Uiso 1 1 calc R . .
C80 C 0.20381(12) 0.10082(15) 0.86763(18) 0.0377(6) Uani 1 1 d . . .
H80 H 0.1902 0.1014 0.9236 0.045 Uiso 1 1 calc R . .
C81 C 0.22455(11) 0.15102(14) 0.83289(18) 0.0355(6) Uani 1 1 d . . .
H81 H 0.2243 0.1862 0.8646 0.043 Uiso 1 1 calc R . .
C82 C 0.24568(10) 0.15011(12) 0.75204(17) 0.0296(5) Uani 1 1 d . . .
H82 H 0.2596 0.1847 0.7281 0.036 Uiso 1 1 calc R . .
Cl1 Cl 0.51068(5) 0.15894(6) 0.32349(10) 0.0416(4) Uani 0.595(3) 1 d P . .
Cl2 Cl 0.51383(7) 0.15531(12) 0.12260(11) 0.0704(7) Uani 0.595(3) 1 d P . .
Cl3 Cl 0.4668(2) 0.03581(18) 0.0908(3) 0.1176(18) Uani 0.405(3) 1 d P . .
Cl4 Cl 0.42781(12) 0.01971(11) 0.2795(2) 0.1057(11) Uani 0.405(3) 1 d P . .
C83 C 0.4825(4) 0.1059(3) 0.2654(6) 0.052(2) Uani 0.595(3) 1 d P . .
C84 C 0.48039(19) 0.0972(3) 0.1747(3) 0.0833(17) Uani 0.595(3) 1 d P . .
C85 C 0.4532(3) 0.0593(4) 0.1352(5) 0.066(2) Uani 0.595(3) 1 d P . .
C86 C 0.4250(3) 0.0205(3) 0.1789(5) 0.070(2) Uani 0.595(3) 1 d P . .
C87 C 0.42781(12) 0.01971(11) 0.2795(2) 0.1057(11) Uani 0.595(3) 1 d P . .
C88 C 0.4528(2) 0.0615(3) 0.3141(6) 0.062(2) Uani 0.595(3) 1 d P . .
C89 C 0.48039(19) 0.0972(3) 0.1747(3) 0.0833(17) Uani 0.40 1 d P . .
C90 C 0.4681(5) 0.0797(7) 0.2524(7) 0.059(4) Uani 0.405(3) 1 d P . .
C91 C 0.4780(5) 0.1227(6) 0.3148(13) 0.089(5) Uani 0.405(3) 1 d PU . .
C92 C 0.5002(5) 0.1726(8) 0.2775(9) 0.090(5) Uani 0.405(3) 1 d PU . .
C93 C 0.5126(4) 0.1822(7) 0.1980(9) 0.077(3) Uani 0.405(3) 1 d P . .
C94 C 0.5023(6) 0.1298(7) 0.1504(13) 0.111(6) Uani 0.405(3) 1 d PU . .


_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 C33 2.001(2) . ?
Ni1 C1 2.006(2) . ?
Ni1 C34 2.014(2) . ?
Ni1 C2 2.038(2) . ?
Ni1 P1 2.2264(7) . ?
Ni1A P1B 2.187(17) . ?
Ni1A C18 2.220(9) . ?
Ni1A P1A 2.252(16) . ?
Ni1A C50 2.297(9) . ?
Ni1A C19 2.340(9) . ?
Ni1A C91 2.43(2) . ?
Ni1A C51 2.467(9) . ?
P1 C77 1.819(3) . ?
P1 C71 1.829(3) . ?
P1 C65 1.840(3) . ?
P1A P1B 0.608(16) . ?
P1A C88 1.015(16) . ?
P1A Cl4 1.767(15) . ?
P1A C91 2.05(2) . ?
P1A C90 2.125(18) . ?
P1A C83 2.329(19) . ?
P1B C88 1.013(17) . ?
P1B C91 1.59(2) . ?
P1B C90 1.938(18) . ?
P1B C83 1.967(18) . ?
P1B Cl4 2.103(17) . ?
P1B Cl1 2.513(17) . ?
C1 C2 1.449(3) . ?
C1 C18 1.470(3) . ?
C1 C1 1.508(5) 7_565 ?
C2 C29 1.480(3) . ?
C2 C3 1.486(4) . ?
C3 C3 1.377(5) 7_565 ?
C3 C4 1.445(4) . ?
C4 C5 1.389(4) . ?
C4 C28 1.456(4) . ?
C5 C5 1.439(6) 7_565 ?
C5 C6 1.458(4) . ?
C6 C26 1.381(5) . ?
C6 C7 1.451(4) . ?
C7 C8 1.403(6) . ?
C7 C6 1.451(4) 7_565 ?
C8 C9 1.445(4) 7_565 ?
C8 C9 1.445(4) . ?
C9 C25 1.392(4) . ?
C9 C10 1.455(4) . ?
C10 C11 1.385(4) . ?
C10 C10 1.448(6) 7_565 ?
C11 C23 1.453(4) . ?
C11 C12 1.453(4) . ?
C12 C12 1.393(6) 7_565 ?
C12 C13 1.447(4) . ?
C13 C14 1.391(4) . ?
C13 C22 1.443(4) . ?
C14 C14 1.447(6) 7_565 ?
C14 C15 1.453(4) . ?
C15 C20 1.387(4) . ?
C15 C16 1.446(4) . ?
C16 C17 1.403(5) . ?
C16 C15 1.446(4) 7_565 ?
C17 C18 1.441(3) . ?
C17 C18 1.441(3) 7_565 ?
C18 C19 1.386(4) . ?
C19 C20 1.455(4) . ?
C19 C30 1.457(4) . ?
C20 C21 1.449(4) . ?
C21 C22 1.399(4) . ?
C21 C31 1.452(4) . ?
C22 C23 1.459(4) . ?
C23 C24 1.385(4) . ?
C24 C25 1.453(4) . ?
C24 C32 1.460(4) . ?
C25 C26 1.457(4) . ?
C26 C27 1.456(4) . ?
C27 C28 1.401(4) . ?
C27 C32 1.440(4) . ?
C28 C29 1.444(4) . ?
C29 C30 1.380(4) . ?
C30 C31 1.451(4) . ?
C31 C32 1.390(4) . ?
C33 C34 1.446(3) . ?
C33 C50 1.476(4) . ?
C33 C33 1.500(5) 7_565 ?
C34 C61 1.481(4) . ?
C34 C35 1.485(4) . ?
C35 C35 1.389(6) 7_565 ?
C35 C36 1.445(4) . ?
C36 C37 1.401(4) . ?
C36 C60 1.444(5) . ?
C37 C37 1.421(7) 7_565 ?
C37 C38 1.457(4) . ?
C38 C58 1.374(5) . ?
C38 C39 1.442(4) . ?
C39 C40 1.392(7) . ?
C39 C38 1.442(4) 7_565 ?
C40 C41 1.441(4) 7_565 ?
C40 C41 1.441(4) . ?
C41 C57 1.385(5) . ?
C41 C42 1.457(5) . ?
C42 C43 1.375(5) . ?
C42 C42 1.445(7) 7_565 ?
C43 C44 1.446(5) . ?
C43 C55 1.451(5) . ?
C44 C44 1.380(8) 7_565 ?
C44 C45 1.455(5) . ?
C45 C46 1.396(5) . ?
C45 C54 1.433(6) . ?
C46 C46 1.437(8) 7_565 ?
C46 C47 1.459(5) . ?
C47 C52 1.378(5) . ?
C47 C48 1.438(4) . ?
C48 C49 1.411(6) . ?
C48 C47 1.438(4) 7_565 ?
C49 C50 1.437(4) . ?
C49 C50 1.437(4) 7_565 ?
C50 C51 1.394(4) . ?
C51 C62 1.448(4) . ?
C51 C52 1.456(4) . ?
C52 C53 1.455(5) . ?
C53 C54 1.401(5) . ?
C53 C63 1.437(5) . ?
C54 C55 1.453(5) . ?
C55 C56 1.384(5) . ?
C56 C57 1.451(5) . ?
C56 C64 1.454(4) . ?
C57 C58 1.456(5) . ?
C58 C59 1.466(5) . ?
C59 C60 1.400(4) . ?
C59 C64 1.419(5) . ?
C60 C61 1.440(4) . ?
C61 C62 1.374(4) . ?
C62 C63 1.456(4) . ?
C63 C64 1.405(5) . ?
C65 C70 1.389(4) . ?
C65 C66 1.399(4) . ?
C66 C67 1.393(4) . ?
C67 C68 1.385(5) . ?
C68 C69 1.374(5) . ?
C69 C70 1.395(4) . ?
C71 C76 1.398(4) . ?
C71 C72 1.407(4) . ?
C72 C73 1.385(4) . ?
C73 C74 1.378(5) . ?
C74 C75 1.391(5) . ?
C75 C76 1.397(4) . ?
C77 C82 1.385(4) . ?
C77 C78 1.397(4) . ?
C78 C79 1.387(4) . ?
C79 C80 1.372(4) . ?
C80 C81 1.384(4) . ?
C81 C82 1.386(4) . ?
Cl1 C92 0.834(14) . ?
Cl1 C91 1.195(16) . ?
Cl1 C83 1.689(8) . ?
Cl1 C93 2.049(14) . ?
Cl2 C94 0.790(12) . ?
Cl2 C93 1.340(14) . ?
Cl2 C84 1.788(7) . ?
Cl3 C85 0.951(7) . ?
Cl3 C86 1.793(11) . ?
Cl3 C84 1.965(8) . ?
Cl4 C88 1.278(7) . ?
Cl4 C86 1.588(9) . ?
Cl4 C90 1.780(16) . ?
C83 C90 0.736(16) . ?
C83 C91 0.876(19) . ?
C83 C84 1.444(11) . ?
C83 C88 1.489(13) . ?
C83 C92 1.611(19) . ?
C83 C94 1.961(19) . ?
C84 C94 1.013(13) . ?
C84 C85 1.280(9) . ?
C84 C90 1.327(10) . ?
C85 C86 1.342(12) . ?
C85 C90 1.943(15) . ?
C88 C90 1.130(12) . ?
C88 C91 1.548(17) . ?
C90 C91 1.42(2) . ?
C91 C92 1.41(2) . ?
C92 C93 1.31(2) . ?
C93 C94 1.44(2) . ?

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
C33 Ni1 C1 83.97(10) . . ?
C33 Ni1 C34 42.21(10) . . ?
C1 Ni1 C34 125.93(10) . . ?
C33 Ni1 C2 125.70(10) . . ?
C1 Ni1 C2 41.98(10) . . ?
C34 Ni1 C2 165.47(10) . . ?
C33 Ni1 P1 136.43(7) . . ?
C1 Ni1 P1 136.51(7) . . ?
C34 Ni1 P1 96.64(7) . . ?
C2 Ni1 P1 96.94(7) . . ?
P1B Ni1A C18 130.8(6) . . ?
P1B Ni1A P1A 15.7(4) . . ?
C18 Ni1A P1A 140.2(6) . . ?
P1B Ni1A C50 133.4(6) . . ?
C18 Ni1A C50 89.9(3) . . ?
P1A Ni1A C50 129.5(5) . . ?
P1B Ni1A C19 99.8(5) . . ?
C18 Ni1A C19 35.26(16) . . ?
P1A Ni1A C19 105.8(5) . . ?
C50 Ni1A C19 124.7(4) . . ?
P1B Ni1A C91 39.8(6) . . ?
C18 Ni1A C91 121.5(5) . . ?
P1A Ni1A C91 51.8(6) . . ?
C50 Ni1A C91 103.9(5) . . ?
C19 Ni1A C91 111.3(5) . . ?
P1B Ni1A C51 104.1(5) . . ?
C18 Ni1A C51 123.2(4) . . ?
P1A Ni1A C51 96.6(5) . . ?
C50 Ni1A C51 33.79(15) . . ?
C19 Ni1A C51 155.9(4) . . ?
C91 Ni1A C51 89.4(5) . . ?
C77 P1 C71 106.76(13) . . ?
C77 P1 C65 99.56(12) . . ?
C71 P1 C65 104.54(12) . . ?
C77 P1 Ni1 120.17(9) . . ?
C71 P1 Ni1 102.26(9) . . ?
C65 P1 Ni1 121.97(9) . . ?
P1B P1A C88 72(2) . . ?
P1B P1A Cl4 116(2) . . ?
C88 P1A Cl4 45.4(7) . . ?
P1B P1A C91 34.5(19) . . ?
C88 P1A C91 47.0(9) . . ?
Cl4 P1A C91 92.0(8) . . ?
P1B P1A C90 64(2) . . ?
C88 P1A C90 8.3(8) . . ?
Cl4 P1A C90 53.5(6) . . ?
C91 P1A C90 39.6(7) . . ?
P1B P1A Ni1A 76(2) . . ?
C88 P1A Ni1A 103.2(10) . . ?
Cl4 P1A Ni1A 125.5(7) . . ?
C91 P1A Ni1A 68.5(7) . . ?
C90 P1A Ni1A 100.0(7) . . ?
P1B P1A C83 47.2(19) . . ?
C88 P1A C83 26.3(7) . . ?
Cl4 P1A C83 71.7(5) . . ?
C91 P1A C83 21.9(5) . . ?
C90 P1A C83 18.3(5) . . ?
Ni1A P1A C83 87.7(6) . . ?
P1A P1B C88 73(2) . . ?
P1A P1B C91 133(2) . . ?
C88 P1B C91 69.0(12) . . ?
P1A P1B C90 99(2) . . ?
C88 P1B C90 26.8(9) . . ?
C91 P1B C90 46.0(8) . . ?
P1A P1B C83 120(2) . . ?
C88 P1B C83 47.8(9) . . ?
C91 P1B C83 25.8(6) . . ?
C90 P1B C83 21.7(5) . . ?
P1A P1B Cl4 49.2(19) . . ?
C88 P1B Cl4 26.5(8) . . ?
C91 P1B Cl4 95.5(10) . . ?
C90 P1B Cl4 52.1(7) . . ?
C83 P1B Cl4 73.7(6) . . ?
P1A P1B Ni1A 88(2) . . ?
C88 P1B Ni1A 107.5(11) . . ?
C91 P1B Ni1A 78.3(8) . . ?
C90 P1B Ni1A 108.6(8) . . ?
C83 P1B Ni1A 99.6(7) . . ?
Cl4 P1B Ni1A 113.1(8) . . ?
P1A P1B Cl1 154(2) . . ?
C88 P1B Cl1 89.2(11) . . ?
C91 P1B Cl1 21.8(7) . . ?
C90 P1B Cl1 63.8(7) . . ?
C83 P1B Cl1 42.1(4) . . ?
Cl4 P1B Cl1 115.5(6) . . ?
Ni1A P1B Cl1 79.1(5) . . ?
C2 C1 C18 118.0(2) . . ?
C2 C1 C1 119.86(14) . 7_565 ?
C18 C1 C1 106.44(14) . 7_565 ?
C2 C1 Ni1 70.22(14) . . ?
C18 C1 Ni1 120.66(17) . . ?
C1 C1 Ni1 118.82(7) 7_565 . ?
C1 C2 C29 117.7(2) . . ?
C1 C2 C3 117.9(2) . . ?
C29 C2 C3 104.9(2) . . ?
C1 C2 Ni1 67.80(13) . . ?
C29 C2 Ni1 121.18(18) . . ?
C3 C2 Ni1 124.13(18) . . ?
C3 C3 C4 119.51(16) 7_565 . ?
C3 C3 C2 121.99(14) 7_565 . ?
C4 C3 C2 109.2(2) . . ?
C5 C4 C3 121.1(3) . . ?
C5 C4 C28 120.1(2) . . ?
C3 C4 C28 107.8(2) . . ?
C4 C5 C5 119.36(17) . 7_565 ?
C4 C5 C6 119.9(3) . . ?
C5 C5 C6 108.29(18) 7_565 . ?
C26 C6 C7 120.4(3) . . ?
C26 C6 C5 120.1(3) . . ?
C7 C6 C5 107.5(3) . . ?
C8 C7 C6 119.9(2) . . ?
C8 C7 C6 119.9(2) . 7_565 ?
C6 C7 C6 108.4(4) . 7_565 ?
C7 C8 C9 119.6(2) . 7_565 ?
C7 C8 C9 119.6(2) . . ?
C9 C8 C9 108.5(4) 7_565 . ?
C25 C9 C8 120.3(3) . . ?
C25 C9 C10 119.8(3) . . ?
C8 C9 C10 107.8(3) . . ?
C11 C10 C10 119.96(18) . 7_565 ?
C11 C10 C9 119.8(3) . . ?
C10 C10 C9 107.97(18) 7_565 . ?
C10 C11 C23 120.3(3) . . ?
C10 C11 C12 120.4(3) . . ?
C23 C11 C12 107.7(3) . . ?
C12 C12 C13 120.00(18) 7_565 . ?
C12 C12 C11 119.68(17) 7_565 . ?
C13 C12 C11 108.4(3) . . ?
C14 C13 C22 120.3(3) . . ?
C14 C13 C12 119.9(3) . . ?
C22 C13 C12 108.0(3) . . ?
C13 C14 C14 120.06(18) . 7_565 ?
C13 C14 C15 119.9(3) . . ?
C14 C14 C15 108.18(17) 7_565 . ?
C20 C15 C16 120.0(3) . . ?
C20 C15 C14 119.9(3) . . ?
C16 C15 C14 107.3(3) . . ?
C17 C16 C15 119.43(19) . 7_565 ?
C17 C16 C15 119.43(19) . . ?
C15 C16 C15 109.0(3) 7_565 . ?
C16 C17 C18 120.44(19) . . ?
C16 C17 C18 120.44(19) . 7_565 ?
C18 C17 C18 108.6(3) . 7_565 ?
C19 C18 C17 120.0(2) . . ?
C19 C18 C1 122.2(2) . . ?
C17 C18 C1 109.2(2) . . ?
C19 C18 Ni1A 77.1(3) . . ?
C17 C18 Ni1A 112.5(3) . . ?
C1 C18 Ni1A 111.2(3) . . ?
C18 C19 C20 119.8(3) . . ?
C18 C19 C30 119.7(2) . . ?
C20 C19 C30 107.9(2) . . ?
C18 C19 Ni1A 67.6(3) . . ?
C20 C19 Ni1A 116.6(3) . . ?
C30 C19 Ni1A 120.9(3) . . ?
C15 C20 C21 120.3(3) . . ?
C15 C20 C19 120.3(3) . . ?
C21 C20 C19 107.7(3) . . ?
C22 C21 C20 119.8(3) . . ?
C22 C21 C31 119.6(3) . . ?
C20 C21 C31 108.6(2) . . ?
C21 C22 C13 119.8(3) . . ?
C21 C22 C23 120.0(3) . . ?
C13 C22 C23 108.3(3) . . ?
C24 C23 C11 119.9(3) . . ?
C24 C23 C22 119.9(3) . . ?
C11 C23 C22 107.7(3) . . ?
C23 C24 C25 120.0(3) . . ?
C23 C24 C32 120.4(3) . . ?
C25 C24 C32 108.0(3) . . ?
C9 C25 C24 120.1(3) . . ?
C9 C25 C26 120.1(3) . . ?
C24 C25 C26 108.0(3) . . ?
C6 C26 C27 120.5(3) . . ?
C6 C26 C25 119.7(3) . . ?
C27 C26 C25 107.5(3) . . ?
C28 C27 C32 119.2(3) . . ?
C28 C27 C26 119.4(3) . . ?
C32 C27 C26 108.7(3) . . ?
C27 C28 C29 120.8(3) . . ?
C27 C28 C4 119.9(3) . . ?
C29 C28 C4 108.3(2) . . ?
C30 C29 C28 119.6(2) . . ?
C30 C29 C2 122.3(2) . . ?
C28 C29 C2 109.2(2) . . ?
C29 C30 C31 120.0(3) . . ?
C29 C30 C19 119.6(2) . . ?
C31 C30 C19 108.1(2) . . ?
C32 C31 C30 120.2(3) . . ?
C32 C31 C21 120.5(3) . . ?
C30 C31 C21 107.6(2) . . ?
C31 C32 C27 120.1(3) . . ?
C31 C32 C24 119.6(3) . . ?
C27 C32 C24 107.8(3) . . ?
C34 C33 C50 118.0(2) . . ?
C34 C33 C33 120.05(14) . 7_565 ?
C50 C33 C33 106.39(14) . 7_565 ?
C34 C33 Ni1 69.39(13) . . ?
C50 C33 Ni1 120.93(17) . . ?
C33 C33 Ni1 119.04(7) 7_565 . ?
C33 C34 C61 117.8(2) . . ?
C33 C34 C35 118.2(2) . . ?
C61 C34 C35 106.0(2) . . ?
C33 C34 Ni1 68.40(13) . . ?
C61 C34 Ni1 120.91(18) . . ?
C35 C34 Ni1 122.14(18) . . ?
C35 C35 C36 119.44(17) 7_565 . ?
C35 C35 C34 121.64(14) 7_565 . ?
C36 C35 C34 108.2(2) . . ?
C37 C36 C60 120.5(3) . . ?
C37 C36 C35 120.8(3) . . ?
C60 C36 C35 108.2(2) . . ?
C36 C37 C37 119.73(18) . 7_565 ?
C36 C37 C38 119.3(3) . . ?
C37 C37 C38 108.35(19) 7_565 . ?
C58 C38 C39 119.9(3) . . ?
C58 C38 C37 120.2(3) . . ?
C39 C38 C37 107.5(3) . . ?
C40 C39 C38 120.0(2) . 7_565 ?
C40 C39 C38 120.0(2) . . ?
C38 C39 C38 108.3(4) 7_565 . ?
C39 C40 C41 120.0(2) . 7_565 ?
C39 C40 C41 120.0(2) . . ?
C41 C40 C41 108.0(4) 7_565 . ?
C57 C41 C40 120.1(3) . . ?
C57 C41 C42 119.1(3) . . ?
C40 C41 C42 108.3(3) . . ?
C43 C42 C42 120.1(2) . 7_565 ?
C43 C42 C41 120.6(3) . . ?
C42 C42 C41 107.7(2) 7_565 . ?
C42 C43 C44 120.0(3) . . ?
C42 C43 C55 120.2(3) . . ?
C44 C43 C55 108.2(3) . . ?
C44 C44 C43 120.0(2) 7_565 . ?
C44 C44 C45 120.4(2) 7_565 . ?
C43 C44 C45 107.9(3) . . ?
C46 C45 C54 120.6(3) . . ?
C46 C45 C44 119.1(4) . . ?
C54 C45 C44 107.8(3) . . ?
C45 C46 C46 120.5(2) . 7_565 ?
C45 C46 C47 119.4(3) . . ?
C46 C46 C47 108.1(2) 7_565 . ?
C52 C47 C48 120.0(3) . . ?
C52 C47 C46 119.9(3) . . ?
C48 C47 C46 107.4(3) . . ?
C49 C48 C47 119.7(2) . . ?
C49 C48 C47 119.7(2) . 7_565 ?
C47 C48 C47 109.0(4) . 7_565 ?
C48 C49 C50 120.3(2) . . ?
C48 C49 C50 120.3(2) . 7_565 ?
C50 C49 C50 108.6(3) . 7_565 ?
C51 C50 C49 119.7(3) . . ?
C51 C50 C33 121.6(3) . . ?
C49 C50 C33 109.3(2) . . ?
C51 C50 Ni1A 79.8(3) . . ?
C49 C50 Ni1A 112.7(3) . . ?
C33 C50 Ni1A 109.5(3) . . ?
C50 C51 C62 119.9(3) . . ?
C50 C51 C52 119.6(3) . . ?
C62 C51 C52 108.3(3) . . ?
C50 C51 Ni1A 66.4(3) . . ?
C62 C51 Ni1A 120.0(3) . . ?
C52 C51 Ni1A 117.9(3) . . ?
C47 C52 C53 120.6(3) . . ?
C47 C52 C51 120.7(3) . . ?
C53 C52 C51 107.2(3) . . ?
C54 C53 C63 119.9(3) . . ?
C54 C53 C52 119.4(4) . . ?
C63 C53 C52 108.7(3) . . ?
C53 C54 C45 120.1(3) . . ?
C53 C54 C55 119.2(4) . . ?
C45 C54 C55 108.8(3) . . ?
C56 C55 C43 119.5(3) . . ?
C56 C55 C54 121.0(3) . . ?
C43 C55 C54 107.3(3) . . ?
C55 C56 C57 120.3(3) . . ?
C55 C56 C64 120.0(3) . . ?
C57 C56 C64 107.6(3) . . ?
C41 C57 C56 120.3(3) . . ?
C41 C57 C58 119.5(3) . . ?
C56 C57 C58 108.3(3) . . ?
C38 C58 C57 120.5(3) . . ?
C38 C58 C59 120.9(3) . . ?
C57 C58 C59 106.7(3) . . ?
C60 C59 C64 119.9(3) . . ?
C60 C59 C58 118.8(3) . . ?
C64 C59 C58 108.9(3) . . ?
C59 C60 C61 120.0(3) . . ?
C59 C60 C36 120.3(3) . . ?
C61 C60 C36 109.2(2) . . ?
C62 C61 C60 120.4(3) . . ?
C62 C61 C34 122.2(3) . . ?
C60 C61 C34 108.0(3) . . ?
C61 C62 C51 120.0(2) . . ?
C61 C62 C63 119.9(3) . . ?
C51 C62 C63 107.7(3) . . ?
C64 C63 C53 121.0(3) . . ?
C64 C63 C62 119.2(3) . . ?
C53 C63 C62 108.1(3) . . ?
C63 C64 C59 120.6(3) . . ?
C63 C64 C56 118.9(3) . . ?
C59 C64 C56 108.5(3) . . ?
C70 C65 C66 119.4(3) . . ?
C70 C65 P1 123.9(2) . . ?
C66 C65 P1 116.6(2) . . ?
C67 C66 C65 119.8(3) . . ?
C68 C67 C66 120.2(3) . . ?
C69 C68 C67 120.2(3) . . ?
C68 C69 C70 120.3(3) . . ?
C65 C70 C69 120.1(3) . . ?
C76 C71 C72 119.2(3) . . ?
C76 C71 P1 123.1(2) . . ?
C72 C71 P1 117.2(2) . . ?
C73 C72 C71 120.3(3) . . ?
C74 C73 C72 120.2(3) . . ?
C73 C74 C75 120.2(3) . . ?
C74 C75 C76 120.3(3) . . ?
C75 C76 C71 119.6(3) . . ?
C82 C77 C78 119.4(2) . . ?
C82 C77 P1 120.1(2) . . ?
C78 C77 P1 120.4(2) . . ?
C79 C78 C77 120.1(3) . . ?
C80 C79 C78 120.0(3) . . ?
C79 C80 C81 120.3(3) . . ?
C80 C81 C82 120.2(3) . . ?
C77 C82 C81 119.9(3) . . ?
C92 Cl1 C91 86.2(14) . . ?
C92 Cl1 C83 70.2(12) . . ?
C91 Cl1 C83 29.5(10) . . ?
C92 Cl1 C93 21.8(11) . . ?
C91 Cl1 C93 95.1(11) . . ?
C83 Cl1 C93 71.1(5) . . ?
C92 Cl1 P1B 115.8(12) . . ?
C91 Cl1 P1B 29.6(10) . . ?
C83 Cl1 P1B 51.4(5) . . ?
C93 Cl1 P1B 122.3(5) . . ?
C94 Cl2 C93 80.9(16) . . ?
C94 Cl2 C84 8.2(15) . . ?
C93 Cl2 C84 85.8(6) . . ?
C85 Cl3 C86 47.1(7) . . ?
C85 Cl3 C84 33.2(5) . . ?
C86 Cl3 C84 74.3(3) . . ?
C88 Cl4 C86 116.1(6) . . ?
C88 Cl4 P1A 34.4(7) . . ?
C86 Cl4 P1A 150.5(6) . . ?
C88 Cl4 C90 39.2(6) . . ?
C86 Cl4 C90 77.2(5) . . ?
P1A Cl4 C90 73.6(7) . . ?
C88 Cl4 P1B 20.7(6) . . ?
C86 Cl4 P1B 136.4(6) . . ?
P1A Cl4 P1B 15.1(5) . . ?
C90 Cl4 P1B 59.2(6) . . ?
C90 C83 C91 123(2) . . ?
C90 C83 C84 66.0(11) . . ?
C91 C83 C84 159.0(13) . . ?
C90 C83 C88 47.5(11) . . ?
C91 C83 C88 77.0(14) . . ?
C84 C83 C88 113.4(7) . . ?
C90 C83 C92 162.4(15) . . ?
C91 C83 C92 60.9(13) . . ?
C84 C83 C92 105.0(9) . . ?
C88 C83 C92 137.4(9) . . ?
C90 C83 Cl1 163.4(16) . . ?
C91 C83 Cl1 42.2(12) . . ?
C84 C83 Cl1 130.7(7) . . ?
C88 C83 Cl1 115.9(7) . . ?
C92 C83 Cl1 29.1(5) . . ?
C90 C83 C94 95.9(14) . . ?
C91 C83 C94 137.0(15) . . ?
C84 C83 C94 30.0(6) . . ?
C88 C83 C94 143.3(8) . . ?
C92 C83 C94 76.7(9) . . ?
Cl1 C83 C94 100.7(7) . . ?
C90 C83 P1B 76.9(14) . . ?
C91 C83 P1B 52.1(14) . . ?
C84 C83 P1B 142.6(8) . . ?
C88 C83 P1B 30.3(6) . . ?
C92 C83 P1B 111.9(9) . . ?
Cl1 C83 P1B 86.5(6) . . ?
C94 C83 P1B 170.5(8) . . ?
C90 C83 P1A 65.0(13) . . ?
C91 C83 P1A 60.9(14) . . ?
C84 C83 P1A 130.9(7) . . ?
C88 C83 P1A 17.6(5) . . ?
C92 C83 P1A 121.8(8) . . ?
Cl1 C83 P1A 98.4(6) . . ?
C94 C83 P1A 160.9(8) . . ?
P1B C83 P1A 13.1(5) . . ?
C94 C84 C85 128.7(14) . . ?
C94 C84 C90 134.9(16) . . ?
C85 C84 C90 96.3(10) . . ?
C94 C84 C83 104.6(14) . . ?
C85 C84 C83 126.5(7) . . ?
C90 C84 C83 30.4(7) . . ?
C94 C84 Cl2 6.4(12) . . ?
C85 C84 Cl2 123.4(5) . . ?
C90 C84 Cl2 139.9(10) . . ?
C83 C84 Cl2 109.5(6) . . ?
C94 C84 Cl3 112.1(13) . . ?
C85 C84 Cl3 24.0(4) . . ?
C90 C84 Cl3 111.1(9) . . ?
C83 C84 Cl3 140.4(6) . . ?
Cl2 C84 Cl3 108.3(3) . . ?
Cl3 C85 C84 122.7(9) . . ?
Cl3 C85 C86 101.6(8) . . ?
C84 C85 C86 120.1(7) . . ?
Cl3 C85 C90 139.7(7) . . ?
C84 C85 C90 42.8(5) . . ?
C86 C85 C90 77.4(7) . . ?
C85 C86 Cl4 119.6(7) . . ?
C85 C86 Cl3 31.3(4) . . ?
Cl4 C86 Cl3 138.3(6) . . ?
P1B C88 P1A 34.9(10) . . ?
P1B C88 C90 129.3(15) . . ?
P1A C88 C90 164.2(15) . . ?
P1B C88 Cl4 132.9(13) . . ?
P1A C88 Cl4 100.2(12) . . ?
C90 C88 Cl4 95.1(12) . . ?
P1B C88 C83 102.0(12) . . ?
P1A C88 C83 136.1(11) . . ?
C90 C88 C83 28.7(9) . . ?
Cl4 C88 C83 123.7(8) . . ?
P1B C88 C91 73.3(13) . . ?
P1A C88 C91 104.4(13) . . ?
C90 C88 C91 61.5(11) . . ?
Cl4 C88 C91 153.7(11) . . ?
C83 C88 C91 33.5(8) . . ?
C83 C90 C88 103.8(17) . . ?
C83 C90 C84 83.6(15) . . ?
C88 C90 C84 171.8(17) . . ?
C83 C90 C91 31.4(14) . . ?
C88 C90 C91 73.9(10) . . ?
C84 C90 C91 112.7(15) . . ?
C83 C90 Cl4 149.4(15) . . ?
C88 C90 Cl4 45.7(7) . . ?
C84 C90 Cl4 126.7(12) . . ?
C91 C90 Cl4 118.5(9) . . ?
C83 C90 P1B 81.3(14) . . ?
C88 C90 P1B 23.8(7) . . ?
C84 C90 P1B 164.3(14) . . ?
C91 C90 P1B 53.8(10) . . ?
Cl4 C90 P1B 68.8(7) . . ?
C83 C90 C85 124.2(15) . . ?
C88 C90 C85 131.2(14) . . ?
C84 C90 C85 40.9(6) . . ?
C91 C90 C85 149.7(12) . . ?
Cl4 C90 C85 85.7(8) . . ?
P1B C90 C85 154.4(12) . . ?
C83 C90 P1A 96.7(14) . . ?
C88 C90 P1A 7.5(7) . . ?
C84 C90 P1A 178.8(9) . . ?
C91 C90 P1A 67.4(9) . . ?
Cl4 C90 P1A 52.9(5) . . ?
P1B C90 P1A 16.4(5) . . ?
C85 C90 P1A 138.6(11) . . ?
C83 C91 Cl1 108.3(19) . . ?
C83 C91 C92 86.2(19) . . ?
Cl1 C91 C92 36.1(7) . . ?
C83 C91 C90 26.0(10) . . ?
Cl1 C91 C90 133.9(17) . . ?
C92 C91 C90 110.5(17) . . ?
C83 C91 C88 69.5(12) . . ?
Cl1 C91 C88 158.6(10) . . ?
C92 C91 C88 155.0(18) . . ?
C90 C91 C88 44.5(7) . . ?
C83 C91 P1B 102.0(14) . . ?
Cl1 C91 P1B 128.6(15) . . ?
C92 C91 P1B 164.7(15) . . ?
C90 C91 P1B 80.1(10) . . ?
C88 C91 P1B 37.7(8) . . ?
C83 C91 P1A 97.2(14) . . ?
Cl1 C91 P1A 140.7(14) . . ?
C92 C91 P1A 176.4(15) . . ?
C90 C91 P1A 73.0(9) . . ?
C88 C91 P1A 28.6(6) . . ?
P1B C91 P1A 12.5(7) . . ?
C83 C91 Ni1A 143.4(15) . . ?
Cl1 C91 Ni1A 106.9(11) . . ?
C92 C91 Ni1A 118.1(11) . . ?
C90 C91 Ni1A 119.0(10) . . ?
C88 C91 Ni1A 81.2(8) . . ?
P1B C91 Ni1A 61.9(8) . . ?
P1A C91 Ni1A 59.7(7) . . ?
Cl1 C92 C93 144.5(17) . . ?
Cl1 C92 C91 57.7(13) . . ?
C93 C92 C91 129.4(16) . . ?
Cl1 C92 C83 80.7(14) . . ?
C93 C92 C83 96.7(12) . . ?
C91 C92 C83 32.9(9) . . ?
C92 C93 Cl2 140.8(14) . . ?
C92 C93 C94 108.1(14) . . ?
Cl2 C93 C94 32.7(6) . . ?
C92 C93 Cl1 13.7(6) . . ?
Cl2 C93 Cl1 137.4(10) . . ?
C94 C93 Cl1 106.2(11) . . ?
Cl2 C94 C84 165(3) . . ?
Cl2 C94 C93 66.3(14) . . ?
C84 C94 C93 121.5(18) . . ?
Cl2 C94 C83 145(2) . . ?
C84 C94 C83 45.5(9) . . ?
C93 C94 C83 78.6(11) . . ?

_diffrn_measured_fraction_theta_max 0.931
_diffrn_reflns_theta_full        31.52
_diffrn_measured_fraction_theta_full 0.977
_refine_diff_density_max         0.718
_refine_diff_density_min         -0.727
_refine_diff_density_rms         0.079
_chemical_properties_physical    Air-sensitive
_database_code_depnum_ccdc_archive 'CCDC 999053'
