# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# 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 
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data_paper
_database_code_depnum_ccdc_archive 'CCDC 1814006'
_audit_update_record             
;
2018-01-31 deposited with the CCDC.
2018-02-15 downloaded from the CCDC.
;
_audit_creation_date             2018-01-31
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '2(C51 H43 Cl Ni P4), C4 H8 O'
_chemical_formula_sum            'C106 H94 Cl2 Ni2 O P8'
_chemical_formula_weight         1819.88
_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'
O O 0.0106 0.0060 '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                   22.142(4)
_cell_length_b                   19.799(4)
_cell_length_c                   23.579(5)
_cell_angle_alpha                90
_cell_angle_beta                 111.75(3)
_cell_angle_gamma                90
_cell_volume                     9601(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    1891
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1.0
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.629
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'dark red'
_exptl_crystal_colour_lustre     .
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.259
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3792
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.15
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0867
_diffrn_reflns_av_unetI/netI     0.0620
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            84432
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.797
_diffrn_reflns_theta_min         1.428
_diffrn_ambient_temperature      100.0
_diffrn_detector                 'image plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Stoe IPDS2'
_diffrn_measurement_method       ω-scans
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                13623
_reflns_number_total             20237
_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       'STOE X-AREA'
_computing_data_collection       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.551
_refine_diff_density_min         -0.358
_refine_diff_density_rms         0.057
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.971
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1072
_refine_ls_number_reflns         20237
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0687
_refine_ls_R_factor_gt           0.0395
_refine_ls_restrained_S_all      0.971
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0492P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0897
_refine_ls_wR_factor_ref         0.0976
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C00O(H00A,H00B), C014(H01A,H01B), C031(H03B,H03C), C032(H03D,H03E), C037(H03F,
 H03G), C03B(H03H,H03I)
2.b Aromatic/amide H refined with riding coordinates:
 C00K(H00K), C00L(H00L), C00Q(H00Q), C00R(H00R), C00T(H00T), C00V(H00V),
 C00X(H00X), C00Z(H00Z), C011(H011), C012(H012), C013(H013), C015(H015),
 C016(H016), C017(H017), C018(H018), C01A(H01C), C01B(H01E), C01C(H01F),
 C01D(H01D), C01G(H01G), C01H(H01H), C01I(H01I), C01J(H01J), C01K(H01K),
 C01L(H01L), C01M(H01M), C01N(H01N), C01O(H01O), C01P(H01P), C01Q(H01Q),
 C01R(H01R), C01S(H01S), C01T(H01T), C01U(H01U), C01V(H01V), C01W(H01W),
 C01X(H01X), C01Y(H01Y), C01Z(H01Z), C020(H020), C021(H021), C022(H022),
 C023(H023), C024(H024), C025(H025), C026(H026), C027(H027), C028(H028),
 C029(H029), C02A(H02A), C02B(H02B), C02C(H02C), C02D(H02D), C02E(H02E),
 C02F(H02F), C02G(H02G), C02H(H02H), C02J(H02J), C02K(H02K), C02L(H02L),
 C02M(H02M), C02N(H02N), C02O(H02O), C02P(H02P), C02Q(H02Q), C02R(H02R),
 C02S(H02S), C02T(H02T), C02U(H02U), C02V(H02V), C02W(H02W), C02X(H02X),
 C02Y(H02Y), C02Z(H02Z), C030(H030), C033(H033), C034(H034), C035(H035),
 C036(H036), C038(H038), C039(H039), C03A(H03A)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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
Ni01 Ni 0.26487(2) 0.71276(2) 0.72130(2) 0.02646(7) Uani 1 1 d . . . . .
Ni02 Ni 0.38057(2) 0.24570(2) 0.57196(2) 0.02606(7) Uani 1 1 d . . . . .
Cl03 Cl 0.48424(3) 0.25215(3) 0.58612(3) 0.03276(13) Uani 1 1 d . . . . .
P004 P 0.29323(3) 0.68321(3) 0.85614(3) 0.02681(13) Uani 1 1 d . . . . .
P005 P 0.24253(3) 0.82207(3) 0.80988(3) 0.02727(14) Uani 1 1 d . . . . .
P06 P 0.38497(3) 0.32233(3) 0.64027(3) 0.02857(14) Uani 1 1 d . . . . .
P07 P 0.36209(3) 0.17402(3) 0.49580(3) 0.02751(13) Uani 1 1 d . . . . .
P08 P 0.33395(3) 0.62988(3) 0.76327(3) 0.02706(14) Uani 1 1 d . . . . .
P009 P 0.26923(3) 0.24281(3) 0.61906(3) 0.02901(14) Uani 1 1 d . . . . .
P00A P 0.23791(3) 0.22017(3) 0.48355(3) 0.02934(14) Uani 1 1 d . . . . .
Cl0B Cl 0.25728(3) 0.68434(3) 0.62850(3) 0.04024(16) Uani 1 1 d . . . . .
P0C P 0.18408(3) 0.78474(3) 0.68581(3) 0.02851(14) Uani 1 1 d . . . . .
O00D O 0.10787(12) 0.08720(12) 0.68818(11) 0.0674(6) Uani 1 1 d . . . . .
C00E C 0.40934(12) 0.61774(11) 0.75034(11) 0.0290(5) Uani 1 1 d . . . . .
C00F C 0.32317(12) 0.70917(12) 0.93550(11) 0.0291(5) Uani 1 1 d . . . . .
C00G C 0.27212(11) 0.74350(12) 0.80142(11) 0.0278(5) Uani 1 1 d . . . . .
C00H C 0.29637(11) 0.54642(12) 0.74928(11) 0.0290(5) Uani 1 1 d . . . . .
C00I C 0.39899(11) 0.09079(12) 0.51943(10) 0.0280(5) Uani 1 1 d . . . . .
C00J C 0.28844(11) 0.24630(12) 0.55610(11) 0.0303(5) Uani 1 1 d . . . . .
C00K C 0.46581(12) 0.08000(12) 0.54141(11) 0.0316(5) Uani 1 1 d . . . . .
H00K H 0.4936 0.1153 0.5416 0.038 Uiso 1 1 calc R . . . .
C00L C 0.46929(12) 0.61541(12) 0.79810(12) 0.0341(6) Uani 1 1 d . . . . .
H00L H 0.4715 0.6209 0.8380 0.041 Uiso 1 1 calc R . . . .
C00M C 0.17459(12) 0.83096(12) 0.61531(11) 0.0308(5) Uani 1 1 d . . . . .
C00N C 0.20585(11) 0.82202(12) 0.86798(11) 0.0286(5) Uani 1 1 d . . . . .
C00O C 0.35974(11) 0.63793(12) 0.84600(11) 0.0292(5) Uani 1 1 d . . . . .
H00A H 0.3658 0.5939 0.8654 0.035 Uiso 1 1 calc R . . . .
H00B H 0.4000 0.6632 0.8628 0.035 Uiso 1 1 calc R . . . .
C00P C 0.28275(11) 0.16287(12) 0.66067(11) 0.0311(5) Uani 1 1 d . . . . .
C00Q C 0.14447(12) 0.79384(13) 0.85239(12) 0.0352(6) Uani 1 1 d . . . . .
H00Q H 0.1223 0.7789 0.8127 0.042 Uiso 1 1 calc R . . . .
C00R C 0.50481(12) 0.29112(12) 0.73020(11) 0.0329(6) Uani 1 1 d . . . . .
H00R H 0.4968 0.2478 0.7139 0.040 Uiso 1 1 calc R . . . .
C00S C 0.45873(12) 0.34193(12) 0.70558(11) 0.0287(5) Uani 1 1 d . . . . .
C00T C 0.57411(13) 0.36839(13) 0.80381(12) 0.0370(6) Uani 1 1 d . . . . .
H00T H 0.6126 0.3774 0.8364 0.044 Uiso 1 1 calc R . . . .
C00U C 0.30727(12) 0.88494(12) 0.83841(11) 0.0292(5) Uani 1 1 d . . . . .
C00V C 0.29087(13) 0.69338(12) 0.97449(11) 0.0327(6) Uani 1 1 d . . . . .
H00V H 0.2526 0.6683 0.9602 0.039 Uiso 1 1 calc R . . . .
C00W C 0.36322(12) 0.40393(12) 0.60269(11) 0.0325(5) Uani 1 1 d . . . . .
C00X C 0.32993(13) 0.48866(12) 0.77798(11) 0.0344(6) Uani 1 1 d . . . . .
H00X H 0.3740 0.4915 0.8017 0.041 Uiso 1 1 calc R . . . .
C00Y C 0.23215(12) 0.61881(12) 0.84970(11) 0.0296(5) Uani 1 1 d . . . . .
C00Z C 0.52853(13) 0.41908(13) 0.78056(12) 0.0371(6) Uani 1 1 d . . . . .
H00Z H 0.5365 0.4619 0.7979 0.045 Uiso 1 1 calc R . . . .
C010 C 0.21329(12) 0.29202(13) 0.43124(12) 0.0335(6) Uani 1 1 d . . . . .
C011 C 0.56234(13) 0.30457(13) 0.77857(12) 0.0361(6) Uani 1 1 d . . . . .
H011 H 0.5931 0.2706 0.7940 0.043 Uiso 1 1 calc R . . . .
C012 C 0.41934(12) 0.16292(12) 0.40602(11) 0.0319(5) Uani 1 1 d . . . . .
H012 H 0.4233 0.1168 0.4142 0.038 Uiso 1 1 calc R . . . .
C013 C 0.49117(13) 0.01703(13) 0.56299(11) 0.0366(6) Uani 1 1 d . . . . .
H013 H 0.5359 0.0104 0.5776 0.044 Uiso 1 1 calc R . . . .
C014 C 0.32448(12) 0.30096(12) 0.67308(12) 0.0333(6) Uani 1 1 d . . . . .
H01A H 0.3449 0.2797 0.7127 0.040 Uiso 1 1 calc R . . . .
H01B H 0.3016 0.3411 0.6777 0.040 Uiso 1 1 calc R . . . .
C015 C 0.27963(12) 0.16296(12) 0.45815(12) 0.0343(6) Uani 1 1 d . . . . .
H015 H 0.2607 0.1305 0.4283 0.041 Uiso 1 1 calc R . . . .
C016 C 0.35878(13) 0.03682(12) 0.51942(11) 0.0340(6) Uani 1 1 d . . . . .
H016 H 0.3140 0.0432 0.5048 0.041 Uiso 1 1 calc R . . . .
C017 C 0.23068(12) 0.54048(13) 0.71308(12) 0.0378(6) Uani 1 1 d . . . . .
H017 H 0.2074 0.5783 0.6932 0.045 Uiso 1 1 calc R . . . .
C018 C 0.37296(14) 0.75121(14) 1.05617(12) 0.0439(7) Uani 1 1 d . . . . .
H018 H 0.3897 0.7654 1.0966 0.053 Uiso 1 1 calc R . . . .
C019 C 0.18652(12) 0.26661(13) 0.60807(12) 0.0357(6) Uani 1 1 d . . . . .
C01A C 0.27784(12) 0.15767(13) 0.71790(12) 0.0362(6) Uani 1 1 d . . . . .
H01C H 0.2668 0.1955 0.7354 0.043 Uiso 1 1 calc R . . . .
C01B C 0.47124(13) 0.40650(12) 0.73166(11) 0.0323(6) Uani 1 1 d . . . . .
H01E H 0.4410 0.4409 0.7161 0.039 Uiso 1 1 calc R . . . .
C01C C 0.15764(12) 0.11698(13) 0.49396(12) 0.0358(6) Uani 1 1 d . . . . .
H01F H 0.1949 0.0905 0.5051 0.043 Uiso 1 1 calc R . . . .
C01D C 0.31582(14) 0.71508(13) 1.03471(12) 0.0394(6) Uani 1 1 d . . . . .
H01D H 0.2939 0.7052 1.0606 0.047 Uiso 1 1 calc R . . . .
C01E C 0.16050(12) 0.18491(13) 0.47918(11) 0.0337(6) Uani 1 1 d . . . . .
C01F C 0.39506(11) 0.20471(12) 0.43989(11) 0.0288(5) Uani 1 1 d . . . . .
C01G C 0.23780(13) 0.84517(12) 0.92712(11) 0.0332(6) Uani 1 1 d . . . . .
H01G H 0.2788 0.8645 0.9382 0.040 Uiso 1 1 calc R . . . .
C01H C 0.29577(13) 0.94882(12) 0.85736(11) 0.0338(6) Uani 1 1 d . . . . .
H01H H 0.2545 0.9597 0.8564 0.041 Uiso 1 1 calc R . . . .
C01I C 0.12941(13) 0.81378(13) 0.55867(11) 0.0361(6) Uani 1 1 d . . . . .
H01I H 0.1022 0.7770 0.5552 0.043 Uiso 1 1 calc R . . . .
C01J C 0.40628(13) 0.98147(13) 0.87746(12) 0.0396(6) Uani 1 1 d . . . . .
H01J H 0.4393 1.0135 0.8907 0.048 Uiso 1 1 calc R . . . .
C01K C 0.45054(14) -0.03605(13) 0.56299(12) 0.0390(6) Uani 1 1 d . . . . .
H01K H 0.4679 -0.0781 0.5779 0.047 Uiso 1 1 calc R . . . .
C01L C 0.36879(12) 0.87095(13) 0.83807(11) 0.0346(6) Uani 1 1 d . . . . .
H01L H 0.3771 0.8290 0.8247 0.042 Uiso 1 1 calc R . . . .
C01M C 0.43776(13) 0.18897(13) 0.36019(12) 0.0372(6) Uani 1 1 d . . . . .
H01M H 0.4539 0.1603 0.3379 0.045 Uiso 1 1 calc R . . . .
C01N C 0.34528(13) 0.99610(13) 0.87764(11) 0.0366(6) Uani 1 1 d . . . . .
H01N H 0.3374 1.0380 0.8915 0.044 Uiso 1 1 calc R . . . .
C01O C 0.41801(13) 0.91915(13) 0.85752(12) 0.0385(6) Uani 1 1 d . . . . .
H01O H 0.4589 0.9093 0.8571 0.046 Uiso 1 1 calc R . . . .
C01P C 0.16331(14) 0.90471(14) 0.51111(13) 0.0426(7) Uani 1 1 d . . . . .
H01P H 0.1594 0.9294 0.4763 0.051 Uiso 1 1 calc R . . . .
C01Q C 0.52338(13) 0.59696(12) 0.72837(13) 0.0382(6) Uani 1 1 d . . . . .
H01Q H 0.5612 0.5896 0.7209 0.046 Uiso 1 1 calc R . . . .
C01R C 0.39007(13) 0.27380(12) 0.42683(12) 0.0358(6) Uani 1 1 d . . . . .
H01R H 0.3745 0.3029 0.4493 0.043 Uiso 1 1 calc R . . . .
C01S C 0.18789(12) 0.84392(13) 0.73988(11) 0.0343(6) Uani 1 1 d . . . . .
H01S H 0.1631 0.8832 0.7320 0.041 Uiso 1 1 calc R . . . .
C01T C 0.10429(12) 0.22340(15) 0.46244(13) 0.0419(7) Uani 1 1 d . . . . .
H01T H 0.1055 0.2687 0.4524 0.050 Uiso 1 1 calc R . . . .
C01U C 0.38059(12) 0.74613(13) 0.95743(11) 0.0356(6) Uani 1 1 d . . . . .
H01U H 0.4021 0.7571 0.9314 0.043 Uiso 1 1 calc R . . . .
C01V C 0.40772(13) 0.61036(14) 0.69120(12) 0.0414(6) Uani 1 1 d . . . . .
H01V H 0.3682 0.6125 0.6584 0.050 Uiso 1 1 calc R . . . .
C01W C 0.14803(14) 0.81079(14) 0.95391(13) 0.0434(7) Uani 1 1 d . . . . .
H01W H 0.1287 0.8069 0.9827 0.052 Uiso 1 1 calc R . . . .
C01X C 0.30057(11) 0.10636(12) 0.63557(12) 0.0325(6) Uani 1 1 d . . . . .
H01X H 0.3037 0.1092 0.5974 0.039 Uiso 1 1 calc R . . . .
C01Y C 0.29829(14) 0.42708(13) 0.77160(12) 0.0409(7) Uani 1 1 d . . . . .
H01Y H 0.3211 0.3890 0.7914 0.049 Uiso 1 1 calc R . . . .
C01Z C 0.52600(12) 0.60500(13) 0.78710(13) 0.0371(6) Uani 1 1 d . . . . .
H01Z H 0.5658 0.6035 0.8196 0.044 Uiso 1 1 calc R . . . .
C020 C 0.43217(12) 0.25729(13) 0.34753(12) 0.0363(6) Uani 1 1 d . . . . .
H020 H 0.4445 0.2748 0.3168 0.044 Uiso 1 1 calc R . . . .
C021 C 0.30729(12) 0.04066(13) 0.72355(12) 0.0389(6) Uani 1 1 d . . . . .
H021 H 0.3150 -0.0003 0.7443 0.047 Uiso 1 1 calc R . . . .
C022 C 0.46435(14) 0.59989(15) 0.68083(13) 0.0471(7) Uani 1 1 d . . . . .
H022 H 0.4625 0.5947 0.6410 0.057 Uiso 1 1 calc R . . . .
C023 C 0.22940(13) 0.35766(13) 0.45054(13) 0.0390(6) Uani 1 1 d . . . . .
H023 H 0.2506 0.3667 0.4919 0.047 Uiso 1 1 calc R . . . .
C024 C 0.21456(14) 0.88622(13) 0.61938(12) 0.0399(6) Uani 1 1 d . . . . .
H024 H 0.2452 0.8989 0.6570 0.048 Uiso 1 1 calc R . . . .
C025 C 0.20853(14) 0.83951(13) 0.97005(12) 0.0386(6) Uani 1 1 d . . . . .
H025 H 0.2300 0.8552 1.0096 0.046 Uiso 1 1 calc R . . . .
C026 C 0.28932(12) 0.09688(13) 0.74863(12) 0.0386(6) Uani 1 1 d . . . . .
H026 H 0.2850 0.0936 0.7863 0.046 Uiso 1 1 calc R . . . .
C027 C 0.38422(14) -0.02638(13) 0.54081(12) 0.0385(6) Uani 1 1 d . . . . .
H027 H 0.3566 -0.0620 0.5402 0.046 Uiso 1 1 calc R . . . .
C028 C 0.20011(15) 0.51143(14) 0.87759(13) 0.0439(7) Uani 1 1 d . . . . .
H028 H 0.2107 0.4717 0.9002 0.053 Uiso 1 1 calc R . . . .
C029 C 0.31372(12) 0.04563(13) 0.66743(12) 0.0367(6) Uani 1 1 d . . . . .
H029 H 0.3269 0.0083 0.6510 0.044 Uiso 1 1 calc R . . . .
C02A C 0.40810(13) 0.29936(13) 0.38079(12) 0.0384(6) Uani 1 1 d . . . . .
H02A H 0.4039 0.3453 0.3722 0.046 Uiso 1 1 calc R . . . .
C02B C 0.39608(13) 0.42236(13) 0.56493(12) 0.0380(6) Uani 1 1 d . . . . .
H02B H 0.4258 0.3928 0.5589 0.046 Uiso 1 1 calc R . . . .
C02C C 0.16883(12) 0.62938(13) 0.80976(12) 0.0371(6) Uani 1 1 d . . . . .
H02C H 0.1582 0.6685 0.7863 0.045 Uiso 1 1 calc R . . . .
C02D C 0.31812(13) 0.44789(13) 0.61065(12) 0.0389(6) Uani 1 1 d . . . . .
H02D H 0.2963 0.4359 0.6361 0.047 Uiso 1 1 calc R . . . .
C02E C 0.24782(13) 0.55901(13) 0.88300(12) 0.0352(6) Uani 1 1 d . . . . .
H02E H 0.2905 0.5509 0.9090 0.042 Uiso 1 1 calc R . . . .
C02F C 0.19964(14) 0.47822(14) 0.70646(14) 0.0463(7) Uani 1 1 d . . . . .
H02F H 0.1559 0.4746 0.6819 0.056 Uiso 1 1 calc R . . . .
C02G C 0.13680(15) 0.52318(15) 0.83859(14) 0.0476(7) Uani 1 1 d . . . . .
H02G H 0.1046 0.4915 0.8352 0.057 Uiso 1 1 calc R . . . .
C02H C 0.12402(13) 0.85039(14) 0.50701(12) 0.0419(6) Uani 1 1 d . . . . .
H02H H 0.0934 0.8379 0.4693 0.050 Uiso 1 1 calc R . . . .
C02I C 0.10867(12) 0.73440(14) 0.66384(12) 0.0410(7) Uani 1 1 d . . . . .
C02J C 0.14361(12) 0.22296(14) 0.61997(13) 0.0413(7) Uani 1 1 d . . . . .
H02J H 0.1576 0.1804 0.6362 0.050 Uiso 1 1 calc R . . . .
C02K C 0.23311(14) 0.42218(14) 0.73594(14) 0.0449(7) Uani 1 1 d . . . . .
H02K H 0.2118 0.3809 0.7319 0.054 Uiso 1 1 calc R . . . .
C02L C 0.40582(14) 0.76652(15) 1.01777(12) 0.0438(7) Uani 1 1 d . . . . .
H02L H 0.4447 0.7904 1.0326 0.053 Uiso 1 1 calc R . . . .
C02M C 0.16483(13) 0.33030(13) 0.58450(14) 0.0445(7) Uani 1 1 d . . . . .
H02M H 0.1932 0.3601 0.5765 0.053 Uiso 1 1 calc R . . . .
C02N C 0.33894(15) 0.52821(15) 0.54418(13) 0.0499(7) Uani 1 1 d . . . . .
H02N H 0.3310 0.5699 0.5247 0.060 Uiso 1 1 calc R . . . .
C02O C 0.18212(13) 0.27963(15) 0.36881(12) 0.0421(6) Uani 1 1 d . . . . .
H02O H 0.1713 0.2356 0.3551 0.051 Uiso 1 1 calc R . . . .
C02P C 0.11582(14) 0.78774(14) 0.89551(13) 0.0447(7) Uani 1 1 d . . . . .
H02P H 0.0749 0.7681 0.8849 0.054 Uiso 1 1 calc R . . . .
C02Q C 0.04402(14) 0.12818(17) 0.47513(13) 0.0495(8) Uani 1 1 d . . . . .
H02Q H 0.0050 0.1092 0.4736 0.059 Uiso 1 1 calc R . . . .
C02R C 0.10001(13) 0.08877(15) 0.49224(13) 0.0434(7) Uani 1 1 d . . . . .
H02R H 0.0986 0.0436 0.5025 0.052 Uiso 1 1 calc R . . . .
C02S C 0.38446(14) 0.48475(14) 0.53636(12) 0.0457(7) Uani 1 1 d . . . . .
H02S H 0.4072 0.4976 0.5119 0.055 Uiso 1 1 calc R . . . .
C02T C 0.20881(15) 0.92288(14) 0.56696(13) 0.0460(7) Uani 1 1 d . . . . .
H02T H 0.2358 0.9597 0.5698 0.055 Uiso 1 1 calc R . . . .
C02U C 0.04635(13) 0.19514(16) 0.46046(13) 0.0488(7) Uani 1 1 d . . . . .
H02U H 0.0089 0.2214 0.4492 0.059 Uiso 1 1 calc R . . . .
C02V C 0.21415(14) 0.41052(15) 0.40853(14) 0.0490(7) Uani 1 1 d . . . . .
H02V H 0.2250 0.4546 0.4220 0.059 Uiso 1 1 calc R . . . .
C02W C 0.06114(13) 0.75271(19) 0.68562(13) 0.0570(9) Uani 1 1 d . . . . .
H02W H 0.0652 0.7926 0.7076 0.068 Uiso 1 1 calc R . . . .
C02X C 0.18317(14) 0.39774(16) 0.34716(14) 0.0493(8) Uani 1 1 d . . . . .
H02X H 0.1731 0.4332 0.3193 0.059 Uiso 1 1 calc R . . . .
C02Y C 0.12143(13) 0.58171(15) 0.80484(14) 0.0475(7) Uani 1 1 d . . . . .
H02Y H 0.0788 0.5893 0.7785 0.057 Uiso 1 1 calc R . . . .
C02Z C 0.30562(14) 0.50970(14) 0.58067(14) 0.0479(7) Uani 1 1 d . . . . .
H02Z H 0.2747 0.5386 0.5853 0.057 Uiso 1 1 calc R . . . .
C030 C 0.16706(14) 0.33223(16) 0.32693(13) 0.0480(7) Uani 1 1 d . . . . .
H030 H 0.1462 0.3234 0.2855 0.058 Uiso 1 1 calc R . . . .
C031 C 0.07501(14) -0.01036(16) 0.62615(15) 0.0555(8) Uani 1 1 d . . . . .
H03B H 0.0779 -0.0236 0.5876 0.067 Uiso 1 1 calc R . . . .
H03C H 0.0719 -0.0506 0.6484 0.067 Uiso 1 1 calc R . . . .
C032 C 0.13202(15) 0.03260(15) 0.66308(16) 0.0569(8) Uani 1 1 d . . . . .
H03D H 0.1628 0.0061 0.6956 0.068 Uiso 1 1 calc R . . . .
H03E H 0.1540 0.0498 0.6373 0.068 Uiso 1 1 calc R . . . .
C033 C 0.08000(14) 0.24273(16) 0.60765(16) 0.0574(9) Uani 1 1 d . . . . .
H033 H 0.0514 0.2131 0.6155 0.069 Uiso 1 1 calc R . . . .
C034 C 0.10008(15) 0.67503(15) 0.63086(17) 0.0628(9) Uani 1 1 d . . . . .
H034 H 0.1314 0.6615 0.6157 0.075 Uiso 1 1 calc R . . . .
C035 C 0.10149(15) 0.34968(16) 0.57291(17) 0.0616(9) Uani 1 1 d . . . . .
H035 H 0.0876 0.3926 0.5576 0.074 Uiso 1 1 calc R . . . .
C036 C 0.05858(16) 0.30547(17) 0.58393(18) 0.0674(10) Uani 1 1 d . . . . .
H036 H 0.0157 0.3182 0.5753 0.081 Uiso 1 1 calc R . . . .
C037 C 0.04195(18) 0.07680(19) 0.67578(19) 0.0757(11) Uani 1 1 d . . . . .
H03F H 0.0190 0.1195 0.6705 0.091 Uiso 1 1 calc R . . . .
H03G H 0.0356 0.0517 0.7085 0.091 Uiso 1 1 calc R . . . .
C038 C 0.04530(19) 0.63532(19) 0.6201(2) 0.0930(15) Uani 1 1 d . . . . .
H038 H 0.0404 0.5956 0.5977 0.112 Uiso 1 1 calc R . . . .
C039 C 0.00632(16) 0.7108(3) 0.67457(18) 0.0853(15) Uani 1 1 d . . . . .
H039 H -0.0250 0.7230 0.6903 0.102 Uiso 1 1 calc R . . . .
C03A C -0.0015(2) 0.6537(3) 0.6418(2) 0.1053(19) Uani 1 1 d . . . . .
H03A H -0.0383 0.6271 0.6340 0.126 Uiso 1 1 calc R . . . .
C03B C 0.01846(18) 0.0362(2) 0.61649(19) 0.0847(12) Uani 1 1 d . . . . .
H03H H -0.0208 0.0111 0.6115 0.102 Uiso 1 1 calc R . . . .
H03I H 0.0107 0.0650 0.5812 0.102 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
Ni01 P08 2.2114(8) . ?
Ni01 Cl0B 2.2047(8) . ?
Ni01 P0C 2.1958(8) . ?
Ni01 C00G 1.934(2) . ?
Ni02 Cl03 2.1975(8) . ?
Ni02 P06 2.1884(7) . ?
Ni02 P07 2.2050(8) . ?
Ni02 C00J 1.933(2) . ?
P004 C00F 1.813(2) . ?
P004 C00G 1.692(2) . ?
P004 C00O 1.814(2) . ?
P004 C00Y 1.824(2) . ?
P005 C00G 1.728(2) . ?
P005 C00N 1.833(2) . ?
P005 C00U 1.828(3) . ?
P005 C01S 1.702(3) . ?
P06 C00S 1.824(3) . ?
P06 C00W 1.820(3) . ?
P06 C014 1.827(2) . ?
P07 C00I 1.832(2) . ?
P07 C015 1.723(3) . ?
P07 C01F 1.831(2) . ?
P08 C00E 1.820(2) . ?
P08 C00H 1.824(2) . ?
P08 C00O 1.825(2) . ?
P009 C00J 1.691(2) . ?
P009 C00P 1.827(3) . ?
P009 C014 1.814(3) . ?
P009 C019 1.814(2) . ?
P00A C00J 1.740(3) . ?
P00A C010 1.829(3) . ?
P00A C015 1.704(3) . ?
P00A C01E 1.818(2) . ?
P0C C00M 1.840(2) . ?
P0C C01S 1.710(3) . ?
P0C C02I 1.846(3) . ?
O00D C032 1.428(4) . ?
O00D C037 1.394(4) . ?
C00E C00L 1.387(4) . ?
C00E C01V 1.390(3) . ?
C00F C00V 1.393(3) . ?
C00F C01U 1.390(3) . ?
C00H C00X 1.395(3) . ?
C00H C017 1.392(4) . ?
C00I C00K 1.391(3) . ?
C00I C016 1.391(3) . ?
C00K H00K 0.9300 . ?
C00K C013 1.384(3) . ?
C00L H00L 0.9300 . ?
C00L C01Z 1.388(3) . ?
C00M C01I 1.382(4) . ?
C00M C024 1.388(3) . ?
C00N C00Q 1.387(3) . ?
C00N C01G 1.387(3) . ?
C00O H00A 0.9700 . ?
C00O H00B 0.9700 . ?
C00P C01A 1.397(3) . ?
C00P C01X 1.389(3) . ?
C00Q H00Q 0.9300 . ?
C00Q C02P 1.389(3) . ?
C00R H00R 0.9300 . ?
C00R C00S 1.397(3) . ?
C00R C011 1.385(4) . ?
C00S C01B 1.401(3) . ?
C00T H00T 0.9300 . ?
C00T C00Z 1.384(4) . ?
C00T C011 1.380(4) . ?
C00U C01H 1.396(3) . ?
C00U C01L 1.393(3) . ?
C00V H00V 0.9300 . ?
C00V C01D 1.387(4) . ?
C00W C02B 1.391(3) . ?
C00W C02D 1.389(3) . ?
C00X H00X 0.9300 . ?
C00X C01Y 1.386(4) . ?
C00Y C02C 1.385(4) . ?
C00Y C02E 1.392(3) . ?
C00Z H00Z 0.9300 . ?
C00Z C01B 1.385(4) . ?
C010 C023 1.379(4) . ?
C010 C02O 1.397(4) . ?
C011 H011 0.9300 . ?
C012 H012 0.9300 . ?
C012 C01F 1.389(3) . ?
C012 C01M 1.388(3) . ?
C013 H013 0.9300 . ?
C013 C01K 1.383(4) . ?
C014 H01A 0.9700 . ?
C014 H01B 0.9700 . ?
C015 H015 0.9300 . ?
C016 H016 0.9300 . ?
C016 C027 1.388(4) . ?
C017 H017 0.9300 . ?
C017 C02F 1.392(4) . ?
C018 H018 0.9300 . ?
C018 C01D 1.376(4) . ?
C018 C02L 1.389(4) . ?
C019 C02J 1.388(3) . ?
C019 C02M 1.390(4) . ?
C01A H01C 0.9300 . ?
C01A C026 1.379(4) . ?
C01B H01E 0.9300 . ?
C01C H01F 0.9300 . ?
C01C C01E 1.397(3) . ?
C01C C02R 1.380(3) . ?
C01D H01D 0.9300 . ?
C01E C01T 1.386(4) . ?
C01F C01R 1.398(3) . ?
C01G H01G 0.9300 . ?
C01G C025 1.394(3) . ?
C01H H01H 0.9300 . ?
C01H C01N 1.385(4) . ?
C01I H01I 0.9300 . ?
C01I C02H 1.384(4) . ?
C01J H01J 0.9300 . ?
C01J C01N 1.383(4) . ?
C01J C01O 1.379(4) . ?
C01K H01K 0.9300 . ?
C01K C027 1.378(4) . ?
C01L H01L 0.9300 . ?
C01L C01O 1.392(4) . ?
C01M H01M 0.9300 . ?
C01M C020 1.381(3) . ?
C01N H01N 0.9300 . ?
C01O H01O 0.9300 . ?
C01P H01P 0.9300 . ?
C01P C02H 1.364(4) . ?
C01P C02T 1.377(4) . ?
C01Q H01Q 0.9300 . ?
C01Q C01Z 1.374(4) . ?
C01Q C022 1.372(4) . ?
C01R H01R 0.9300 . ?
C01R C02A 1.384(3) . ?
C01S H01S 0.9300 . ?
C01T H01T 0.9300 . ?
C01T C02U 1.385(4) . ?
C01U H01U 0.9300 . ?
C01U C02L 1.382(4) . ?
C01V H01V 0.9300 . ?
C01V C022 1.379(4) . ?
C01W H01W 0.9300 . ?
C01W C025 1.373(4) . ?
C01W C02P 1.373(4) . ?
C01X H01X 0.9300 . ?
C01X C029 1.390(3) . ?
C01Y H01Y 0.9300 . ?
C01Y C02K 1.378(4) . ?
C01Z H01Z 0.9300 . ?
C020 H020 0.9300 . ?
C020 C02A 1.379(3) . ?
C021 H021 0.9300 . ?
C021 C026 1.386(4) . ?
C021 C029 1.386(4) . ?
C022 H022 0.9300 . ?
C023 H023 0.9300 . ?
C023 C02V 1.394(4) . ?
C024 H024 0.9300 . ?
C024 C02T 1.398(4) . ?
C025 H025 0.9300 . ?
C026 H026 0.9300 . ?
C027 H027 0.9300 . ?
C028 H028 0.9300 . ?
C028 C02E 1.386(4) . ?
C028 C02G 1.382(4) . ?
C029 H029 0.9300 . ?
C02A H02A 0.9300 . ?
C02B H02B 0.9300 . ?
C02B C02S 1.385(4) . ?
C02C H02C 0.9300 . ?
C02C C02Y 1.384(4) . ?
C02D H02D 0.9300 . ?
C02D C02Z 1.389(4) . ?
C02E H02E 0.9300 . ?
C02F H02F 0.9300 . ?
C02F C02K 1.372(4) . ?
C02G H02G 0.9300 . ?
C02G C02Y 1.375(4) . ?
C02H H02H 0.9300 . ?
C02I C02W 1.380(4) . ?
C02I C034 1.383(4) . ?
C02J H02J 0.9300 . ?
C02J C033 1.385(4) . ?
C02K H02K 0.9300 . ?
C02L H02L 0.9300 . ?
C02M H02M 0.9300 . ?
C02M C035 1.380(4) . ?
C02N H02N 0.9300 . ?
C02N C02S 1.389(4) . ?
C02N C02Z 1.375(4) . ?
C02O H02O 0.9300 . ?
C02O C030 1.388(4) . ?
C02P H02P 0.9300 . ?
C02Q H02Q 0.9300 . ?
C02Q C02R 1.392(4) . ?
C02Q C02U 1.376(4) . ?
C02R H02R 0.9300 . ?
C02S H02S 0.9300 . ?
C02T H02T 0.9300 . ?
C02U H02U 0.9300 . ?
C02V H02V 0.9300 . ?
C02V C02X 1.376(4) . ?
C02W H02W 0.9300 . ?
C02W C039 1.412(5) . ?
C02X H02X 0.9300 . ?
C02X C030 1.382(4) . ?
C02Y H02Y 0.9300 . ?
C02Z H02Z 0.9300 . ?
C030 H030 0.9300 . ?
C031 H03B 0.9700 . ?
C031 H03C 0.9700 . ?
C031 C032 1.503(4) . ?
C031 C03B 1.502(5) . ?
C032 H03D 0.9700 . ?
C032 H03E 0.9700 . ?
C033 H033 0.9300 . ?
C033 C036 1.373(4) . ?
C034 H034 0.9300 . ?
C034 C038 1.388(5) . ?
C035 H035 0.9300 . ?
C035 C036 1.385(4) . ?
C036 H036 0.9300 . ?
C037 H03F 0.9700 . ?
C037 H03G 0.9700 . ?
C037 C03B 1.528(5) . ?
C038 H038 0.9300 . ?
C038 C03A 1.363(7) . ?
C039 H039 0.9300 . ?
C039 C03A 1.345(7) . ?
C03A H03A 0.9300 . ?
C03B H03H 0.9700 . ?
C03B H03I 0.9700 . ?

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
Cl0B Ni01 P08 92.32(3) . . ?
P0C Ni01 P08 169.39(3) . . ?
P0C Ni01 Cl0B 92.04(4) . . ?
C00G Ni01 P08 90.18(7) . . ?
C00G Ni01 Cl0B 176.42(7) . . ?
C00G Ni01 P0C 85.94(8) . . ?
Cl03 Ni02 P07 91.68(3) . . ?
P06 Ni02 Cl03 95.09(3) . . ?
P06 Ni02 P07 171.82(3) . . ?
C00J Ni02 Cl03 175.69(8) . . ?
C00J Ni02 P06 83.92(8) . . ?
C00J Ni02 P07 88.99(8) . . ?
C00F P004 C00O 105.78(11) . . ?
C00F P004 C00Y 105.10(11) . . ?
C00G P004 C00F 118.64(11) . . ?
C00G P004 C00O 104.87(11) . . ?
C00G P004 C00Y 116.30(12) . . ?
C00O P004 C00Y 104.88(11) . . ?
C00G P005 C00N 112.19(11) . . ?
C00G P005 C00U 112.10(11) . . ?
C00U P005 C00N 103.27(11) . . ?
C01S P005 C00G 106.29(12) . . ?
C01S P005 C00N 111.87(11) . . ?
C01S P005 C00U 111.26(12) . . ?
C00S P06 Ni02 123.42(8) . . ?
C00S P06 C014 105.03(11) . . ?
C00W P06 Ni02 109.01(8) . . ?
C00W P06 C00S 102.41(11) . . ?
C00W P06 C014 107.96(11) . . ?
C014 P06 Ni02 108.14(8) . . ?
C00I P07 Ni02 113.82(8) . . ?
C015 P07 Ni02 110.05(9) . . ?
C015 P07 C00I 108.08(12) . . ?
C015 P07 C01F 107.48(12) . . ?
C01F P07 Ni02 111.70(8) . . ?
C01F P07 C00I 105.41(10) . . ?
C00E P08 Ni01 123.24(8) . . ?
C00E P08 C00H 103.61(10) . . ?
C00E P08 C00O 104.32(11) . . ?
C00H P08 Ni01 113.43(8) . . ?
C00H P08 C00O 102.33(11) . . ?
C00O P08 Ni01 107.70(8) . . ?
C00J P009 C00P 117.54(12) . . ?
C00J P009 C014 105.48(12) . . ?
C00J P009 C019 115.67(12) . . ?
C014 P009 C00P 103.83(12) . . ?
C014 P009 C019 108.54(12) . . ?
C019 P009 C00P 104.93(11) . . ?
C00J P00A C010 110.74(12) . . ?
C00J P00A C01E 114.79(11) . . ?
C015 P00A C00J 107.95(12) . . ?
C015 P00A C010 110.17(12) . . ?
C015 P00A C01E 110.32(12) . . ?
C01E P00A C010 102.79(11) . . ?
C00M P0C Ni01 118.11(8) . . ?
C00M P0C C02I 103.07(12) . . ?
C01S P0C Ni01 110.63(9) . . ?
C01S P0C C00M 106.87(12) . . ?
C01S P0C C02I 111.64(13) . . ?
C02I P0C Ni01 106.32(9) . . ?
C037 O00D C032 109.0(2) . . ?
C00L C00E P08 121.97(18) . . ?
C00L C00E C01V 118.2(2) . . ?
C01V C00E P08 119.9(2) . . ?
C00V C00F P004 122.5(2) . . ?
C01U C00F P004 117.87(17) . . ?
C01U C00F C00V 119.7(2) . . ?
P004 C00G Ni01 114.99(12) . . ?
P004 C00G P005 123.83(13) . . ?
P005 C00G Ni01 119.89(13) . . ?
C00X C00H P08 121.98(19) . . ?
C017 C00H P08 119.37(18) . . ?
C017 C00H C00X 118.4(2) . . ?
C00K C00I P07 122.98(18) . . ?
C016 C00I P07 118.53(18) . . ?
C016 C00I C00K 118.3(2) . . ?
P009 C00J Ni02 114.89(14) . . ?
P009 C00J P00A 124.87(14) . . ?
P00A C00J Ni02 115.88(12) . . ?
C00I C00K H00K 119.8 . . ?
C013 C00K C00I 120.4(2) . . ?
C013 C00K H00K 119.8 . . ?
C00E C00L H00L 119.6 . . ?
C00E C00L C01Z 120.9(2) . . ?
C01Z C00L H00L 119.6 . . ?
C01I C00M P0C 123.37(19) . . ?
C01I C00M C024 118.4(2) . . ?
C024 C00M P0C 118.2(2) . . ?
C00Q C00N P005 117.66(18) . . ?
C00Q C00N C01G 119.0(2) . . ?
C01G C00N P005 123.29(19) . . ?
P004 C00O P08 103.67(12) . . ?
P004 C00O H00A 111.0 . . ?
P004 C00O H00B 111.0 . . ?
P08 C00O H00A 111.0 . . ?
P08 C00O H00B 111.0 . . ?
H00A C00O H00B 109.0 . . ?
C01A C00P P009 121.76(19) . . ?
C01X C00P P009 118.99(19) . . ?
C01X C00P C01A 119.2(2) . . ?
C00N C00Q H00Q 119.7 . . ?
C00N C00Q C02P 120.6(3) . . ?
C02P C00Q H00Q 119.7 . . ?
C00S C00R H00R 119.6 . . ?
C011 C00R H00R 119.6 . . ?
C011 C00R C00S 120.7(2) . . ?
C00R C00S P06 119.04(18) . . ?
C00R C00S C01B 118.7(2) . . ?
C01B C00S P06 122.30(19) . . ?
C00Z C00T H00T 120.0 . . ?
C011 C00T H00T 120.0 . . ?
C011 C00T C00Z 120.0(3) . . ?
C01H C00U P005 121.56(18) . . ?
C01L C00U P005 119.85(18) . . ?
C01L C00U C01H 118.5(2) . . ?
C00F C00V H00V 120.0 . . ?
C01D C00V C00F 119.9(2) . . ?
C01D C00V H00V 120.0 . . ?
C02B C00W P06 115.96(19) . . ?
C02D C00W P06 124.37(19) . . ?
C02D C00W C02B 119.7(2) . . ?
C00H C00X H00X 119.6 . . ?
C01Y C00X C00H 120.8(2) . . ?
C01Y C00X H00X 119.6 . . ?
C02C C00Y P004 118.93(18) . . ?
C02C C00Y C02E 119.4(2) . . ?
C02E C00Y P004 121.7(2) . . ?
C00T C00Z H00Z 119.7 . . ?
C00T C00Z C01B 120.5(2) . . ?
C01B C00Z H00Z 119.7 . . ?
C023 C010 P00A 122.3(2) . . ?
C023 C010 C02O 118.7(2) . . ?
C02O C010 P00A 118.8(2) . . ?
C00R C011 H011 120.0 . . ?
C00T C011 C00R 120.0(2) . . ?
C00T C011 H011 120.0 . . ?
C01F C012 H012 119.5 . . ?
C01M C012 H012 119.5 . . ?
C01M C012 C01F 120.9(2) . . ?
C00K C013 H013 119.7 . . ?
C01K C013 C00K 120.6(2) . . ?
C01K C013 H013 119.7 . . ?
P06 C014 H01A 110.7 . . ?
P06 C014 H01B 110.7 . . ?
P009 C014 P06 105.01(12) . . ?
P009 C014 H01A 110.7 . . ?
P009 C014 H01B 110.7 . . ?
H01A C014 H01B 108.8 . . ?
P07 C015 H015 125.0 . . ?
P00A C015 P07 110.09(14) . . ?
P00A C015 H015 125.0 . . ?
C00I C016 H016 119.4 . . ?
C027 C016 C00I 121.3(2) . . ?
C027 C016 H016 119.4 . . ?
C00H C017 H017 119.9 . . ?
C02F C017 C00H 120.3(2) . . ?
C02F C017 H017 119.9 . . ?
C01D C018 H018 119.8 . . ?
C01D C018 C02L 120.4(3) . . ?
C02L C018 H018 119.8 . . ?
C02J C019 P009 122.7(2) . . ?
C02J C019 C02M 119.0(2) . . ?
C02M C019 P009 118.28(19) . . ?
C00P C01A H01C 119.8 . . ?
C026 C01A C00P 120.4(2) . . ?
C026 C01A H01C 119.8 . . ?
C00S C01B H01E 120.0 . . ?
C00Z C01B C00S 120.1(2) . . ?
C00Z C01B H01E 120.0 . . ?
C01E C01C H01F 119.7 . . ?
C02R C01C H01F 119.7 . . ?
C02R C01C C01E 120.6(3) . . ?
C00V C01D H01D 120.0 . . ?
C018 C01D C00V 120.0(2) . . ?
C018 C01D H01D 120.0 . . ?
C01C C01E P00A 118.99(19) . . ?
C01T C01E P00A 122.2(2) . . ?
C01T C01E C01C 118.8(2) . . ?
C012 C01F P07 123.97(18) . . ?
C012 C01F C01R 118.2(2) . . ?
C01R C01F P07 117.60(17) . . ?
C00N C01G H01G 119.9 . . ?
C00N C01G C025 120.1(2) . . ?
C025 C01G H01G 119.9 . . ?
C00U C01H H01H 119.7 . . ?
C01N C01H C00U 120.5(2) . . ?
C01N C01H H01H 119.7 . . ?
C00M C01I H01I 119.4 . . ?
C00M C01I C02H 121.1(3) . . ?
C02H C01I H01I 119.4 . . ?
C01N C01J H01J 120.1 . . ?
C01O C01J H01J 120.1 . . ?
C01O C01J C01N 119.7(2) . . ?
C013 C01K H01K 120.1 . . ?
C027 C01K C013 119.7(2) . . ?
C027 C01K H01K 120.1 . . ?
C00U C01L H01L 119.7 . . ?
C01O C01L C00U 120.6(2) . . ?
C01O C01L H01L 119.7 . . ?
C012 C01M H01M 119.9 . . ?
C020 C01M C012 120.2(2) . . ?
C020 C01M H01M 119.9 . . ?
C01H C01N H01N 119.8 . . ?
C01J C01N C01H 120.4(2) . . ?
C01J C01N H01N 119.8 . . ?
C01J C01O C01L 120.1(2) . . ?
C01J C01O H01O 119.9 . . ?
C01L C01O H01O 119.9 . . ?
C02H C01P H01P 120.2 . . ?
C02H C01P C02T 119.7(3) . . ?
C02T C01P H01P 120.2 . . ?
C01Z C01Q H01Q 120.3 . . ?
C022 C01Q H01Q 120.3 . . ?
C022 C01Q C01Z 119.4(2) . . ?
C01F C01R H01R 119.7 . . ?
C02A C01R C01F 120.6(2) . . ?
C02A C01R H01R 119.7 . . ?
P005 C01S P0C 111.71(14) . . ?
P005 C01S H01S 124.1 . . ?
P0C C01S H01S 124.1 . . ?
C01E C01T H01T 119.7 . . ?
C02U C01T C01E 120.7(3) . . ?
C02U C01T H01T 119.7 . . ?
C00F C01U H01U 119.9 . . ?
C02L C01U C00F 120.1(2) . . ?
C02L C01U H01U 119.9 . . ?
C00E C01V H01V 119.8 . . ?
C022 C01V C00E 120.4(3) . . ?
C022 C01V H01V 119.8 . . ?
C025 C01W H01W 119.8 . . ?
C025 C01W C02P 120.4(2) . . ?
C02P C01W H01W 119.8 . . ?
C00P C01X H01X 119.9 . . ?
C00P C01X C029 120.1(2) . . ?
C029 C01X H01X 119.9 . . ?
C00X C01Y H01Y 120.0 . . ?
C02K C01Y C00X 120.1(3) . . ?
C02K C01Y H01Y 120.0 . . ?
C00L C01Z H01Z 119.9 . . ?
C01Q C01Z C00L 120.1(3) . . ?
C01Q C01Z H01Z 119.9 . . ?
C01M C020 H020 120.3 . . ?
C02A C020 C01M 119.4(2) . . ?
C02A C020 H020 120.3 . . ?
C026 C021 H021 120.1 . . ?
C029 C021 H021 120.1 . . ?
C029 C021 C026 119.8(2) . . ?
C01Q C022 C01V 121.0(3) . . ?
C01Q C022 H022 119.5 . . ?
C01V C022 H022 119.5 . . ?
C010 C023 H023 119.7 . . ?
C010 C023 C02V 120.5(3) . . ?
C02V C023 H023 119.7 . . ?
C00M C024 H024 120.0 . . ?
C00M C024 C02T 120.1(3) . . ?
C02T C024 H024 120.0 . . ?
C01G C025 H025 120.0 . . ?
C01W C025 C01G 120.0(3) . . ?
C01W C025 H025 120.0 . . ?
C01A C026 C021 120.2(2) . . ?
C01A C026 H026 119.9 . . ?
C021 C026 H026 119.9 . . ?
C016 C027 H027 120.2 . . ?
C01K C027 C016 119.7(2) . . ?
C01K C027 H027 120.2 . . ?
C02E C028 H028 120.1 . . ?
C02G C028 H028 120.1 . . ?
C02G C028 C02E 119.8(3) . . ?
C01X C029 H029 119.9 . . ?
C021 C029 C01X 120.2(2) . . ?
C021 C029 H029 119.9 . . ?
C01R C02A H02A 119.7 . . ?
C020 C02A C01R 120.7(2) . . ?
C020 C02A H02A 119.7 . . ?
C00W C02B H02B 120.0 . . ?
C02S C02B C00W 119.9(3) . . ?
C02S C02B H02B 120.0 . . ?
C00Y C02C H02C 120.0 . . ?
C02Y C02C C00Y 119.9(3) . . ?
C02Y C02C H02C 120.0 . . ?
C00W C02D H02D 120.0 . . ?
C02Z C02D C00W 120.1(3) . . ?
C02Z C02D H02D 120.0 . . ?
C00Y C02E H02E 119.9 . . ?
C028 C02E C00Y 120.3(3) . . ?
C028 C02E H02E 119.9 . . ?
C017 C02F H02F 119.7 . . ?
C02K C02F C017 120.5(3) . . ?
C02K C02F H02F 119.7 . . ?
C028 C02G H02G 120.0 . . ?
C02Y C02G C028 120.0(3) . . ?
C02Y C02G H02G 120.0 . . ?
C01I C02H H02H 119.8 . . ?
C01P C02H C01I 120.4(3) . . ?
C01P C02H H02H 119.8 . . ?
C02W C02I P0C 119.3(2) . . ?
C02W C02I C034 117.9(3) . . ?
C034 C02I P0C 122.6(2) . . ?
C019 C02J H02J 120.0 . . ?
C033 C02J C019 120.0(3) . . ?
C033 C02J H02J 120.0 . . ?
C01Y C02K H02K 120.0 . . ?
C02F C02K C01Y 119.9(3) . . ?
C02F C02K H02K 120.0 . . ?
C018 C02L H02L 120.1 . . ?
C01U C02L C018 119.8(3) . . ?
C01U C02L H02L 120.1 . . ?
C019 C02M H02M 119.8 . . ?
C035 C02M C019 120.4(3) . . ?
C035 C02M H02M 119.8 . . ?
C02S C02N H02N 119.9 . . ?
C02Z C02N H02N 119.9 . . ?
C02Z C02N C02S 120.2(3) . . ?
C010 C02O H02O 119.6 . . ?
C030 C02O C010 120.8(3) . . ?
C030 C02O H02O 119.6 . . ?
C00Q C02P H02P 120.1 . . ?
C01W C02P C00Q 119.8(3) . . ?
C01W C02P H02P 120.1 . . ?
C02R C02Q H02Q 120.0 . . ?
C02U C02Q H02Q 120.0 . . ?
C02U C02Q C02R 120.0(3) . . ?
C01C C02R C02Q 119.7(3) . . ?
C01C C02R H02R 120.1 . . ?
C02Q C02R H02R 120.1 . . ?
C02B C02S C02N 120.1(3) . . ?
C02B C02S H02S 120.0 . . ?
C02N C02S H02S 120.0 . . ?
C01P C02T C024 120.3(3) . . ?
C01P C02T H02T 119.8 . . ?
C024 C02T H02T 119.8 . . ?
C01T C02U H02U 120.0 . . ?
C02Q C02U C01T 120.1(3) . . ?
C02Q C02U H02U 120.0 . . ?
C023 C02V H02V 119.9 . . ?
C02X C02V C023 120.3(3) . . ?
C02X C02V H02V 119.9 . . ?
C02I C02W H02W 120.0 . . ?
C02I C02W C039 119.9(4) . . ?
C039 C02W H02W 120.0 . . ?
C02V C02X H02X 120.0 . . ?
C02V C02X C030 120.0(3) . . ?
C030 C02X H02X 120.0 . . ?
C02C C02Y H02Y 119.7 . . ?
C02G C02Y C02C 120.6(3) . . ?
C02G C02Y H02Y 119.7 . . ?
C02D C02Z H02Z 120.0 . . ?
C02N C02Z C02D 120.1(3) . . ?
C02N C02Z H02Z 120.0 . . ?
C02O C030 H030 120.2 . . ?
C02X C030 C02O 119.7(3) . . ?
C02X C030 H030 120.2 . . ?
H03B C031 H03C 109.2 . . ?
C032 C031 H03B 111.3 . . ?
C032 C031 H03C 111.3 . . ?
C03B C031 H03B 111.3 . . ?
C03B C031 H03C 111.3 . . ?
C03B C031 C032 102.4(3) . . ?
O00D C032 C031 107.8(2) . . ?
O00D C032 H03D 110.2 . . ?
O00D C032 H03E 110.2 . . ?
C031 C032 H03D 110.2 . . ?
C031 C032 H03E 110.2 . . ?
H03D C032 H03E 108.5 . . ?
C02J C033 H033 119.6 . . ?
C036 C033 C02J 120.8(3) . . ?
C036 C033 H033 119.6 . . ?
C02I C034 H034 119.6 . . ?
C02I C034 C038 120.9(4) . . ?
C038 C034 H034 119.6 . . ?
C02M C035 H035 119.9 . . ?
C02M C035 C036 120.3(3) . . ?
C036 C035 H035 119.9 . . ?
C033 C036 C035 119.4(3) . . ?
C033 C036 H036 120.3 . . ?
C035 C036 H036 120.3 . . ?
O00D C037 H03F 110.9 . . ?
O00D C037 H03G 110.9 . . ?
O00D C037 C03B 104.2(3) . . ?
H03F C037 H03G 108.9 . . ?
C03B C037 H03F 110.9 . . ?
C03B C037 H03G 110.9 . . ?
C034 C038 H038 119.5 . . ?
C03A C038 C034 120.9(4) . . ?
C03A C038 H038 119.5 . . ?
C02W C039 H039 119.4 . . ?
C03A C039 C02W 121.2(4) . . ?
C03A C039 H039 119.4 . . ?
C038 C03A H03A 120.4 . . ?
C039 C03A C038 119.1(4) . . ?
C039 C03A H03A 120.4 . . ?
C031 C03B C037 101.7(3) . . ?
C031 C03B H03H 111.4 . . ?
C031 C03B H03I 111.4 . . ?
C037 C03B H03H 111.4 . . ?
C037 C03B H03I 111.4 . . ?
H03H C03B H03I 109.3 . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.000 0.000 571.0 106.3 ?
2 0.000 0.500 0.500 571.0 106.3 ?
3 0.500 0.500 0.500 58.4 0.0 ?
4 0.500 0.000 0.000 58.4 0.0 ?


_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_lmcdp100_0ma_a
_database_code_depnum_ccdc_archive 'CCDC 1814010'
_audit_update_record             
;
2018-01-31 deposited with the CCDC.
2018-02-15 downloaded from the CCDC.
;
_audit_creation_date             2018-01-31
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C52 H47 Ni P4, C2 H6 Al Cl2'
_chemical_formula_sum            'C54 H53 Al Cl2 Ni P4'
_chemical_formula_weight         982.43
_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'
Al Al 0.0645 0.0514 '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           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                   13.3928(6)
_cell_length_b                   20.9075(10)
_cell_length_c                   18.7057(11)
_cell_angle_alpha                90
_cell_angle_beta                 108.4890(10)
_cell_angle_gamma                90
_cell_volume                     4967.4(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9936
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      24.352
_cell_measurement_theta_min      2.261
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.680
_exptl_absorpt_correction_T_max  0.7451
_exptl_absorpt_correction_T_min  0.6697
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2014/5 (Bruker,2014/5) was used for absorption correction. wR2(int) was 0.1115 before and 0.0551 after correction. The Ratio of minimum to maximum transmission is 0.8988. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.314
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2048
_exptl_crystal_size_max          0.313
_exptl_crystal_size_mid          0.263
_exptl_crystal_size_min          0.211
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0519
_diffrn_reflns_av_unetI/netI     0.0301
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            26730
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        24.392
_diffrn_reflns_theta_max         24.392
_diffrn_reflns_theta_min         2.261
_diffrn_ambient_temperature      100.0
_diffrn_detector                 'Photon 100'
_diffrn_detector_area_resol_mean 10.4167
_diffrn_detector_type            'CMOS active pixel sensor'
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device       'fixed-chi goniometer'
_diffrn_measurement_device_type  'D8 Quest (Bruker AXS Inc.)'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'I\mS Microfocus Source'
_diffrn_source_type              'sealed tube'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3442
_reflns_number_total             4055
_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       'APEX3 v2016.1-0 (Bruker AXS)'
_computing_data_collection       'Bruker Instrument Service v3.0.26'
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.372
_refine_diff_density_min         -0.370
_refine_diff_density_rms         0.056
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     284
_refine_ls_number_reflns         4055
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0466
_refine_ls_R_factor_gt           0.0352
_refine_ls_restrained_S_all      1.047
_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)+(0.0269P)²+12.4370P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0741
_refine_ls_wR_factor_ref         0.0779
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Others
 Fixed Sof: H00V(0.5) H00W(0.5) H00X(0.5)
3.a Secondary CH2 refined with riding coordinates:
 C008(H00A,H00B)
3.b Aromatic/amide H refined with riding coordinates:
 C00C(H00C), C00D(H00D), C00E(H00E), C00F(H00F), C00G(H00G), C00H(H00H),
 C00I(H00I), C00J(H00J), C00K(H00K), C00L(H00L), C00M(H00M), C00N(H00N),
 C00O(H00O), C00P(H00P), C00Q(H00Q), C00R(H00R), C00S(H00S), C00T(H00T),
 C00U(H00U), C00W(H00Y)
3.c Idealised Me refined as rotating group:
 C00V(H00V,H00W,H00X), C00X(H00Z,H,HA)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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
Ni01 Ni 0.5000 0.86184(2) 0.7500 0.01307(12) Uani 1 2 d S T P . .
P02 P 0.40113(5) 0.86252(3) 0.63438(3) 0.01310(15) Uani 1 1 d . . . . .
P003 P 0.44647(5) 0.72803(3) 0.66710(3) 0.01223(15) Uani 1 1 d . . . . .
Cl04 Cl 0.37736(5) 0.36612(3) 0.67983(4) 0.02744(17) Uani 1 1 d . . . . .
Al00 Al 0.5000 0.30294(5) 0.7500 0.0241(3) Uani 1 2 d S T P . .
C006 C 0.38614(19) 0.65150(11) 0.67327(13) 0.0150(5) Uani 1 1 d . . . . .
C007 C 0.5000 0.76767(15) 0.7500 0.0128(7) Uani 1 2 d S T P . .
C008 C 0.34596(19) 0.78154(11) 0.60956(13) 0.0152(5) Uani 1 1 d . . . . .
H00A H 0.2793 0.7767 0.6213 0.018 Uiso 1 1 calc R . . . .
H00B H 0.3323 0.7728 0.5553 0.018 Uiso 1 1 calc R . . . .
C009 C 0.53167(19) 0.71357(11) 0.61033(13) 0.0157(5) Uani 1 1 d . . . . .
C00A C 0.46954(19) 0.87952(11) 0.56680(13) 0.0153(5) Uani 1 1 d . . . . .
C00B C 0.28451(19) 0.91308(11) 0.60874(13) 0.0153(5) Uani 1 1 d . . . . .
C00C C 0.4939(2) 0.68211(13) 0.54063(14) 0.0233(6) Uani 1 1 d . . . . .
H00C H 0.4227 0.6683 0.5227 0.028 Uiso 1 1 calc R . . . .
C00D C 0.2167(2) 0.90697(12) 0.65121(15) 0.0221(6) Uani 1 1 d . . . . .
H00D H 0.2311 0.8760 0.6904 0.027 Uiso 1 1 calc R . . . .
C00E C 0.2998(2) 0.64982(13) 0.69929(15) 0.0234(6) Uani 1 1 d . . . . .
H00E H 0.2699 0.6887 0.7092 0.028 Uiso 1 1 calc R . . . .
C00F C 0.6351(2) 0.73477(13) 0.63477(14) 0.0219(6) Uani 1 1 d . . . . .
H00F H 0.6613 0.7572 0.6811 0.026 Uiso 1 1 calc R . . . .
C00G C 0.5730(2) 0.90045(13) 0.59355(15) 0.0233(6) Uani 1 1 d . . . . .
H00G H 0.6061 0.9059 0.6462 0.028 Uiso 1 1 calc R . . . .
C00H C 0.7006(2) 0.72320(14) 0.59161(16) 0.0299(7) Uani 1 1 d . . . . .
H00H H 0.7715 0.7375 0.6087 0.036 Uiso 1 1 calc R . . . .
C00I C 0.2631(2) 0.95927(13) 0.55243(15) 0.0245(6) Uani 1 1 d . . . . .
H00I H 0.3085 0.9641 0.5228 0.029 Uiso 1 1 calc R . . . .
C00J C 0.2986(2) 0.53521(13) 0.69539(15) 0.0248(6) Uani 1 1 d . . . . .
H00J H 0.2680 0.4956 0.7020 0.030 Uiso 1 1 calc R . . . .
C00K C 0.4222(2) 0.87183(13) 0.48907(15) 0.0255(6) Uani 1 1 d . . . . .
H00K H 0.3512 0.8579 0.4697 0.031 Uiso 1 1 calc R . . . .
C00L C 0.5594(2) 0.67111(13) 0.49792(15) 0.0268(6) Uani 1 1 d . . . . .
H00L H 0.5333 0.6499 0.4507 0.032 Uiso 1 1 calc R . . . .
C00M C 0.5818(2) 0.90501(14) 0.46784(16) 0.0285(7) Uani 1 1 d . . . . .
H00M H 0.6204 0.9133 0.4341 0.034 Uiso 1 1 calc R . . . .
C00N C 0.4285(2) 0.59391(12) 0.65941(17) 0.0273(6) Uani 1 1 d . . . . .
H00N H 0.4882 0.5940 0.6423 0.033 Uiso 1 1 calc R . . . .
C00O C 0.6632(2) 0.69109(13) 0.52422(16) 0.0285(7) Uani 1 1 d . . . . .
H00O H 0.7089 0.6826 0.4955 0.034 Uiso 1 1 calc R . . . .
C00P C 0.1285(2) 0.94533(13) 0.63718(15) 0.0250(6) Uani 1 1 d . . . . .
H00P H 0.0818 0.9401 0.6658 0.030 Uiso 1 1 calc R . . . .
C00Q C 0.1085(2) 0.99126(13) 0.58151(15) 0.0261(6) Uani 1 1 d . . . . .
H00Q H 0.0484 1.0181 0.5722 0.031 Uiso 1 1 calc R . . . .
C00R C 0.2569(2) 0.59205(13) 0.71095(16) 0.0282(7) Uani 1 1 d . . . . .
H00R H 0.1988 0.5915 0.7297 0.034 Uiso 1 1 calc R . . . .
C00S C 0.4786(2) 0.88458(14) 0.44046(16) 0.0308(7) Uani 1 1 d . . . . .
H00S H 0.4462 0.8792 0.3877 0.037 Uiso 1 1 calc R . . . .
C00T C 0.6285(2) 0.91342(14) 0.54410(16) 0.0307(7) Uani 1 1 d . . . . .
H00T H 0.6991 0.9282 0.5629 0.037 Uiso 1 1 calc R . . . .
C00U C 0.1755(2) 0.99827(14) 0.53957(16) 0.0305(7) Uani 1 1 d . . . . .
H00U H 0.1616 1.0301 0.5014 0.037 Uiso 1 1 calc R . . . .
C00V C 0.5000 0.95685(18) 0.7500 0.0297(10) Uani 1 2 d S T P . .
H00V H 0.5130 0.9725 0.7043 0.045 Uiso 0.5 1 calc GR . . A -1
H00W H 0.5555 0.9725 0.7945 0.045 Uiso 0.5 1 calc GR . . A -1
H00X H 0.4315 0.9725 0.7511 0.045 Uiso 0.5 1 calc GR . . A -1
C00W C 0.3843(2) 0.53637(13) 0.67032(17) 0.0315(7) Uani 1 1 d . . . . .
H00Y H 0.4136 0.4973 0.6603 0.038 Uiso 1 1 calc R . . . .
C00X C 0.5654(3) 0.25360(16) 0.68664(19) 0.0486(10) Uani 1 1 d . . . . .
H00Z H 0.5102 0.2345 0.6444 0.073 Uiso 1 1 calc GR . . . .
H H 0.6096 0.2197 0.7169 0.073 Uiso 1 1 calc GR . . . .
HA H 0.6088 0.2821 0.6672 0.073 Uiso 1 1 calc GR . . . .


_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
Ni01 P02 2.1482(6) . ?
Ni01 P02 2.1483(6) 2_656 ?
Ni01 C007 1.969(3) . ?
Ni01 C00V 1.986(4) . ?
P02 C008 1.847(2) . ?
P02 C00A 1.816(2) . ?
P02 C00B 1.820(2) . ?
P003 C006 1.812(2) . ?
P003 C007 1.7031(16) . ?
P003 C008 1.818(2) . ?
P003 C009 1.814(2) . ?
Cl04 Al00 2.1905(9) . ?
Al00 Cl04 2.1905(9) 2_656 ?
Al00 C00X 1.973(3) 2_656 ?
Al00 C00X 1.973(3) . ?
C006 C00E 1.390(4) . ?
C006 C00N 1.390(4) . ?
C007 P003 1.7031(16) 2_656 ?
C008 H00A 0.9900 . ?
C008 H00B 0.9900 . ?
C009 C00C 1.404(3) . ?
C009 C00F 1.387(4) . ?
C00A C00G 1.386(4) . ?
C00A C00K 1.399(4) . ?
C00B C00D 1.390(4) . ?
C00B C00I 1.390(4) . ?
C00C H00C 0.9500 . ?
C00C C00L 1.380(4) . ?
C00D H00D 0.9500 . ?
C00D C00P 1.382(4) . ?
C00E H00E 0.9500 . ?
C00E C00R 1.384(4) . ?
C00F H00F 0.9500 . ?
C00F C00H 1.388(4) . ?
C00G H00G 0.9500 . ?
C00G C00T 1.384(4) . ?
C00H H00H 0.9500 . ?
C00H C00O 1.375(4) . ?
C00I H00I 0.9500 . ?
C00I C00U 1.386(4) . ?
C00J H00J 0.9500 . ?
C00J C00R 1.383(4) . ?
C00J C00W 1.370(4) . ?
C00K H00K 0.9500 . ?
C00K C00S 1.380(4) . ?
C00L H00L 0.9500 . ?
C00L C00O 1.385(4) . ?
C00M H00M 0.9500 . ?
C00M C00S 1.380(4) . ?
C00M C00T 1.375(4) . ?
C00N H00N 0.9500 . ?
C00N C00W 1.384(4) . ?
C00O H00O 0.9500 . ?
C00P H00P 0.9500 . ?
C00P C00Q 1.379(4) . ?
C00Q H00Q 0.9500 . ?
C00Q C00U 1.373(4) . ?
C00R H00R 0.9500 . ?
C00S H00S 0.9500 . ?
C00T H00T 0.9500 . ?
C00U H00U 0.9500 . ?
C00V H00V 0.9800 . ?
C00V H00W 0.9800 . ?
C00V H00X 0.9800 . ?
C00W H00Y 0.9500 . ?
C00X H00Z 0.9800 . ?
C00X H 0.9800 . ?
C00X HA 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
P02 Ni01 P02 179.24(4) . 2_656 ?
C007 Ni01 P02 90.38(2) . . ?
C007 Ni01 P02 90.38(2) . 2_656 ?
C007 Ni01 C00V 180.0 . . ?
C00V Ni01 P02 89.62(2) . . ?
C00V Ni01 P02 89.62(2) . 2_656 ?
C008 P02 Ni01 108.46(8) . . ?
C00A P02 Ni01 114.59(8) . . ?
C00A P02 C008 104.73(11) . . ?
C00A P02 C00B 106.45(11) . . ?
C00B P02 Ni01 118.21(8) . . ?
C00B P02 C008 102.99(11) . . ?
C006 P003 C008 108.65(11) . . ?
C006 P003 C009 105.43(11) . . ?
C007 P003 C006 116.05(12) . . ?
C007 P003 C008 104.98(11) . . ?
C007 P003 C009 116.92(9) . . ?
C009 P003 C008 103.95(11) . . ?
Cl04 Al00 Cl04 105.83(6) 2_656 . ?
C00X Al00 Cl04 110.28(10) 2_656 2_656 ?
C00X Al00 Cl04 106.50(11) 2_656 . ?
C00X Al00 Cl04 110.28(10) . . ?
C00X Al00 Cl04 106.50(11) . 2_656 ?
C00X Al00 C00X 117.0(2) . 2_656 ?
C00E C006 P003 118.79(19) . . ?
C00E C006 C00N 118.5(2) . . ?
C00N C006 P003 122.4(2) . . ?
P003 C007 Ni01 119.12(10) . . ?
P003 C007 Ni01 119.13(10) 2_656 . ?
P003 C007 P003 121.75(19) . 2_656 ?
P02 C008 H00A 110.8 . . ?
P02 C008 H00B 110.8 . . ?
P003 C008 P02 104.67(12) . . ?
P003 C008 H00A 110.8 . . ?
P003 C008 H00B 110.8 . . ?
H00A C008 H00B 108.9 . . ?
C00C C009 P003 120.9(2) . . ?
C00F C009 P003 120.14(19) . . ?
C00F C009 C00C 119.0(2) . . ?
C00G C00A P02 118.53(19) . . ?
C00G C00A C00K 118.9(2) . . ?
C00K C00A P02 122.6(2) . . ?
C00D C00B P02 117.26(19) . . ?
C00D C00B C00I 118.8(2) . . ?
C00I C00B P02 123.9(2) . . ?
C009 C00C H00C 119.7 . . ?
C00L C00C C009 120.5(3) . . ?
C00L C00C H00C 119.7 . . ?
C00B C00D H00D 119.6 . . ?
C00P C00D C00B 120.8(2) . . ?
C00P C00D H00D 119.6 . . ?
C006 C00E H00E 119.7 . . ?
C00R C00E C006 120.7(3) . . ?
C00R C00E H00E 119.7 . . ?
C009 C00F H00F 119.9 . . ?
C009 C00F C00H 120.1(2) . . ?
C00H C00F H00F 119.9 . . ?
C00A C00G H00G 119.8 . . ?
C00T C00G C00A 120.5(3) . . ?
C00T C00G H00G 119.8 . . ?
C00F C00H H00H 119.8 . . ?
C00O C00H C00F 120.3(3) . . ?
C00O C00H H00H 119.8 . . ?
C00B C00I H00I 120.0 . . ?
C00U C00I C00B 120.0(3) . . ?
C00U C00I H00I 120.0 . . ?
C00R C00J H00J 120.2 . . ?
C00W C00J H00J 120.2 . . ?
C00W C00J C00R 119.6(3) . . ?
C00A C00K H00K 120.0 . . ?
C00S C00K C00A 120.0(3) . . ?
C00S C00K H00K 120.0 . . ?
C00C C00L H00L 120.2 . . ?
C00C C00L C00O 119.7(3) . . ?
C00O C00L H00L 120.2 . . ?
C00S C00M H00M 120.1 . . ?
C00T C00M H00M 120.1 . . ?
C00T C00M C00S 119.8(3) . . ?
C006 C00N H00N 119.8 . . ?
C00W C00N C006 120.4(3) . . ?
C00W C00N H00N 119.8 . . ?
C00H C00O C00L 120.4(3) . . ?
C00H C00O H00O 119.8 . . ?
C00L C00O H00O 119.8 . . ?
C00D C00P H00P 120.1 . . ?
C00Q C00P C00D 119.8(3) . . ?
C00Q C00P H00P 120.1 . . ?
C00P C00Q H00Q 120.0 . . ?
C00U C00Q C00P 120.0(3) . . ?
C00U C00Q H00Q 120.0 . . ?
C00E C00R H00R 119.9 . . ?
C00J C00R C00E 120.1(3) . . ?
C00J C00R H00R 119.9 . . ?
C00K C00S H00S 119.7 . . ?
C00M C00S C00K 120.5(3) . . ?
C00M C00S H00S 119.7 . . ?
C00G C00T H00T 119.9 . . ?
C00M C00T C00G 120.3(3) . . ?
C00M C00T H00T 119.9 . . ?
C00I C00U H00U 119.7 . . ?
C00Q C00U C00I 120.5(3) . . ?
C00Q C00U H00U 119.7 . . ?
Ni01 C00V H00V 109.5 . . ?
Ni01 C00V H00W 109.5 . . ?
Ni01 C00V H00X 109.5 . . ?
H00V C00V H00W 109.5 . . ?
H00V C00V H00X 109.5 . . ?
H00W C00V H00X 109.5 . . ?
C00J C00W C00N 120.6(3) . . ?
C00J C00W H00Y 119.7 . . ?
C00N C00W H00Y 119.7 . . ?
Al00 C00X H00Z 109.5 . . ?
Al00 C00X H 109.5 . . ?
Al00 C00X HA 109.5 . . ?
H00Z C00X H 109.5 . . ?
H00Z C00X HA 109.5 . . ?
H C00X HA 109.5 . . ?

_audit_contact_author            'L. Maser'
_olex2_diffrn_ambient_temperature_device 'Oxford Cryosystems'
_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_intp-1
_database_code_depnum_ccdc_archive 'CCDC 1814008'
_audit_update_record             
;
2018-01-31 deposited with the CCDC.
2018-02-15 downloaded from the CCDC.
;
_audit_creation_date             2018-01-31
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C102 H86 Ni2 P8, 2(Cl), 2.5(C H2 Cl2)'
_chemical_formula_sum            'C104.5 H91 Cl7 Ni2 P8'
_chemical_formula_weight         1960.10
_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      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                   13.590(3)
_cell_length_b                   17.439(4)
_cell_length_c                   22.442(5)
_cell_angle_alpha                88.48(3)
_cell_angle_beta                 72.40(3)
_cell_angle_gamma                67.39(3)
_cell_volume                     4656(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    734
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      25.20
_cell_measurement_theta_min      2.095
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.791
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'dark red'
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.398
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             2026
_exptl_crystal_size_max          0.604
_exptl_crystal_size_mid          0.223
_exptl_crystal_size_min          0.194
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1289
_diffrn_reflns_av_unetI/netI     0.1069
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.979
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            41177
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.979
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         26.800
_diffrn_reflns_theta_min         1.675
_diffrn_ambient_temperature      100.0
_diffrn_detector                 'image plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  IPDS2
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                13700
_reflns_number_total             19516
_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       'STOE X-AREA'
_computing_data_collection       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.431
_refine_diff_density_min         -0.933
_refine_diff_density_rms         0.101
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.949
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1111
_refine_ls_number_reflns         19516
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0931
_refine_ls_R_factor_gt           0.0641
_refine_ls_restrained_S_all      0.949
_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)+(0.0940P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1508
_refine_ls_wR_factor_ref         0.1638
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C1) = Uanis(Cl2) = Uanis(Cl17)
Uanis(Cl1A) = Uanis(C9) = Uanis(Cl53)
3. Others
 Fixed Sof: Cl2(0.5) Cl17(0.5) Cl21(0.5) Cl53(0.5) Cl19(0.5) C3(0.5) H3A(0.5)
 H3B(0.5) C1(0.5) H1A(0.5) H1B(0.5) Cl1A(0.5) C9(0.5) H9A(0.5) H9B(0.5)
4.a Ternary CH refined with riding coordinates:
 C8(H8), C23(H23)
4.b Secondary CH2 refined with riding coordinates:
 C39(H39A,H39B), C117(H11A,H11B), C171(H17A,H17B), C3(H3A,H3B), C1(H1A,H1B),
 C9(H9A,H9B)
4.c Aromatic/amide H refined with riding coordinates:
 C30(H30), C32(H32), C42(H42), C43(H43), C47(H47), C49(H49), C55(H55),
 C58(H58), C61(H61), C65(H65), C68(H68), C70(H70), C71(H71), C74(H74), C77(H77),
  C79(H79), C84(H84), C85(H85), C88(H88), C92(H92), C94(H94), C96(H96),
 C97(H97), C99(H99), C101(H101), C104(H104), C105(H105), C108(H108), C109(H109),
  C111(H111), C114(H114), C115(H115), C120(H120), C122(H122), C124(H124),
 C125(H125), C127(H127), C130(H130), C131(H131), C134(H134), C136(H136),
 C138(H138), C139(H139), C142(H142), C144(H144), C146(H146), C147(H147),
 C149(H149), C152(H152), C154(H154), C156(H156), C157(H157), C159(H159),
 C162(H162), C163(H163), C166(H166), C168(H168), C169(H169), C173(H173),
 C176(H176), C177(H177), C180(H180), C182(H182), C184(H184), C185(H185),
 C187(H187), C190(H190), C192(H192), C194(H194), C195(H195), C199(H199),
 C202(H202), C204(H204), C206(H206), C208(H208), C210(H210), C211(H211),
 C214(H214), C215(H215), C218(H218)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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 0.12846(4) 0.39391(3) 0.71373(2) 0.02481(11) Uani 1 1 d . . . . .
Ni4 Ni 0.26820(4) 0.16513(3) 0.76949(2) 0.02475(11) Uani 1 1 d . . . . .
P1 P 0.35809(8) 0.23593(5) 0.71116(4) 0.02595(18) Uani 1 1 d . . . . .
P3 P 0.14337(8) 0.20434(5) 0.88934(4) 0.02560(18) Uani 1 1 d . . . . .
P5 P 0.35930(8) 0.03372(6) 0.72332(4) 0.02730(19) Uani 1 1 d . . . . .
P7 P 0.06442(7) 0.34310(5) 0.80009(4) 0.02548(18) Uani 1 1 d . . . . .
P9 P 0.31692(8) 0.41490(5) 0.66109(4) 0.02609(18) Uani 1 1 d . . . . .
P11 P -0.03021(8) 0.47294(6) 0.69741(4) 0.02696(19) Uani 1 1 d . . . . .
P14 P 0.23561(8) 0.01622(5) 0.85028(4) 0.02750(19) Uani 1 1 d . . . . .
P16 P 0.13680(8) 0.48981(6) 0.58804(4) 0.02742(19) Uani 1 1 d . . . . .
Cl18 Cl 0.08375(9) 0.24298(6) 0.57271(5) 0.0409(2) Uani 1 1 d . . . . .
Cl20 Cl 0.62153(9) -0.07493(6) 0.83953(5) 0.0413(2) Uani 1 1 d . . . . .
Cl0A Cl -0.48756(13) 0.73845(8) 0.78523(8) 0.0688(4) Uani 1 1 d . . . . .
Cl4 Cl -0.50835(16) 0.72043(14) 0.91786(9) 0.0940(6) Uani 1 1 d . . . . .
Cl2 Cl 0.8174(3) 0.1203(3) 0.63577(19) 0.0883(7) Uani 0.5 1 d . . P A -1
C4 C 0.1893(3) 0.1188(2) 0.83868(16) 0.0302(7) Uani 1 1 d . . . . .
C8 C 0.1707(3) 0.2700(2) 0.82959(15) 0.0259(7) Uani 1 1 d . . . . .
H8 H 0.2183 0.2972 0.8384 0.031 Uiso 1 1 calc R . . . .
C10 C 0.2019(3) 0.4361(2) 0.63892(16) 0.0281(7) Uani 1 1 d . . . . .
C11 C -0.0198(3) 0.4307(2) 0.86165(16) 0.0296(7) Uani 1 1 d . . . . .
C13 C -0.0232(3) 0.2892(2) 0.79339(17) 0.0284(7) Uani 1 1 d . . . . .
C16 C 0.2484(3) -0.0074(2) 0.92728(16) 0.0306(8) Uani 1 1 d . . . . .
Cl17 Cl 0.9765(3) 0.0466(3) 0.51451(18) 0.0883(7) Uani 0.5 1 d . . P A -1
C20 C -0.1631(3) 0.4590(2) 0.71777(17) 0.0294(7) Uani 1 1 d . . . . .
Cl21 Cl 0.3864(4) 0.4678(3) 0.8918(2) 0.1179(17) Uani 0.5 1 d . . P . .
C23 C 0.2853(3) 0.3486(2) 0.71929(16) 0.0262(7) Uani 1 1 d . . . . .
H23 H 0.2827 0.3712 0.7605 0.031 Uiso 1 1 calc R . . . .
C25 C 0.2233(3) 0.2015(2) 0.94236(17) 0.0303(7) Uani 1 1 d . . . . .
C28 C 0.1008(3) 0.6019(2) 0.59136(17) 0.0294(7) Uani 1 1 d . . . . .
C30 C 0.3468(3) -0.0192(2) 0.94129(18) 0.0362(8) Uani 1 1 d . . . . .
H30 H 0.4121 -0.0218 0.9087 0.043 Uiso 1 1 calc R . . . .
C32 C 0.4606(3) 0.3659(2) 0.53813(17) 0.0327(8) Uani 1 1 d . . . . .
H32 H 0.3945 0.3751 0.5277 0.039 Uiso 1 1 calc R . . . .
C34 C 0.2836(3) -0.0030(2) 0.68328(17) 0.0311(7) Uani 1 1 d . . . . .
C35 C -0.0736(3) 0.5808(2) 0.72838(17) 0.0299(7) Uani 1 1 d . . . . .
C37 C 0.4234(3) 0.2053(2) 0.62739(16) 0.0298(7) Uani 1 1 d . . . . .
C39 C 0.3702(3) -0.0301(2) 0.78997(17) 0.0315(8) Uani 1 1 d . . . . .
H39A H 0.3867 -0.0888 0.7772 0.038 Uiso 1 1 calc R . . . .
H39B H 0.4308 -0.0290 0.8053 0.038 Uiso 1 1 calc R . . . .
C42 C 0.5522(3) 0.3618(2) 0.61537(18) 0.0321(8) Uani 1 1 d . . . . .
H42 H 0.5483 0.3694 0.6579 0.038 Uiso 1 1 calc R . . . .
C43 C -0.1509(3) 0.6475(2) 0.70860(19) 0.0336(8) Uani 1 1 d . . . . .
H43 H -0.1799 0.6373 0.6775 0.040 Uiso 1 1 calc R . . . .
C46 C 0.0016(3) 0.2397(2) 0.94403(16) 0.0288(7) Uani 1 1 d . . . . .
C47 C -0.0647(4) 0.6785(2) 0.79883(19) 0.0383(9) Uani 1 1 d . . . . .
H47 H -0.0345 0.6890 0.8293 0.046 Uiso 1 1 calc R . . . .
C49 C 0.1203(3) 0.6409(2) 0.63705(17) 0.0317(8) Uani 1 1 d . . . . .
H49 H 0.1574 0.6081 0.6643 0.038 Uiso 1 1 calc R . . . .
C51 C 0.2069(3) 0.4504(2) 0.50530(16) 0.0293(7) Uani 1 1 d . . . . .
Cl53 Cl 0.8801(4) 0.0048(2) 0.6705(2) 0.0943(8) Uani 0.5 1 d . . P B -2
C55 C -0.1342(3) 0.4765(2) 0.87299(18) 0.0374(9) Uani 1 1 d . . . . .
H55 H -0.1745 0.4577 0.8529 0.045 Uiso 1 1 calc R . . . .
C58 C -0.1692(3) 0.2186(3) 0.9940(2) 0.0402(9) Uani 1 1 d . . . . .
H58 H -0.2115 0.1849 0.9992 0.048 Uiso 1 1 calc R . . . .
C59 C 0.4717(3) 0.2175(2) 0.74559(17) 0.0314(8) Uani 1 1 d . . . . .
C61 C -0.0617(3) 0.1908(2) 0.95099(18) 0.0329(8) Uani 1 1 d . . . . .
H61 H -0.0310 0.1387 0.9263 0.039 Uiso 1 1 calc R . . . .
C64 C 0.5008(3) -0.0146(2) 0.66624(17) 0.0308(7) Uani 1 1 d . . . . .
C65 C -0.1207(3) 0.2920(2) 0.83975(18) 0.0318(8) Uani 1 1 d . . . . .
H65 H -0.1480 0.3257 0.8785 0.038 Uiso 1 1 calc R . . . .
C68 C 0.5148(3) -0.0059(2) 0.60230(18) 0.0332(8) Uani 1 1 d . . . . .
H68 H 0.4513 0.0255 0.5896 0.040 Uiso 1 1 calc R . . . .
C70 C 0.0381(4) 0.4607(2) 0.89110(18) 0.0344(8) Uani 1 1 d . . . . .
H70 H 0.1163 0.4304 0.8838 0.041 Uiso 1 1 calc R . . . .
C71 C 0.0149(3) 0.2402(2) 0.73650(17) 0.0312(8) Uani 1 1 d . . . . .
H71 H 0.0803 0.2387 0.7046 0.037 Uiso 1 1 calc R . . . .
C74 C 0.3519(3) 0.2117(2) 0.59224(18) 0.0342(8) Uani 1 1 d . . . . .
H74 H 0.2730 0.2320 0.6122 0.041 Uiso 1 1 calc R . . . .
C76 C 0.1473(3) -0.0341(2) 0.83790(18) 0.0327(8) Uani 1 1 d . . . . .
C77 C 0.2935(3) -0.0856(2) 0.68248(18) 0.0364(8) Uani 1 1 d . . . . .
H77 H 0.3354 -0.1232 0.7058 0.044 Uiso 1 1 calc R . . . .
C79 C -0.0449(3) 0.3161(2) 0.98034(17) 0.0328(8) Uani 1 1 d . . . . .
H79 H -0.0021 0.3491 0.9765 0.039 Uiso 1 1 calc R . . . .
C82 C 0.4537(3) 0.3768(2) 0.60056(17) 0.0292(7) Uani 1 1 d . . . . .
C84 C -0.2149(4) 0.2951(3) 1.0293(2) 0.0444(10) Uani 1 1 d . . . . .
H84 H -0.2887 0.3139 1.0585 0.053 Uiso 1 1 calc R . . . .
C85 C 0.0325(3) 0.7750(2) 0.6031(2) 0.0395(9) Uani 1 1 d . . . . .
H85 H 0.0093 0.8340 0.6072 0.047 Uiso 1 1 calc R . . . .
C88 C 0.2609(3) 0.4921(2) 0.46308(18) 0.0350(8) Uani 1 1 d . . . . .
H88 H 0.2562 0.5451 0.4763 0.042 Uiso 1 1 calc R . . . .
C90 C 0.3223(3) 0.5027(2) 0.70184(17) 0.0303(7) Uani 1 1 d . . . . .
C92 C 0.5388(3) 0.1751(2) 0.59810(18) 0.0356(8) Uani 1 1 d . . . . .
H92 H 0.5874 0.1701 0.6221 0.043 Uiso 1 1 calc R . . . .
C94 C 0.1823(4) 0.1883(2) 1.00598(18) 0.0364(8) Uani 1 1 d . . . . .
H94 H 0.1099 0.1869 1.0222 0.044 Uiso 1 1 calc R . . . .
C96 C 0.2593(3) 0.5295(2) 0.76479(18) 0.0352(8) Uani 1 1 d . . . . .
H96 H 0.2185 0.4992 0.7884 0.042 Uiso 1 1 calc R . . . .
C97 C 0.6603(3) 0.3269(3) 0.50596(19) 0.0396(9) Uani 1 1 d . . . . .
H97 H 0.7304 0.3107 0.4736 0.048 Uiso 1 1 calc R . . . .
C99 C 0.0453(3) 0.6511(2) 0.55092(18) 0.0347(8) Uani 1 1 d . . . . .
H99 H 0.0304 0.6255 0.5197 0.042 Uiso 1 1 calc R . . . .
C101 C 0.0864(3) 0.7270(2) 0.64360(19) 0.0351(8) Uani 1 1 d . . . . .
H101 H 0.0998 0.7530 0.6753 0.042 Uiso 1 1 calc R . . . .
C104 C 0.2246(3) 0.0513(2) 0.64764(18) 0.0357(8) Uani 1 1 d . . . . .
H104 H 0.2186 0.1074 0.6476 0.043 Uiso 1 1 calc R . . . .
C105 C 0.6191(4) -0.0421(2) 0.55749(18) 0.0369(9) Uani 1 1 d . . . . .
H105 H 0.6264 -0.0361 0.5143 0.044 Uiso 1 1 calc R . . . .
C108 C 0.6552(3) 0.3358(2) 0.56835(19) 0.0367(8) Uani 1 1 d . . . . .
H108 H 0.7220 0.3242 0.5787 0.044 Uiso 1 1 calc R . . . .
C109 C -0.1420(4) 0.7441(2) 0.7797(2) 0.0394(9) Uani 1 1 d . . . . .
H109 H -0.1657 0.7997 0.7973 0.047 Uiso 1 1 calc R . . . .
C111 C -0.0316(3) 0.5974(2) 0.77342(18) 0.0332(8) Uani 1 1 d . . . . .
H111 H 0.0207 0.5526 0.7871 0.040 Uiso 1 1 calc R . . . .
C114 C 0.5635(4) 0.3416(3) 0.49082(19) 0.0390(9) Uani 1 1 d . . . . .
H114 H 0.5674 0.3350 0.4482 0.047 Uiso 1 1 calc R . . . .
C115 C 0.4867(3) 0.2815(2) 0.7726(2) 0.0377(9) Uani 1 1 d . . . . .
H115 H 0.4481 0.3379 0.7663 0.045 Uiso 1 1 calc R . . . .
C117 C 0.0050(3) 0.4757(2) 0.61154(16) 0.0304(7) Uani 1 1 d . . . . .
H11A H 0.0142 0.4228 0.5908 0.037 Uiso 1 1 calc R . . . .
H11B H -0.0543 0.5226 0.6007 0.037 Uiso 1 1 calc R . . . .
C120 C -0.1847(3) 0.7282(2) 0.7347(2) 0.0392(9) Uani 1 1 d . . . . .
H120 H -0.2377 0.7732 0.7215 0.047 Uiso 1 1 calc R . . . .
C122 C -0.1544(3) 0.3445(3) 1.02256(19) 0.0388(9) Uani 1 1 d . . . . .
H122 H -0.1867 0.3974 1.0464 0.047 Uiso 1 1 calc R . . . .
C124 C -0.2625(3) 0.5157(2) 0.76028(18) 0.0346(8) Uani 1 1 d . . . . .
H124 H -0.2621 0.5634 0.7796 0.042 Uiso 1 1 calc R . . . .
C125 C 0.3798(3) 0.5497(2) 0.6681(2) 0.0367(8) Uani 1 1 d . . . . .
H125 H 0.4216 0.5329 0.6249 0.044 Uiso 1 1 calc R . . . .
C127 C -0.0425(3) 0.1934(2) 0.7264(2) 0.0371(8) Uani 1 1 d . . . . .
H127 H -0.0161 0.1595 0.6879 0.044 Uiso 1 1 calc R . . . .
C130 C 0.1524(3) -0.0030(2) 0.97620(18) 0.0352(8) Uani 1 1 d . . . . .
H130 H 0.0852 0.0052 0.9673 0.042 Uiso 1 1 calc R . . . .
C131 C 0.1743(4) 0.0233(3) 0.6120(2) 0.0438(10) Uani 1 1 d . . . . .
H131 H 0.1346 0.0601 0.5874 0.053 Uiso 1 1 calc R . . . .
C134 C 0.3971(4) 0.1883(2) 0.52766(19) 0.0396(9) Uani 1 1 d . . . . .
H134 H 0.3486 0.1934 0.5035 0.048 Uiso 1 1 calc R . . . .
C136 C -0.3618(3) 0.4331(3) 0.74720(19) 0.0379(9) Uani 1 1 d . . . . .
H136 H -0.4296 0.4244 0.7571 0.045 Uiso 1 1 calc R . . . .
C138 C 0.7005(4) -0.0952(3) 0.6374(2) 0.0509(12) Uani 1 1 d . . . . .
H138 H 0.7650 -0.1259 0.6494 0.061 Uiso 1 1 calc R . . . .
C139 C -0.1647(3) 0.3887(2) 0.68996(18) 0.0327(8) Uani 1 1 d . . . . .
H139 H -0.0984 0.3499 0.6605 0.039 Uiso 1 1 calc R . . . .
C142 C -0.3611(3) 0.5034(3) 0.7745(2) 0.0387(9) Uani 1 1 d . . . . .
H142 H -0.4284 0.5428 0.8030 0.046 Uiso 1 1 calc R . . . .
C144 C 0.2125(3) 0.3728(2) 0.48584(18) 0.0342(8) Uani 1 1 d . . . . .
H144 H 0.1751 0.3442 0.5146 0.041 Uiso 1 1 calc R . . . .
C146 C 0.3910(4) 0.1957(3) 0.9604(2) 0.0542(12) Uani 1 1 d . . . . .
H146 H 0.4620 0.1997 0.9452 0.065 Uiso 1 1 calc R . . . .
C147 C 0.5833(4) 0.1521(3) 0.53333(19) 0.0400(9) Uani 1 1 d . . . . .
H147 H 0.6621 0.1327 0.5132 0.048 Uiso 1 1 calc R . . . .
C149 C 0.7128(4) -0.0869(3) 0.5749(2) 0.0475(11) Uani 1 1 d . . . . .
H149 H 0.7847 -0.1115 0.5441 0.057 Uiso 1 1 calc R . . . .
C152 C -0.0187(4) 0.5347(3) 0.93083(19) 0.0457(10) Uani 1 1 d . . . . .
H152 H 0.0213 0.5549 0.9501 0.055 Uiso 1 1 calc R . . . .
C154 C -0.1767(3) 0.2454(3) 0.8287(2) 0.0393(9) Uani 1 1 d . . . . .
H154 H -0.2427 0.2471 0.8601 0.047 Uiso 1 1 calc R . . . .
C156 C 0.2528(4) -0.0224(3) 1.05059(19) 0.0434(10) Uani 1 1 d . . . . .
H156 H 0.2543 -0.0274 1.0926 0.052 Uiso 1 1 calc R . . . .
C157 C 0.5584(4) 0.2627(3) 0.8091(2) 0.0439(10) Uani 1 1 d . . . . .
H157 H 0.5691 0.3065 0.8270 0.053 Uiso 1 1 calc R . . . .
C159 C 0.3289(4) 0.2046(3) 0.9201(2) 0.0461(10) Uani 1 1 d . . . . .
H159 H 0.3581 0.2128 0.8774 0.055 Uiso 1 1 calc R . . . .
C162 C 0.1625(4) -0.1146(3) 0.8537(2) 0.0438(10) Uani 1 1 d . . . . .
H162 H 0.2176 -0.1437 0.8731 0.053 Uiso 1 1 calc R . . . .
C163 C 0.1826(4) -0.0585(3) 0.6126(2) 0.0462(10) Uani 1 1 d . . . . .
H163 H 0.1474 -0.0775 0.5891 0.055 Uiso 1 1 calc R . . . .
C166 C -0.2648(4) 0.3762(3) 0.70593(19) 0.0372(9) Uani 1 1 d . . . . .
H166 H -0.2657 0.3278 0.6880 0.045 Uiso 1 1 calc R . . . .
C168 C 0.2563(4) 0.6013(3) 0.7931(2) 0.0444(10) Uani 1 1 d . . . . .
H168 H 0.2128 0.6195 0.8360 0.053 Uiso 1 1 calc R . . . .
C169 C 0.3217(3) 0.4573(3) 0.40170(18) 0.0381(9) Uani 1 1 d . . . . .
H169 H 0.3590 0.4859 0.3730 0.046 Uiso 1 1 calc R . . . .
C171 C -0.4394(5) 0.7510(3) 0.8478(3) 0.0572(12) Uani 1 1 d . . . . .
H17A H -0.3576 0.7172 0.8362 0.069 Uiso 1 1 calc R . . . .
H17B H -0.4519 0.8103 0.8547 0.069 Uiso 1 1 calc R . . . .
C173 C 0.5330(4) 0.1360(3) 0.7539(2) 0.0431(10) Uani 1 1 d . . . . .
H173 H 0.5267 0.0916 0.7339 0.052 Uiso 1 1 calc R . . . .
C176 C 0.3276(3) 0.3804(3) 0.38249(18) 0.0382(9) Uani 1 1 d . . . . .
H176 H 0.3691 0.3564 0.3404 0.046 Uiso 1 1 calc R . . . .
C177 C 0.0649(3) 0.0088(3) 0.81021(18) 0.0372(8) Uani 1 1 d . . . . .
H177 H 0.0528 0.0645 0.8005 0.045 Uiso 1 1 calc R . . . .
C180 C 0.2424(4) -0.1129(3) 0.6478(2) 0.0457(10) Uani 1 1 d . . . . .
H180 H 0.2481 -0.1690 0.6480 0.055 Uiso 1 1 calc R . . . .
C182 C 0.6138(4) 0.1817(3) 0.8193(2) 0.0445(10) Uani 1 1 d . . . . .
H182 H 0.6593 0.1700 0.8460 0.053 Uiso 1 1 calc R . . . .
C184 C 0.5962(3) -0.0598(3) 0.68365(19) 0.0381(9) Uani 1 1 d . . . . .
H184 H 0.5898 -0.0664 0.7266 0.046 Uiso 1 1 calc R . . . .
C185 C 0.2732(4) 0.3378(3) 0.42418(19) 0.0385(9) Uani 1 1 d . . . . .
H185 H 0.2776 0.2851 0.4106 0.046 Uiso 1 1 calc R . . . .
C187 C -0.1380(3) 0.1965(3) 0.7726(2) 0.0386(9) Uani 1 1 d . . . . .
H187 H -0.1775 0.1647 0.7658 0.046 Uiso 1 1 calc R . . . .
C190 C 0.0006(4) -0.0298(3) 0.7968(2) 0.0443(10) Uani 1 1 d . . . . .
H190 H -0.0545 -0.0011 0.7773 0.053 Uiso 1 1 calc R . . . .
C192 C 0.3767(4) 0.6207(3) 0.6969(2) 0.0440(10) Uani 1 1 d . . . . .
H192 H 0.4164 0.6520 0.6736 0.053 Uiso 1 1 calc R . . . .
C194 C 0.1553(4) -0.0105(3) 1.03730(19) 0.0422(10) Uani 1 1 d . . . . .
H194 H 0.0901 -0.0075 1.0702 0.051 Uiso 1 1 calc R . . . .
C195 C 0.0128(3) 0.7374(2) 0.55726(19) 0.0387(9) Uani 1 1 d . . . . .
H195 H -0.0233 0.7705 0.5297 0.046 Uiso 1 1 calc R . . . .
Cl19 Cl 0.5697(4) 0.4039(3) 0.9394(2) 0.1224(16) Uani 0.5 1 d . . P . .
C199 C -0.1324(5) 0.5791(3) 0.9426(2) 0.0504(12) Uani 1 1 d . . . . .
H199 H -0.1709 0.6293 0.9701 0.060 Uiso 1 1 calc R . . . .
C202 C 0.3492(4) -0.0269(3) 1.0026(2) 0.0446(10) Uani 1 1 d . . . . .
H202 H 0.4161 -0.0353 1.0119 0.054 Uiso 1 1 calc R . . . .
C204 C 0.5130(4) 0.1573(3) 0.49844(19) 0.0432(10) Uani 1 1 d . . . . .
H204 H 0.5437 0.1398 0.4547 0.052 Uiso 1 1 calc R . . . .
C206 C 0.3526(4) 0.1812(3) 1.0218(2) 0.0472(10) Uani 1 1 d . . . . .
H206 H 0.3975 0.1740 1.0484 0.057 Uiso 1 1 calc R . . . .
C208 C 0.0169(4) -0.1108(3) 0.8122(2) 0.0546(12) Uani 1 1 d . . . . .
H208 H -0.0266 -0.1375 0.8028 0.066 Uiso 1 1 calc R . . . .
C210 C 0.6037(4) 0.1174(3) 0.7908(3) 0.0502(11) Uani 1 1 d . . . . .
H210 H 0.6442 0.0610 0.7963 0.060 Uiso 1 1 calc R . . . .
C211 C 0.3151(4) 0.6455(3) 0.7602(2) 0.0482(11) Uani 1 1 d . . . . .
H211 H 0.3138 0.6932 0.7804 0.058 Uiso 1 1 calc R . . . .
C214 C 0.2486(4) 0.1773(3) 1.04461(19) 0.0415(10) Uani 1 1 d . . . . .
H214 H 0.2220 0.1671 1.0871 0.050 Uiso 1 1 calc R . . . .
C215 C 0.0965(4) -0.1523(3) 0.8410(2) 0.0522(12) Uani 1 1 d . . . . .
H215 H 0.1062 -0.2070 0.8523 0.063 Uiso 1 1 calc R . . . .
C218 C -0.1899(4) 0.5498(3) 0.9138(2) 0.0482(11) Uani 1 1 d . . . . .
H218 H -0.2683 0.5800 0.9220 0.058 Uiso 1 1 calc R . . . .
C3 C 0.4509(13) 0.4311(7) 0.9478(5) 0.083(5) Uani 0.5 1 d . . P . .
H3A H 0.4120 0.4754 0.9834 0.100 Uiso 0.5 1 calc R . P . .
H3B H 0.4313 0.3833 0.9628 0.100 Uiso 0.5 1 calc R . P . .
C1 C 0.9010(14) 0.1339(11) 0.5526(8) 0.0883(7) Uani 0.5 1 d . . P A -1
H1A H 0.8483 0.1678 0.5306 0.106 Uiso 0.5 1 calc R . P A -1
H1B H 0.9486 0.1636 0.5558 0.106 Uiso 0.5 1 calc R . P A -1
Cl1A Cl 0.8653(4) 0.1390(2) 0.5872(2) 0.0943(8) Uani 0.5 1 d . . P B -2
C9 C 0.8147(15) 0.0620(10) 0.6269(8) 0.0943(8) Uani 0.5 1 d . . P B -2
H9A H 0.7355 0.0922 0.6531 0.113 Uiso 0.5 1 calc R . P B -2
H9B H 0.8152 0.0246 0.5943 0.113 Uiso 0.5 1 calc R . P B -2


_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 P7 2.1864(12) . ?
Ni1 P9 2.6377(13) . ?
Ni1 P11 2.2023(12) . ?
Ni1 C10 1.960(3) . ?
Ni1 C23 2.011(3) . ?
Ni4 P1 2.1993(12) . ?
Ni4 P3 2.6508(14) . ?
Ni4 P5 2.2422(14) . ?
Ni4 C4 1.951(4) . ?
Ni4 C8 2.027(4) . ?
P1 C23 1.813(4) . ?
P1 C37 1.813(4) . ?
P1 C59 1.847(4) . ?
P3 C4 1.689(4) . ?
P3 C8 1.787(3) . ?
P3 C25 1.826(4) . ?
P3 C46 1.816(4) . ?
P5 C34 1.836(4) . ?
P5 C39 1.849(4) . ?
P5 C64 1.836(4) . ?
P7 C8 1.808(3) . ?
P7 C11 1.834(4) . ?
P7 C13 1.816(4) . ?
P9 C10 1.686(4) . ?
P9 C23 1.787(3) . ?
P9 C82 1.820(4) . ?
P9 C90 1.841(4) . ?
P11 C20 1.833(4) . ?
P11 C35 1.827(4) . ?
P11 C117 1.844(4) . ?
P14 C4 1.695(4) . ?
P14 C16 1.810(4) . ?
P14 C39 1.805(4) . ?
P14 C76 1.819(4) . ?
P16 C10 1.698(3) . ?
P16 C28 1.821(4) . ?
P16 C51 1.823(4) . ?
P16 C117 1.819(4) . ?
Cl0A C171 1.769(6) . ?
Cl4 C171 1.756(6) . ?
Cl2 C1 1.931(17) . ?
C8 H8 1.0000 . ?
C11 C55 1.392(5) . ?
C11 C70 1.408(6) . ?
C13 C65 1.400(5) . ?
C13 C71 1.395(5) . ?
C16 C30 1.404(6) . ?
C16 C130 1.405(5) . ?
Cl17 C1 1.563(17) . ?
C20 C124 1.399(5) . ?
C20 C139 1.401(5) . ?
Cl21 C3 1.719(14) . ?
C23 H23 1.0000 . ?
C25 C94 1.415(5) . ?
C25 C159 1.392(6) . ?
C28 C49 1.387(5) . ?
C28 C99 1.415(5) . ?
C30 H30 0.9500 . ?
C30 C202 1.387(6) . ?
C32 H32 0.9500 . ?
C32 C82 1.389(5) . ?
C32 C114 1.390(6) . ?
C34 C77 1.395(5) . ?
C34 C104 1.394(5) . ?
C35 C43 1.403(5) . ?
C35 C111 1.387(5) . ?
C37 C74 1.397(5) . ?
C37 C92 1.389(6) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C42 H42 0.9500 . ?
C42 C82 1.402(5) . ?
C42 C108 1.387(6) . ?
C43 H43 0.9500 . ?
C43 C120 1.385(6) . ?
C46 C61 1.402(6) . ?
C46 C79 1.392(5) . ?
C47 H47 0.9500 . ?
C47 C109 1.386(6) . ?
C47 C111 1.388(6) . ?
C49 H49 0.9500 . ?
C49 C101 1.389(5) . ?
C51 C88 1.386(5) . ?
C51 C144 1.400(5) . ?
Cl53 C9 1.591(15) . ?
C55 H55 0.9500 . ?
C55 C218 1.395(6) . ?
C58 H58 0.9500 . ?
C58 C61 1.389(6) . ?
C58 C84 1.385(6) . ?
C59 C115 1.394(6) . ?
C59 C173 1.385(5) . ?
C61 H61 0.9500 . ?
C64 C68 1.401(5) . ?
C64 C184 1.399(5) . ?
C65 H65 0.9500 . ?
C65 C154 1.379(6) . ?
C68 H68 0.9500 . ?
C68 C105 1.379(6) . ?
C70 H70 0.9500 . ?
C70 C152 1.391(6) . ?
C71 H71 0.9500 . ?
C71 C127 1.390(6) . ?
C74 H74 0.9500 . ?
C74 C134 1.395(6) . ?
C76 C162 1.391(6) . ?
C76 C177 1.398(6) . ?
C77 H77 0.9500 . ?
C77 C180 1.384(6) . ?
C79 H79 0.9500 . ?
C79 C122 1.401(6) . ?
C84 H84 0.9500 . ?
C84 C122 1.379(7) . ?
C85 H85 0.9500 . ?
C85 C101 1.399(5) . ?
C85 C195 1.378(6) . ?
C88 H88 0.9500 . ?
C88 C169 1.385(6) . ?
C90 C96 1.394(6) . ?
C90 C125 1.399(6) . ?
C92 H92 0.9500 . ?
C92 C147 1.398(6) . ?
C94 H94 0.9500 . ?
C94 C214 1.390(6) . ?
C96 H96 0.9500 . ?
C96 C168 1.399(6) . ?
C97 H97 0.9500 . ?
C97 C108 1.391(6) . ?
C97 C114 1.384(6) . ?
C99 H99 0.9500 . ?
C99 C195 1.393(6) . ?
C101 H101 0.9500 . ?
C104 H104 0.9500 . ?
C104 C131 1.399(6) . ?
C105 H105 0.9500 . ?
C105 C149 1.381(6) . ?
C108 H108 0.9500 . ?
C109 H109 0.9500 . ?
C109 C120 1.389(6) . ?
C111 H111 0.9500 . ?
C114 H114 0.9500 . ?
C115 H115 0.9500 . ?
C115 C157 1.396(6) . ?
C117 H11A 0.9900 . ?
C117 H11B 0.9900 . ?
C120 H120 0.9500 . ?
C122 H122 0.9500 . ?
C124 H124 0.9500 . ?
C124 C142 1.380(6) . ?
C125 H125 0.9500 . ?
C125 C192 1.394(6) . ?
C127 H127 0.9500 . ?
C127 C187 1.378(6) . ?
C130 H130 0.9500 . ?
C130 C194 1.385(5) . ?
C131 H131 0.9500 . ?
C131 C163 1.388(7) . ?
C134 H134 0.9500 . ?
C134 C204 1.394(6) . ?
C136 H136 0.9500 . ?
C136 C142 1.389(6) . ?
C136 C166 1.373(6) . ?
C138 H138 0.9500 . ?
C138 C149 1.371(6) . ?
C138 C184 1.393(6) . ?
C139 H139 0.9500 . ?
C139 C166 1.398(6) . ?
C142 H142 0.9500 . ?
C144 H144 0.9500 . ?
C144 C185 1.391(6) . ?
C146 H146 0.9500 . ?
C146 C159 1.381(6) . ?
C146 C206 1.372(7) . ?
C147 H147 0.9500 . ?
C147 C204 1.384(7) . ?
C149 H149 0.9500 . ?
C152 H152 0.9500 . ?
C152 C199 1.379(7) . ?
C154 H154 0.9500 . ?
C154 C187 1.378(6) . ?
C156 H156 0.9500 . ?
C156 C194 1.383(7) . ?
C156 C202 1.398(7) . ?
C157 H157 0.9500 . ?
C157 C182 1.372(6) . ?
C159 H159 0.9500 . ?
C162 H162 0.9500 . ?
C162 C215 1.391(7) . ?
C163 H163 0.9500 . ?
C163 C180 1.392(7) . ?
C166 H166 0.9500 . ?
C168 H168 0.9500 . ?
C168 C211 1.367(7) . ?
C169 H169 0.9500 . ?
C169 C176 1.385(6) . ?
C171 H17A 0.9900 . ?
C171 H17B 0.9900 . ?
C173 H173 0.9500 . ?
C173 C210 1.393(6) . ?
C176 H176 0.9500 . ?
C176 C185 1.393(6) . ?
C177 H177 0.9500 . ?
C177 C190 1.389(6) . ?
C180 H180 0.9500 . ?
C182 H182 0.9500 . ?
C182 C210 1.377(7) . ?
C184 H184 0.9500 . ?
C185 H185 0.9500 . ?
C187 H187 0.9500 . ?
C190 H190 0.9500 . ?
C190 C208 1.394(7) . ?
C192 H192 0.9500 . ?
C192 C211 1.392(7) . ?
C194 H194 0.9500 . ?
C195 H195 0.9500 . ?
Cl19 C3 1.448(17) . ?
C199 H199 0.9500 . ?
C199 C218 1.385(8) . ?
C202 H202 0.9500 . ?
C204 H204 0.9500 . ?
C206 H206 0.9500 . ?
C206 C214 1.378(7) . ?
C208 H208 0.9500 . ?
C208 C215 1.382(7) . ?
C210 H210 0.9500 . ?
C211 H211 0.9500 . ?
C214 H214 0.9500 . ?
C215 H215 0.9500 . ?
C218 H218 0.9500 . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
Cl1A C9 1.830(19) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?

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
P7 Ni1 P9 133.63(4) . . ?
P7 Ni1 P11 100.39(5) . . ?
P11 Ni1 P9 122.17(4) . . ?
C10 Ni1 P7 173.33(11) . . ?
C10 Ni1 P9 39.70(11) . . ?
C10 Ni1 P11 85.87(11) . . ?
C10 Ni1 C23 80.82(14) . . ?
C23 Ni1 P7 92.62(10) . . ?
C23 Ni1 P9 42.60(10) . . ?
C23 Ni1 P11 163.79(10) . . ?
P1 Ni4 P3 126.94(4) . . ?
P1 Ni4 P5 105.00(5) . . ?
P5 Ni4 P3 123.48(5) . . ?
C4 Ni4 P1 165.37(11) . . ?
C4 Ni4 P3 39.51(11) . . ?
C4 Ni4 P5 85.81(11) . . ?
C4 Ni4 C8 80.07(15) . . ?
C8 Ni4 P1 88.61(10) . . ?
C8 Ni4 P3 42.35(10) . . ?
C8 Ni4 P5 165.76(10) . . ?
C23 P1 Ni4 117.27(12) . . ?
C23 P1 C37 105.63(16) . . ?
C23 P1 C59 104.50(17) . . ?
C37 P1 Ni4 119.58(13) . . ?
C37 P1 C59 107.42(18) . . ?
C59 P1 Ni4 100.93(12) . . ?
C4 P3 Ni4 47.31(13) . . ?
C4 P3 C8 94.82(17) . . ?
C4 P3 C25 117.62(17) . . ?
C4 P3 C46 117.94(19) . . ?
C8 P3 Ni4 49.83(11) . . ?
C8 P3 C25 108.70(17) . . ?
C8 P3 C46 117.18(16) . . ?
C25 P3 Ni4 113.52(13) . . ?
C46 P3 Ni4 145.22(12) . . ?
C46 P3 C25 101.17(17) . . ?
C34 P5 Ni4 115.68(12) . . ?
C34 P5 C39 105.12(18) . . ?
C34 P5 C64 98.70(17) . . ?
C39 P5 Ni4 103.64(13) . . ?
C64 P5 Ni4 128.52(13) . . ?
C64 P5 C39 102.70(17) . . ?
C8 P7 Ni1 115.16(12) . . ?
C8 P7 C11 106.15(16) . . ?
C8 P7 C13 105.48(16) . . ?
C11 P7 Ni1 107.58(12) . . ?
C13 P7 Ni1 113.67(12) . . ?
C13 P7 C11 108.40(18) . . ?
C10 P9 Ni1 47.94(12) . . ?
C10 P9 C23 95.62(17) . . ?
C10 P9 C82 118.27(17) . . ?
C10 P9 C90 116.13(17) . . ?
C23 P9 Ni1 49.61(11) . . ?
C23 P9 C82 119.34(16) . . ?
C23 P9 C90 106.98(17) . . ?
C82 P9 Ni1 146.90(13) . . ?
C82 P9 C90 100.92(17) . . ?
C90 P9 Ni1 112.12(13) . . ?
C20 P11 Ni1 129.33(11) . . ?
C20 P11 C117 101.98(17) . . ?
C35 P11 Ni1 109.70(13) . . ?
C35 P11 C20 103.24(17) . . ?
C35 P11 C117 104.59(17) . . ?
C117 P11 Ni1 105.52(13) . . ?
C4 P14 C16 115.79(17) . . ?
C4 P14 C39 103.94(18) . . ?
C4 P14 C76 113.18(18) . . ?
C16 P14 C76 105.41(18) . . ?
C39 P14 C16 110.98(17) . . ?
C39 P14 C76 107.37(18) . . ?
C10 P16 C28 117.55(17) . . ?
C10 P16 C51 115.91(17) . . ?
C10 P16 C117 102.88(17) . . ?
C28 P16 C51 105.84(17) . . ?
C117 P16 C28 106.80(17) . . ?
C117 P16 C51 107.06(17) . . ?
P3 C4 Ni4 93.19(17) . . ?
P3 C4 P14 130.3(2) . . ?
P14 C4 Ni4 124.0(2) . . ?
Ni4 C8 H8 110.3 . . ?
P3 C8 Ni4 87.83(15) . . ?
P3 C8 P7 123.9(2) . . ?
P3 C8 H8 110.3 . . ?
P7 C8 Ni4 112.07(17) . . ?
P7 C8 H8 110.3 . . ?
P9 C10 Ni1 92.36(15) . . ?
P9 C10 P16 142.1(2) . . ?
P16 C10 Ni1 124.3(2) . . ?
C55 C11 P7 123.0(3) . . ?
C55 C11 C70 118.7(3) . . ?
C70 C11 P7 117.5(3) . . ?
C65 C13 P7 125.9(3) . . ?
C71 C13 P7 114.6(3) . . ?
C71 C13 C65 119.5(4) . . ?
C30 C16 P14 121.8(3) . . ?
C30 C16 C130 119.1(3) . . ?
C130 C16 P14 118.6(3) . . ?
C124 C20 P11 122.4(3) . . ?
C124 C20 C139 118.9(4) . . ?
C139 C20 P11 118.7(3) . . ?
Ni1 C23 H23 108.5 . . ?
P1 C23 Ni1 116.87(19) . . ?
P1 C23 H23 108.5 . . ?
P9 C23 Ni1 87.79(14) . . ?
P9 C23 P1 124.7(2) . . ?
P9 C23 H23 108.5 . . ?
C94 C25 P3 119.7(3) . . ?
C159 C25 P3 121.0(3) . . ?
C159 C25 C94 119.1(3) . . ?
C49 C28 P16 119.8(3) . . ?
C49 C28 C99 119.2(3) . . ?
C99 C28 P16 120.9(3) . . ?
C16 C30 H30 119.9 . . ?
C202 C30 C16 120.3(4) . . ?
C202 C30 H30 119.9 . . ?
C82 C32 H32 119.7 . . ?
C82 C32 C114 120.5(4) . . ?
C114 C32 H32 119.7 . . ?
C77 C34 P5 121.6(3) . . ?
C104 C34 P5 118.4(3) . . ?
C104 C34 C77 119.7(4) . . ?
C43 C35 P11 121.3(3) . . ?
C111 C35 P11 119.7(3) . . ?
C111 C35 C43 119.0(3) . . ?
C74 C37 P1 116.9(3) . . ?
C92 C37 P1 123.1(3) . . ?
C92 C37 C74 120.0(3) . . ?
P5 C39 H39A 110.6 . . ?
P5 C39 H39B 110.6 . . ?
P14 C39 P5 105.79(18) . . ?
P14 C39 H39A 110.6 . . ?
P14 C39 H39B 110.6 . . ?
H39A C39 H39B 108.7 . . ?
C82 C42 H42 119.8 . . ?
C108 C42 H42 119.8 . . ?
C108 C42 C82 120.4(4) . . ?
C35 C43 H43 120.1 . . ?
C120 C43 C35 119.7(4) . . ?
C120 C43 H43 120.1 . . ?
C61 C46 P3 121.1(3) . . ?
C79 C46 P3 119.6(3) . . ?
C79 C46 C61 119.3(3) . . ?
C109 C47 H47 120.1 . . ?
C109 C47 C111 119.8(4) . . ?
C111 C47 H47 120.1 . . ?
C28 C49 H49 119.5 . . ?
C28 C49 C101 121.1(3) . . ?
C101 C49 H49 119.5 . . ?
C88 C51 P16 121.7(3) . . ?
C88 C51 C144 120.0(3) . . ?
C144 C51 P16 118.2(3) . . ?
C11 C55 H55 120.0 . . ?
C11 C55 C218 120.1(4) . . ?
C218 C55 H55 120.0 . . ?
C61 C58 H58 119.9 . . ?
C84 C58 H58 119.9 . . ?
C84 C58 C61 120.1(4) . . ?
C115 C59 P1 123.2(3) . . ?
C173 C59 P1 117.8(3) . . ?
C173 C59 C115 118.1(4) . . ?
C46 C61 H61 120.0 . . ?
C58 C61 C46 120.0(4) . . ?
C58 C61 H61 120.0 . . ?
C68 C64 P5 118.9(3) . . ?
C184 C64 P5 122.9(3) . . ?
C184 C64 C68 118.1(3) . . ?
C13 C65 H65 120.3 . . ?
C154 C65 C13 119.3(4) . . ?
C154 C65 H65 120.3 . . ?
C64 C68 H68 119.4 . . ?
C105 C68 C64 121.2(4) . . ?
C105 C68 H68 119.4 . . ?
C11 C70 H70 119.9 . . ?
C152 C70 C11 120.2(4) . . ?
C152 C70 H70 119.9 . . ?
C13 C71 H71 119.9 . . ?
C127 C71 C13 120.2(4) . . ?
C127 C71 H71 119.9 . . ?
C37 C74 H74 120.2 . . ?
C134 C74 C37 119.7(4) . . ?
C134 C74 H74 120.2 . . ?
C162 C76 P14 121.4(3) . . ?
C162 C76 C177 119.8(4) . . ?
C177 C76 P14 118.7(3) . . ?
C34 C77 H77 119.9 . . ?
C180 C77 C34 120.2(4) . . ?
C180 C77 H77 119.9 . . ?
C46 C79 H79 119.8 . . ?
C46 C79 C122 120.4(4) . . ?
C122 C79 H79 119.8 . . ?
C32 C82 P9 119.6(3) . . ?
C32 C82 C42 119.1(4) . . ?
C42 C82 P9 121.2(3) . . ?
C58 C84 H84 119.7 . . ?
C122 C84 C58 120.6(4) . . ?
C122 C84 H84 119.7 . . ?
C101 C85 H85 119.8 . . ?
C195 C85 H85 119.8 . . ?
C195 C85 C101 120.4(4) . . ?
C51 C88 H88 119.7 . . ?
C169 C88 C51 120.5(4) . . ?
C169 C88 H88 119.7 . . ?
C96 C90 P9 120.9(3) . . ?
C96 C90 C125 118.6(4) . . ?
C125 C90 P9 120.1(3) . . ?
C37 C92 H92 120.0 . . ?
C37 C92 C147 119.9(4) . . ?
C147 C92 H92 120.0 . . ?
C25 C94 H94 120.2 . . ?
C214 C94 C25 119.6(4) . . ?
C214 C94 H94 120.2 . . ?
C90 C96 H96 120.0 . . ?
C90 C96 C168 119.9(4) . . ?
C168 C96 H96 120.0 . . ?
C108 C97 H97 119.8 . . ?
C114 C97 H97 119.8 . . ?
C114 C97 C108 120.3(4) . . ?
C28 C99 H99 120.3 . . ?
C195 C99 C28 119.5(4) . . ?
C195 C99 H99 120.3 . . ?
C49 C101 C85 119.3(4) . . ?
C49 C101 H101 120.3 . . ?
C85 C101 H101 120.3 . . ?
C34 C104 H104 119.9 . . ?
C34 C104 C131 120.1(4) . . ?
C131 C104 H104 119.9 . . ?
C68 C105 H105 119.8 . . ?
C68 C105 C149 120.4(4) . . ?
C149 C105 H105 119.8 . . ?
C42 C108 C97 119.7(4) . . ?
C42 C108 H108 120.2 . . ?
C97 C108 H108 120.2 . . ?
C47 C109 H109 120.2 . . ?
C47 C109 C120 119.6(4) . . ?
C120 C109 H109 120.2 . . ?
C35 C111 C47 121.0(3) . . ?
C35 C111 H111 119.5 . . ?
C47 C111 H111 119.5 . . ?
C32 C114 H114 120.0 . . ?
C97 C114 C32 119.9(4) . . ?
C97 C114 H114 120.0 . . ?
C59 C115 H115 120.1 . . ?
C59 C115 C157 119.8(4) . . ?
C157 C115 H115 120.1 . . ?
P11 C117 H11A 110.9 . . ?
P11 C117 H11B 110.9 . . ?
P16 C117 P11 104.32(18) . . ?
P16 C117 H11A 110.9 . . ?
P16 C117 H11B 110.9 . . ?
H11A C117 H11B 108.9 . . ?
C43 C120 C109 120.8(4) . . ?
C43 C120 H120 119.6 . . ?
C109 C120 H120 119.6 . . ?
C79 C122 H122 120.2 . . ?
C84 C122 C79 119.6(4) . . ?
C84 C122 H122 120.2 . . ?
C20 C124 H124 119.5 . . ?
C142 C124 C20 120.9(4) . . ?
C142 C124 H124 119.5 . . ?
C90 C125 H125 119.5 . . ?
C192 C125 C90 120.9(4) . . ?
C192 C125 H125 119.5 . . ?
C71 C127 H127 120.2 . . ?
C187 C127 C71 119.6(4) . . ?
C187 C127 H127 120.2 . . ?
C16 C130 H130 119.8 . . ?
C194 C130 C16 120.4(4) . . ?
C194 C130 H130 119.8 . . ?
C104 C131 H131 120.2 . . ?
C163 C131 C104 119.7(4) . . ?
C163 C131 H131 120.2 . . ?
C74 C134 H134 119.9 . . ?
C204 C134 C74 120.2(4) . . ?
C204 C134 H134 119.9 . . ?
C142 C136 H136 119.9 . . ?
C166 C136 H136 119.9 . . ?
C166 C136 C142 120.2(4) . . ?
C149 C138 H138 119.1 . . ?
C149 C138 C184 121.8(4) . . ?
C184 C138 H138 119.1 . . ?
C20 C139 H139 120.3 . . ?
C166 C139 C20 119.4(4) . . ?
C166 C139 H139 120.3 . . ?
C124 C142 C136 119.8(4) . . ?
C124 C142 H142 120.1 . . ?
C136 C142 H142 120.1 . . ?
C51 C144 H144 120.2 . . ?
C185 C144 C51 119.6(4) . . ?
C185 C144 H144 120.2 . . ?
C159 C146 H146 119.2 . . ?
C206 C146 H146 119.2 . . ?
C206 C146 C159 121.6(5) . . ?
C92 C147 H147 119.9 . . ?
C204 C147 C92 120.3(4) . . ?
C204 C147 H147 119.9 . . ?
C105 C149 H149 120.5 . . ?
C138 C149 C105 119.0(4) . . ?
C138 C149 H149 120.5 . . ?
C70 C152 H152 119.6 . . ?
C199 C152 C70 120.7(5) . . ?
C199 C152 H152 119.6 . . ?
C65 C154 H154 119.6 . . ?
C187 C154 C65 120.9(4) . . ?
C187 C154 H154 119.6 . . ?
C194 C156 H156 119.8 . . ?
C194 C156 C202 120.4(4) . . ?
C202 C156 H156 119.8 . . ?
C115 C157 H157 119.6 . . ?
C182 C157 C115 120.8(4) . . ?
C182 C157 H157 119.6 . . ?
C25 C159 H159 120.2 . . ?
C146 C159 C25 119.6(4) . . ?
C146 C159 H159 120.2 . . ?
C76 C162 H162 120.1 . . ?
C76 C162 C215 119.7(4) . . ?
C215 C162 H162 120.1 . . ?
C131 C163 H163 119.9 . . ?
C131 C163 C180 120.2(4) . . ?
C180 C163 H163 119.9 . . ?
C136 C166 C139 120.7(4) . . ?
C136 C166 H166 119.6 . . ?
C139 C166 H166 119.6 . . ?
C96 C168 H168 119.5 . . ?
C211 C168 C96 121.0(4) . . ?
C211 C168 H168 119.5 . . ?
C88 C169 H169 120.2 . . ?
C176 C169 C88 119.5(4) . . ?
C176 C169 H169 120.2 . . ?
Cl0A C171 H17A 109.2 . . ?
Cl0A C171 H17B 109.2 . . ?
Cl4 C171 Cl0A 112.1(3) . . ?
Cl4 C171 H17A 109.2 . . ?
Cl4 C171 H17B 109.2 . . ?
H17A C171 H17B 107.9 . . ?
C59 C173 H173 119.1 . . ?
C59 C173 C210 121.9(4) . . ?
C210 C173 H173 119.1 . . ?
C169 C176 H176 119.6 . . ?
C169 C176 C185 120.7(4) . . ?
C185 C176 H176 119.6 . . ?
C76 C177 H177 120.0 . . ?
C190 C177 C76 120.0(4) . . ?
C190 C177 H177 120.0 . . ?
C77 C180 C163 120.2(4) . . ?
C77 C180 H180 119.9 . . ?
C163 C180 H180 119.9 . . ?
C157 C182 H182 120.0 . . ?
C157 C182 C210 120.1(4) . . ?
C210 C182 H182 120.0 . . ?
C64 C184 H184 120.3 . . ?
C138 C184 C64 119.4(4) . . ?
C138 C184 H184 120.3 . . ?
C144 C185 C176 119.6(4) . . ?
C144 C185 H185 120.2 . . ?
C176 C185 H185 120.2 . . ?
C127 C187 C154 120.5(4) . . ?
C127 C187 H187 119.8 . . ?
C154 C187 H187 119.8 . . ?
C177 C190 H190 120.0 . . ?
C177 C190 C208 119.9(4) . . ?
C208 C190 H190 120.0 . . ?
C125 C192 H192 120.2 . . ?
C211 C192 C125 119.5(4) . . ?
C211 C192 H192 120.2 . . ?
C130 C194 H194 119.9 . . ?
C156 C194 C130 120.1(4) . . ?
C156 C194 H194 119.9 . . ?
C85 C195 C99 120.6(3) . . ?
C85 C195 H195 119.7 . . ?
C99 C195 H195 119.7 . . ?
C152 C199 H199 120.4 . . ?
C152 C199 C218 119.3(4) . . ?
C218 C199 H199 120.4 . . ?
C30 C202 C156 119.8(4) . . ?
C30 C202 H202 120.1 . . ?
C156 C202 H202 120.1 . . ?
C134 C204 H204 120.1 . . ?
C147 C204 C134 119.9(4) . . ?
C147 C204 H204 120.1 . . ?
C146 C206 H206 120.2 . . ?
C146 C206 C214 119.7(4) . . ?
C214 C206 H206 120.2 . . ?
C190 C208 H208 120.0 . . ?
C215 C208 C190 119.9(4) . . ?
C215 C208 H208 120.0 . . ?
C173 C210 H210 120.5 . . ?
C182 C210 C173 119.1(4) . . ?
C182 C210 H210 120.5 . . ?
C168 C211 C192 120.0(4) . . ?
C168 C211 H211 120.0 . . ?
C192 C211 H211 120.0 . . ?
C94 C214 H214 119.8 . . ?
C206 C214 C94 120.5(4) . . ?
C206 C214 H214 119.8 . . ?
C162 C215 H215 119.7 . . ?
C208 C215 C162 120.6(4) . . ?
C208 C215 H215 119.7 . . ?
C55 C218 H218 119.5 . . ?
C199 C218 C55 120.9(4) . . ?
C199 C218 H218 119.5 . . ?
Cl21 C3 H3A 105.7 . . ?
Cl21 C3 H3B 105.7 . . ?
Cl19 C3 Cl21 126.4(8) . . ?
Cl19 C3 H3A 105.7 . . ?
Cl19 C3 H3B 105.7 . . ?
H3A C3 H3B 106.2 . . ?
Cl2 C1 H1A 109.7 . . ?
Cl2 C1 H1B 109.7 . . ?
Cl17 C1 Cl2 109.9(10) . . ?
Cl17 C1 H1A 109.7 . . ?
Cl17 C1 H1B 109.7 . . ?
H1A C1 H1B 108.2 . . ?
Cl53 C9 Cl1A 118.4(11) . . ?
Cl53 C9 H9A 107.7 . . ?
Cl53 C9 H9B 107.7 . . ?
Cl1A C9 H9A 107.7 . . ?
Cl1A C9 H9B 107.7 . . ?
H9A C9 H9B 107.1 . . ?

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 P7 C8 Ni4 -64.09(19) . . . . ?
Ni1 P7 C8 P3 -166.99(16) . . . . ?
Ni1 P7 C11 C55 89.0(3) . . . . ?
Ni1 P7 C11 C70 -80.2(3) . . . . ?
Ni1 P7 C13 C65 -141.2(3) . . . . ?
Ni1 P7 C13 C71 40.2(3) . . . . ?
Ni1 P9 C10 P16 165.8(5) . . . . ?
Ni1 P9 C23 P1 121.6(3) . . . . ?
Ni1 P9 C82 C32 55.2(4) . . . . ?
Ni1 P9 C82 C42 -127.7(3) . . . . ?
Ni1 P9 C90 C96 24.4(3) . . . . ?
Ni1 P9 C90 C125 -148.3(3) . . . . ?
Ni1 P11 C20 C124 116.5(3) . . . . ?
Ni1 P11 C20 C139 -63.1(3) . . . . ?
Ni1 P11 C35 C43 160.8(3) . . . . ?
Ni1 P11 C35 C111 -20.7(3) . . . . ?
Ni1 P11 C117 P16 -43.20(18) . . . . ?
Ni4 P1 C23 Ni1 -50.0(2) . . . . ?
Ni4 P1 C23 P9 -157.39(17) . . . . ?
Ni4 P1 C37 C74 64.0(3) . . . . ?
Ni4 P1 C37 C92 -114.8(3) . . . . ?
Ni4 P1 C59 C115 -120.0(3) . . . . ?
Ni4 P1 C59 C173 49.2(3) . . . . ?
Ni4 P3 C4 P14 141.4(4) . . . . ?
Ni4 P3 C8 P7 115.3(3) . . . . ?
Ni4 P3 C25 C94 -155.3(3) . . . . ?
Ni4 P3 C25 C159 18.9(4) . . . . ?
Ni4 P3 C46 C61 64.2(4) . . . . ?
Ni4 P3 C46 C79 -116.6(3) . . . . ?
Ni4 P5 C34 C77 -144.9(3) . . . . ?
Ni4 P5 C34 C104 41.8(3) . . . . ?
Ni4 P5 C39 P14 42.1(2) . . . . ?
Ni4 P5 C64 C68 -85.2(3) . . . . ?
Ni4 P5 C64 C184 94.6(3) . . . . ?
P1 C37 C74 C134 -179.3(3) . . . . ?
P1 C37 C92 C147 179.5(3) . . . . ?
P1 C59 C115 C157 166.7(3) . . . . ?
P1 C59 C173 C210 -166.5(4) . . . . ?
P3 C25 C94 C214 173.3(3) . . . . ?
P3 C25 C159 C146 -174.9(4) . . . . ?
P3 C46 C61 C58 178.8(3) . . . . ?
P3 C46 C79 C122 179.7(3) . . . . ?
P5 C34 C77 C180 -174.9(3) . . . . ?
P5 C34 C104 C131 174.3(3) . . . . ?
P5 C64 C68 C105 -179.0(3) . . . . ?
P5 C64 C184 C138 179.5(4) . . . . ?
P7 C11 C55 C218 -170.3(3) . . . . ?
P7 C11 C70 C152 169.9(3) . . . . ?
P7 C13 C65 C154 -177.9(3) . . . . ?
P7 C13 C71 C127 177.7(3) . . . . ?
P9 C90 C96 C168 -173.9(3) . . . . ?
P9 C90 C125 C192 174.4(3) . . . . ?
P11 C20 C124 C142 180.0(3) . . . . ?
P11 C20 C139 C166 178.7(3) . . . . ?
P11 C35 C43 C120 177.8(3) . . . . ?
P11 C35 C111 C47 -178.6(3) . . . . ?
P14 C16 C30 C202 172.0(3) . . . . ?
P14 C16 C130 C194 -172.1(3) . . . . ?
P14 C76 C162 C215 -177.2(4) . . . . ?
P14 C76 C177 C190 176.3(3) . . . . ?
P16 C28 C49 C101 -175.4(3) . . . . ?
P16 C28 C99 C195 176.1(3) . . . . ?
P16 C51 C88 C169 174.5(3) . . . . ?
P16 C51 C144 C185 -174.8(3) . . . . ?
C4 P3 C8 Ni4 -15.90(17) . . . . ?
C4 P3 C8 P7 99.4(2) . . . . ?
C4 P3 C25 C94 -102.7(3) . . . . ?
C4 P3 C25 C159 71.5(4) . . . . ?
C4 P3 C46 C61 9.8(4) . . . . ?
C4 P3 C46 C79 -171.1(3) . . . . ?
C4 P14 C16 C30 -87.7(4) . . . . ?
C4 P14 C16 C130 83.9(3) . . . . ?
C4 P14 C39 P5 -30.3(2) . . . . ?
C4 P14 C76 C162 -170.8(3) . . . . ?
C4 P14 C76 C177 11.1(4) . . . . ?
C8 P3 C4 Ni4 16.55(17) . . . . ?
C8 P3 C4 P14 157.9(3) . . . . ?
C8 P3 C25 C94 151.2(3) . . . . ?
C8 P3 C25 C159 -34.6(4) . . . . ?
C8 P3 C46 C61 122.1(3) . . . . ?
C8 P3 C46 C79 -58.8(3) . . . . ?
C8 P7 C11 C55 -147.2(3) . . . . ?
C8 P7 C11 C70 43.6(3) . . . . ?
C8 P7 C13 C65 91.7(3) . . . . ?
C8 P7 C13 C71 -86.9(3) . . . . ?
C10 P9 C23 Ni1 -14.62(17) . . . . ?
C10 P9 C23 P1 107.0(2) . . . . ?
C10 P9 C82 C32 -0.2(4) . . . . ?
C10 P9 C82 C42 177.0(3) . . . . ?
C10 P9 C90 C96 77.1(3) . . . . ?
C10 P9 C90 C125 -95.6(3) . . . . ?
C10 P16 C28 C49 -4.1(4) . . . . ?
C10 P16 C28 C99 -179.3(3) . . . . ?
C10 P16 C51 C88 -107.7(3) . . . . ?
C10 P16 C51 C144 67.6(3) . . . . ?
C10 P16 C117 P11 34.0(2) . . . . ?
C11 P7 C8 Ni4 177.01(17) . . . . ?
C11 P7 C8 P3 74.1(3) . . . . ?
C11 P7 C13 C65 -21.6(3) . . . . ?
C11 P7 C13 C71 159.7(2) . . . . ?
C11 C55 C218 C199 1.3(6) . . . . ?
C11 C70 C152 C199 0.8(6) . . . . ?
C13 P7 C8 Ni4 62.1(2) . . . . ?
C13 P7 C8 P3 -40.8(3) . . . . ?
C13 P7 C11 C55 -34.3(4) . . . . ?
C13 P7 C11 C70 156.5(3) . . . . ?
C13 C65 C154 C187 -0.2(6) . . . . ?
C13 C71 C127 C187 0.7(5) . . . . ?
C16 P14 C4 Ni4 126.1(2) . . . . ?
C16 P14 C4 P3 -5.1(4) . . . . ?
C16 P14 C39 P5 -155.46(18) . . . . ?
C16 P14 C76 C162 -43.3(4) . . . . ?
C16 P14 C76 C177 138.6(3) . . . . ?
C16 C30 C202 C156 -0.5(6) . . . . ?
C16 C130 C194 C156 0.1(6) . . . . ?
C20 P11 C35 C43 -58.3(3) . . . . ?
C20 P11 C35 C111 120.2(3) . . . . ?
C20 P11 C117 P16 179.80(17) . . . . ?
C20 C124 C142 C136 1.0(6) . . . . ?
C20 C139 C166 C136 1.7(5) . . . . ?
C23 P1 C37 C74 -70.9(3) . . . . ?
C23 P1 C37 C92 110.3(3) . . . . ?
C23 P1 C59 C115 2.1(4) . . . . ?
C23 P1 C59 C173 171.4(3) . . . . ?
C23 P9 C10 Ni1 15.01(17) . . . . ?
C23 P9 C10 P16 -179.2(4) . . . . ?
C23 P9 C82 C32 115.3(3) . . . . ?
C23 P9 C82 C42 -67.6(4) . . . . ?
C23 P9 C90 C96 -28.2(3) . . . . ?
C23 P9 C90 C125 159.1(3) . . . . ?
C25 P3 C4 Ni4 -97.48(18) . . . . ?
C25 P3 C4 P14 43.9(4) . . . . ?
C25 P3 C8 Ni4 105.41(16) . . . . ?
C25 P3 C8 P7 -139.3(2) . . . . ?
C25 P3 C46 C61 -120.0(3) . . . . ?
C25 P3 C46 C79 59.2(3) . . . . ?
C25 C94 C214 C206 1.5(6) . . . . ?
C28 P16 C10 Ni1 105.3(2) . . . . ?
C28 P16 C10 P9 -57.4(4) . . . . ?
C28 P16 C51 C88 24.6(3) . . . . ?
C28 P16 C51 C144 -160.2(3) . . . . ?
C28 P16 C117 P11 -90.4(2) . . . . ?
C28 C49 C101 C85 -0.5(6) . . . . ?
C28 C99 C195 C85 -1.1(6) . . . . ?
C30 C16 C130 C194 -0.3(6) . . . . ?
C34 P5 C39 P14 -79.7(2) . . . . ?
C34 P5 C64 C68 47.8(3) . . . . ?
C34 P5 C64 C184 -132.4(3) . . . . ?
C34 C77 C180 C163 1.2(6) . . . . ?
C34 C104 C131 C163 0.5(6) . . . . ?
C35 P11 C20 C124 -13.3(3) . . . . ?
C35 P11 C20 C139 167.1(3) . . . . ?
C35 P11 C117 P16 72.5(2) . . . . ?
C35 C43 C120 C109 0.7(6) . . . . ?
C37 P1 C23 Ni1 86.1(2) . . . . ?
C37 P1 C23 P9 -21.3(3) . . . . ?
C37 P1 C59 C115 114.0(3) . . . . ?
C37 P1 C59 C173 -76.7(4) . . . . ?
C37 C74 C134 C204 1.0(6) . . . . ?
C37 C92 C147 C204 -1.6(6) . . . . ?
C39 P5 C34 C77 -31.3(3) . . . . ?
C39 P5 C34 C104 155.4(3) . . . . ?
C39 P5 C64 C68 155.6(3) . . . . ?
C39 P5 C64 C184 -24.6(4) . . . . ?
C39 P14 C4 Ni4 4.1(3) . . . . ?
C39 P14 C4 P3 -127.1(3) . . . . ?
C39 P14 C16 C30 30.5(4) . . . . ?
C39 P14 C16 C130 -157.9(3) . . . . ?
C39 P14 C76 C162 75.1(4) . . . . ?
C39 P14 C76 C177 -103.1(3) . . . . ?
C43 C35 C111 C47 -0.1(6) . . . . ?
C46 P3 C4 Ni4 140.85(15) . . . . ?
C46 P3 C4 P14 -77.8(3) . . . . ?
C46 P3 C8 Ni4 -140.79(16) . . . . ?
C46 P3 C8 P7 -25.5(3) . . . . ?
C46 P3 C25 C94 27.3(3) . . . . ?
C46 P3 C25 C159 -158.5(3) . . . . ?
C46 C79 C122 C84 1.9(6) . . . . ?
C47 C109 C120 C43 0.0(6) . . . . ?
C49 C28 C99 C195 0.8(6) . . . . ?
C51 P16 C10 Ni1 -128.1(2) . . . . ?
C51 P16 C10 P9 69.1(4) . . . . ?
C51 P16 C28 C49 -135.4(3) . . . . ?
C51 P16 C28 C99 49.4(4) . . . . ?
C51 P16 C117 P11 156.60(17) . . . . ?
C51 C88 C169 C176 0.5(6) . . . . ?
C51 C144 C185 C176 -0.1(6) . . . . ?
C55 C11 C70 C152 0.2(5) . . . . ?
C58 C84 C122 C79 -1.1(6) . . . . ?
C59 P1 C23 Ni1 -160.72(18) . . . . ?
C59 P1 C23 P9 91.9(2) . . . . ?
C59 P1 C37 C74 178.0(3) . . . . ?
C59 P1 C37 C92 -0.8(4) . . . . ?
C59 C115 C157 C182 -0.7(7) . . . . ?
C59 C173 C210 C182 -0.8(7) . . . . ?
C61 C46 C79 C122 -1.1(5) . . . . ?
C61 C58 C84 C122 -0.4(6) . . . . ?
C64 P5 C34 C77 74.5(3) . . . . ?
C64 P5 C34 C104 -98.8(3) . . . . ?
C64 P5 C39 P14 177.46(19) . . . . ?
C64 C68 C105 C149 -1.0(6) . . . . ?
C65 C13 C71 C127 -1.0(5) . . . . ?
C65 C154 C187 C127 -0.2(6) . . . . ?
C68 C64 C184 C138 -0.7(6) . . . . ?
C68 C105 C149 C138 0.4(7) . . . . ?
C70 C11 C55 C218 -1.2(5) . . . . ?
C70 C152 C199 C218 -0.6(7) . . . . ?
C71 C13 C65 C154 0.7(5) . . . . ?
C71 C127 C187 C154 -0.1(6) . . . . ?
C74 C37 C92 C147 0.8(6) . . . . ?
C74 C134 C204 C147 -1.9(6) . . . . ?
C76 P14 C4 Ni4 -112.0(2) . . . . ?
C76 P14 C4 P3 116.7(3) . . . . ?
C76 P14 C16 C30 146.4(3) . . . . ?
C76 P14 C16 C130 -42.0(3) . . . . ?
C76 P14 C39 P5 89.8(2) . . . . ?
C76 C162 C215 C208 0.7(7) . . . . ?
C76 C177 C190 C208 1.2(6) . . . . ?
C77 C34 C104 C131 0.9(6) . . . . ?
C79 C46 C61 C58 -0.4(5) . . . . ?
C82 P9 C10 Ni1 142.74(15) . . . . ?
C82 P9 C10 P16 -51.4(4) . . . . ?
C82 P9 C23 Ni1 -141.58(16) . . . . ?
C82 P9 C23 P1 -20.0(3) . . . . ?
C82 P9 C90 C96 -153.7(3) . . . . ?
C82 P9 C90 C125 33.6(3) . . . . ?
C82 C32 C114 C97 1.0(6) . . . . ?
C82 C42 C108 C97 1.8(6) . . . . ?
C84 C58 C61 C46 1.1(6) . . . . ?
C88 C51 C144 C185 0.5(5) . . . . ?
C88 C169 C176 C185 0.0(6) . . . . ?
C90 P9 C10 Ni1 -97.03(18) . . . . ?
C90 P9 C10 P16 68.8(4) . . . . ?
C90 P9 C23 Ni1 104.91(16) . . . . ?
C90 P9 C23 P1 -133.5(2) . . . . ?
C90 P9 C82 C32 -128.0(3) . . . . ?
C90 P9 C82 C42 49.1(3) . . . . ?
C90 C96 C168 C211 -0.5(7) . . . . ?
C90 C125 C192 C211 -0.3(6) . . . . ?
C92 C37 C74 C134 -0.5(5) . . . . ?
C92 C147 C204 C134 2.1(6) . . . . ?
C94 C25 C159 C146 -0.7(7) . . . . ?
C96 C90 C125 C192 1.5(6) . . . . ?
C96 C168 C211 C192 1.7(7) . . . . ?
C99 C28 C49 C101 0.0(6) . . . . ?
C101 C85 C195 C99 0.6(6) . . . . ?
C104 C34 C77 C180 -1.8(6) . . . . ?
C104 C131 C163 C180 -1.1(6) . . . . ?
C108 C42 C82 P9 -177.5(3) . . . . ?
C108 C42 C82 C32 -0.4(5) . . . . ?
C108 C97 C114 C32 0.5(6) . . . . ?
C109 C47 C111 C35 0.8(6) . . . . ?
C111 C35 C43 C120 -0.6(6) . . . . ?
C111 C47 C109 C120 -0.8(6) . . . . ?
C114 C32 C82 P9 176.2(3) . . . . ?
C114 C32 C82 C42 -1.0(6) . . . . ?
C114 C97 C108 C42 -1.8(6) . . . . ?
C115 C59 C173 C210 3.3(7) . . . . ?
C115 C157 C182 C210 3.4(7) . . . . ?
C117 P11 C20 C124 -121.7(3) . . . . ?
C117 P11 C20 C139 58.8(3) . . . . ?
C117 P11 C35 C43 48.1(3) . . . . ?
C117 P11 C35 C111 -133.5(3) . . . . ?
C117 P16 C10 Ni1 -11.6(3) . . . . ?
C117 P16 C10 P9 -174.4(4) . . . . ?
C117 P16 C28 C49 110.8(3) . . . . ?
C117 P16 C28 C99 -64.5(3) . . . . ?
C117 P16 C51 C88 138.2(3) . . . . ?
C117 P16 C51 C144 -46.5(3) . . . . ?
C124 C20 C139 C166 -0.9(5) . . . . ?
C125 C90 C96 C168 -1.1(6) . . . . ?
C125 C192 C211 C168 -1.3(7) . . . . ?
C130 C16 C30 C202 0.5(6) . . . . ?
C131 C163 C180 C77 0.3(6) . . . . ?
C139 C20 C124 C142 -0.4(5) . . . . ?
C142 C136 C166 C139 -1.2(6) . . . . ?
C144 C51 C88 C169 -0.7(6) . . . . ?
C146 C206 C214 C94 -0.3(7) . . . . ?
C149 C138 C184 C64 0.1(8) . . . . ?
C152 C199 C218 C55 -0.4(7) . . . . ?
C157 C182 C210 C173 -2.6(7) . . . . ?
C159 C25 C94 C214 -1.1(6) . . . . ?
C159 C146 C206 C214 -1.5(8) . . . . ?
C162 C76 C177 C190 -1.9(6) . . . . ?
C166 C136 C142 C124 -0.2(6) . . . . ?
C169 C176 C185 C144 -0.1(6) . . . . ?
C173 C59 C115 C157 -2.6(6) . . . . ?
C177 C76 C162 C215 1.0(6) . . . . ?
C177 C190 C208 C215 0.5(7) . . . . ?
C184 C64 C68 C105 1.2(6) . . . . ?
C184 C138 C149 C105 0.1(8) . . . . ?
C190 C208 C215 C162 -1.5(7) . . . . ?
C194 C156 C202 C30 0.3(7) . . . . ?
C195 C85 C101 C49 0.2(6) . . . . ?
C202 C156 C194 C130 -0.1(7) . . . . ?
C206 C146 C159 C25 2.0(8) . . . . ?

_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_lmcdp92_0m_a
_database_code_depnum_ccdc_archive 'CCDC 1814009'
_audit_update_record             
;
2018-01-31 deposited with the CCDC.
2018-02-15 downloaded from the CCDC.
;
_audit_creation_date             2018-01-31
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C51 H45 Cl Ni P4, 2(B F4)'
_chemical_formula_sum            'C51 H45 B2 Cl F8 Ni P4'
_chemical_formula_weight         1049.53
_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'
F F 0.0171 0.0103 '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                   12.2896(6)
_cell_length_b                   18.9342(10)
_cell_length_c                   20.4715(11)
_cell_angle_alpha                90
_cell_angle_beta                 97.295(2)
_cell_angle_gamma                90
_cell_volume                     4725.0(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9918
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      24.919
_cell_measurement_theta_min      2.276
_shelx_estimated_absorpt_T_max   0.773
_shelx_estimated_absorpt_T_min   0.732
_exptl_absorpt_coefficient_mu    0.671
_exptl_absorpt_correction_T_max  0.7275
_exptl_absorpt_correction_T_min  0.5245
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   
'SADABS-2014/5 (Bruker,2014/5) was used for absorption correction. wR2(int) was 0.1043 before and 0.0668 after correction. The Ratio of minimum to maximum transmission is 0.7210. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear red'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.475
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2152
_exptl_crystal_size_max          0.496
_exptl_crystal_size_mid          0.41
_exptl_crystal_size_min          0.405
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0513
_diffrn_reflns_av_unetI/netI     0.0342
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            48535
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        24.971
_diffrn_reflns_theta_max         24.971
_diffrn_reflns_theta_min         2.128
_diffrn_ambient_temperature      100.0
_diffrn_detector                 'Photon 100'
_diffrn_detector_area_resol_mean 10.4167
_diffrn_detector_type            'CMOS active pixel sensor'
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device       'fixed-chi goniometer'
_diffrn_measurement_device_type  'D8 Quest (Bruker AXS Inc.)'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'I\mS Microfocus Source'
_diffrn_source_type              'sealed tube'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6870
_reflns_number_total             8254
_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       'APEX3 v2016.1-0 (Bruker AXS)'
_computing_data_collection       'Bruker Instrument Service v3.0.26'
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.036
_refine_diff_density_min         -0.533
_refine_diff_density_rms         0.073
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     604
_refine_ls_number_reflns         8254
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0571
_refine_ls_R_factor_gt           0.0445
_refine_ls_restrained_S_all      1.027
_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)+(0.0435P)²+9.3284P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1034
_refine_ls_wR_factor_ref         0.1118
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Ternary CH refined with riding coordinates:
 C01E(H01E)
2.b Secondary CH2 refined with riding coordinates:
 C00M(H00A,H00B), C00P(H00C,H00D)
2.c Aromatic/amide H refined with riding coordinates:
 C00J(H00J), C00N(H00N), C00O(H00O), C00Q(H00Q), C00T(H00T), C00U(H00U),
 C00V(H00V), C00W(H00W), C00X(H00X), C00Y(H00Y), C00Z(H00Z), C010(H010),
 C011(H011), C012(H012), C013(H013), C014(H014), C015(H015), C016(H016),
 C017(H017), C018(H018), C019(H019), C01A(H01A), C01B(H01B), C01C(H01C),
 C01D(H01D), C01F(H01F), C01G(H01G), C01H(H01H), C01I(H01I), C01J(H01J),
 C01K(H01K), C01L(H01L), C01M(H01M), C01N(H01N), C01O(H01O), C01P(H01P),
 C01Q(H01Q), C01T(H01T), C01U(H01U), C01V(H01V)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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
Ni01 Ni 0.73725(3) 0.84524(2) 0.35749(2) 0.02037(11) Uani 1 1 d . . . . .
P2 P 0.79052(6) 0.84103(4) 0.46388(4) 0.01972(17) Uani 1 1 d . . . . .
P003 P 0.81654(6) 0.69866(4) 0.41915(4) 0.01976(17) Uani 1 1 d . . . . .
P004 P 0.69366(6) 0.70008(4) 0.27355(4) 0.02100(17) Uani 1 1 d . . . . .
P5 P 0.66646(6) 0.85163(4) 0.25400(4) 0.02076(17) Uani 1 1 d . . . . .
Cl06 Cl 0.73321(8) 0.95983(4) 0.36453(4) 0.0357(2) Uani 1 1 d . . . . .
F007 F 0.91792(14) 0.78273(10) 0.13584(9) 0.0359(4) Uani 1 1 d . . . . .
F008 F 1.07675(16) 0.73350(10) 0.18489(10) 0.0419(5) Uani 1 1 d . . . . .
F009 F 0.50374(17) 0.72273(11) 0.45681(9) 0.0401(5) Uani 1 1 d . . . . .
F00A F 0.57312(15) 0.70881(12) 0.56317(9) 0.0415(5) Uani 1 1 d . . . . .
F00B F 1.07816(18) 0.83901(14) 0.13481(13) 0.0679(8) Uani 1 1 d . . . . .
F00C F 1.0054(2) 0.82702(14) 0.23031(11) 0.0665(8) Uani 1 1 d . . . . .
F00D F 0.39529(18) 0.73823(17) 0.53728(12) 0.0702(8) Uani 1 1 d . . . . .
F00E F 0.4522(2) 0.62899(14) 0.51301(13) 0.0711(8) Uani 1 1 d . . . . .
C00F C 0.7764(2) 0.62541(16) 0.25637(14) 0.0243(6) Uani 1 1 d . . . . .
C00G C 0.9597(2) 0.70986(15) 0.41544(14) 0.0229(6) Uani 1 1 d . . . . .
C00H C 0.7907(2) 0.60609(15) 0.42899(14) 0.0221(6) Uani 1 1 d . . . . .
C00I C 0.7022(2) 0.88792(15) 0.51390(14) 0.0229(6) Uani 1 1 d . . . . .
C00J C 1.0311(2) 0.70046(16) 0.47369(15) 0.0254(7) Uani 1 1 d . . . . .
H00J H 1.0031 0.6879 0.5133 0.030 Uiso 1 1 calc R . . . .
C00K C 0.5186(2) 0.84749(15) 0.25196(15) 0.0238(6) Uani 1 1 d . . . . .
C00L C 0.9312(2) 0.86795(15) 0.48677(15) 0.0245(6) Uani 1 1 d . . . . .
C00M C 0.7836(2) 0.74769(14) 0.48902(14) 0.0206(6) Uani 1 1 d . . . . .
H00A H 0.8372 0.7379 0.5283 0.025 Uiso 1 1 calc R . . . .
H00B H 0.7091 0.7356 0.4992 0.025 Uiso 1 1 calc R . . . .
C00N C 0.6851(2) 0.58418(16) 0.43851(15) 0.0258(7) Uani 1 1 d . . . . .
H00N H 0.6291 0.6179 0.4424 0.031 Uiso 1 1 calc R . . . .
C00O C 0.8736(3) 0.55612(16) 0.42549(15) 0.0265(7) Uani 1 1 d . . . . .
H00O H 0.9458 0.5711 0.4203 0.032 Uiso 1 1 calc R . . . .
C00P C 0.7063(2) 0.76972(15) 0.21491(14) 0.0212(6) Uani 1 1 d . . . . .
H00C H 0.6574 0.7608 0.1735 0.025 Uiso 1 1 calc R . . . .
H00D H 0.7828 0.7730 0.2048 0.025 Uiso 1 1 calc R . . . .
C00Q C 0.8713(3) 0.63384(17) 0.22679(16) 0.0314(7) Uani 1 1 d . . . . .
H00Q H 0.8926 0.6794 0.2138 0.038 Uiso 1 1 calc R . . . .
C00R C 0.5533(3) 0.67127(16) 0.26230(15) 0.0258(7) Uani 1 1 d . . . . .
C00S C 0.7007(2) 0.92028(15) 0.19867(14) 0.0229(6) Uani 1 1 d . . . . .
C00T C 0.8504(3) 0.48524(17) 0.42957(16) 0.0323(7) Uani 1 1 d . . . . .
H00T H 0.9065 0.4512 0.4272 0.039 Uiso 1 1 calc R . . . .
C00U C 0.4503(2) 0.82398(18) 0.19681(16) 0.0297(7) Uani 1 1 d . . . . .
H00U H 0.4801 0.8136 0.1573 0.036 Uiso 1 1 calc R . . . .
C00V C 0.6633(3) 0.51235(16) 0.44222(16) 0.0298(7) Uani 1 1 d . . . . .
H00V H 0.5917 0.4969 0.4483 0.036 Uiso 1 1 calc R . . . .
C00W C 0.5900(3) 0.87602(17) 0.50168(16) 0.0293(7) Uani 1 1 d . . . . .
H00W H 0.5622 0.8416 0.4701 0.035 Uiso 1 1 calc R . . . .
C00X C 0.7448(3) 0.46356(16) 0.43715(16) 0.0332(8) Uani 1 1 d . . . . .
H00X H 0.7287 0.4146 0.4389 0.040 Uiso 1 1 calc R . . . .
C00Y C 0.7423(3) 0.93773(16) 0.56054(15) 0.0294(7) Uani 1 1 d . . . . .
H00Y H 0.8190 0.9460 0.5695 0.035 Uiso 1 1 calc R . . . .
C00Z C 0.7450(3) 0.55825(16) 0.27442(16) 0.0327(8) Uani 1 1 d . . . . .
H00Z H 0.6793 0.5522 0.2937 0.039 Uiso 1 1 calc R . . . .
C010 C 0.9852(3) 0.85762(16) 0.55017(16) 0.0293(7) Uani 1 1 d . . . . .
H010 H 0.9471 0.8378 0.5833 0.035 Uiso 1 1 calc R . . . .
C011 C 1.1427(3) 0.70949(17) 0.47342(18) 0.0331(8) Uani 1 1 d . . . . .
H011 H 1.1917 0.7046 0.5130 0.040 Uiso 1 1 calc R . . . .
C012 C 0.8106(3) 0.93605(18) 0.19871(17) 0.0339(8) Uani 1 1 d . . . . .
H012 H 0.8642 0.9127 0.2286 0.041 Uiso 1 1 calc R . . . .
C013 C 0.4739(3) 0.86281(17) 0.30935(17) 0.0311(7) Uani 1 1 d . . . . .
H013 H 0.5197 0.8798 0.3469 0.037 Uiso 1 1 calc R . . . .
C014 C 0.5188(3) 0.91396(18) 0.53518(16) 0.0341(8) Uani 1 1 d . . . . .
H014 H 0.4421 0.9055 0.5267 0.041 Uiso 1 1 calc R . . . .
C015 C 0.4836(3) 0.67199(19) 0.31001(17) 0.0384(8) Uani 1 1 d . . . . .
H015 H 0.5083 0.6886 0.3531 0.046 Uiso 1 1 calc R . . . .
C016 C 0.6705(3) 0.97529(17) 0.59394(17) 0.0341(8) Uani 1 1 d . . . . .
H016 H 0.6982 1.0091 0.6261 0.041 Uiso 1 1 calc R . . . .
C017 C 0.9035(3) 0.50897(19) 0.23545(18) 0.0430(9) Uani 1 1 d . . . . .
H017 H 0.9473 0.4690 0.2286 0.052 Uiso 1 1 calc R . . . .
C018 C 0.2958(3) 0.83012(18) 0.25693(19) 0.0376(8) Uani 1 1 d . . . . .
H018 H 0.2195 0.8240 0.2587 0.045 Uiso 1 1 calc R . . . .
C019 C 0.3627(3) 0.85333(18) 0.31184(19) 0.0386(8) Uani 1 1 d . . . . .
H019 H 0.3326 0.8628 0.3514 0.046 Uiso 1 1 calc R . . . .
C01A C 0.3389(3) 0.81570(18) 0.19948(18) 0.0346(8) Uani 1 1 d . . . . .
H01A H 0.2922 0.8001 0.1617 0.042 Uiso 1 1 calc R . . . .
C01B C 0.5588(3) 0.96417(17) 0.58108(16) 0.0335(8) Uani 1 1 d . . . . .
H01B H 0.5097 0.9909 0.6036 0.040 Uiso 1 1 calc R . . . .
C01C C 0.6232(3) 0.95504(19) 0.15562(18) 0.0386(8) Uani 1 1 d . . . . .
H01C H 0.5475 0.9448 0.1554 0.046 Uiso 1 1 calc R . . . .
C01D C 0.9889(3) 0.89510(17) 0.43830(17) 0.0346(8) Uani 1 1 d . . . . .
H01D H 0.9529 0.9018 0.3949 0.041 Uiso 1 1 calc R . . . .
C01E C 0.7244(3) 0.74046(16) 0.35526(15) 0.0291(7) Uani 1 1 d . . . . .
H01E H 0.6528 0.7339 0.3728 0.035 Uiso 1 1 calc R . . . .
C01F C 0.9995(3) 0.7283(2) 0.35760(17) 0.0454(10) Uani 1 1 d . . . . .
H01F H 0.9505 0.7363 0.3185 0.054 Uiso 1 1 calc R . . . .
C01G C 0.7656(3) 1.01998(18) 0.11232(16) 0.0367(8) Uani 1 1 d . . . . .
H01G H 0.7877 1.0539 0.0825 0.044 Uiso 1 1 calc R . . . .
C01H C 0.9349(3) 0.5751(2) 0.21632(18) 0.0414(9) Uani 1 1 d . . . . .
H01H H 0.9998 0.5804 0.1960 0.050 Uiso 1 1 calc R . . . .
C01I C 0.6564(3) 1.0050(2) 0.11256(18) 0.0447(9) Uani 1 1 d . . . . .
H01I H 0.6030 1.0290 0.0830 0.054 Uiso 1 1 calc R . . . .
C01J C 0.3747(3) 0.6477(2) 0.2938(2) 0.0478(10) Uani 1 1 d . . . . .
H01J H 0.3273 0.6468 0.3270 0.057 Uiso 1 1 calc R . . . .
C01K C 0.8429(3) 0.98576(19) 0.15540(18) 0.0385(8) Uani 1 1 d . . . . .
H01K H 0.9185 0.9962 0.1555 0.046 Uiso 1 1 calc R . . . .
C01L C 0.8093(3) 0.50058(18) 0.26440(18) 0.0422(9) Uani 1 1 d . . . . .
H01L H 0.7885 0.4549 0.2775 0.051 Uiso 1 1 calc R . . . .
C01M C 1.0979(3) 0.9122(2) 0.4530(2) 0.0468(10) Uani 1 1 d . . . . .
H01M H 1.1373 0.9300 0.4195 0.056 Uiso 1 1 calc R . . . .
C01N C 1.1503(3) 0.9039(2) 0.5160(2) 0.0477(10) Uani 1 1 d . . . . .
H01N H 1.2251 0.9172 0.5260 0.057 Uiso 1 1 calc R . . . .
C01O C 1.0949(3) 0.87646(19) 0.56468(18) 0.0381(8) Uani 1 1 d . . . . .
H01O H 1.1316 0.8704 0.6080 0.046 Uiso 1 1 calc R . . . .
C01P C 1.1825(3) 0.7258(2) 0.4147(2) 0.0461(9) Uani 1 1 d . . . . .
H01P H 1.2592 0.7307 0.4139 0.055 Uiso 1 1 calc R . . . .
C01Q C 0.5116(3) 0.6480(2) 0.19912(18) 0.0434(9) Uani 1 1 d . . . . .
H01Q H 0.5579 0.6475 0.1653 0.052 Uiso 1 1 calc R . . . .
B01R B 1.0201(3) 0.79627(19) 0.17159(18) 0.0280(8) Uani 1 1 d . . . . .
B01S B 0.4790(3) 0.6990(2) 0.51807(19) 0.0339(9) Uani 1 1 d . . . . .
C01T C 0.3364(3) 0.6255(2) 0.2324(2) 0.0499(10) Uani 1 1 d . . . . .
H01T H 0.2626 0.6099 0.2225 0.060 Uiso 1 1 calc R . . . .
C01U C 0.4040(3) 0.6259(2) 0.1853(2) 0.0563(12) Uani 1 1 d . . . . .
H01U H 0.3772 0.6107 0.1420 0.068 Uiso 1 1 calc R . . . .
C01V C 1.1109(3) 0.7350(3) 0.35720(19) 0.0563(12) Uani 1 1 d . . . . .
H01V H 1.1391 0.7460 0.3173 0.068 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
Ni01 P2 2.1945(8) . ?
Ni01 P5 2.1891(8) . ?
Ni01 Cl06 2.1755(8) . ?
Ni01 C01E 1.990(3) . ?
P2 C00I 1.816(3) . ?
P2 C00L 1.806(3) . ?
P2 C00M 1.846(3) . ?
P003 C00G 1.783(3) . ?
P003 C00H 1.797(3) . ?
P003 C00M 1.794(3) . ?
P003 C01E 1.801(3) . ?
P004 C00F 1.802(3) . ?
P004 C00P 1.803(3) . ?
P004 C00R 1.796(3) . ?
P004 C01E 1.834(3) . ?
P5 C00K 1.815(3) . ?
P5 C00P 1.840(3) . ?
P5 C00S 1.809(3) . ?
F007 B01R 1.395(4) . ?
F008 B01R 1.387(4) . ?
F009 B01S 1.401(4) . ?
F00A B01S 1.398(4) . ?
F00B B01R 1.367(4) . ?
F00C B01R 1.368(4) . ?
F00D B01S 1.367(5) . ?
F00E B01S 1.367(5) . ?
C00F C00Q 1.390(5) . ?
C00F C00Z 1.392(4) . ?
C00G C00J 1.400(4) . ?
C00G C01F 1.383(4) . ?
C00H C00N 1.399(4) . ?
C00H C00O 1.400(4) . ?
C00I C00W 1.388(4) . ?
C00I C00Y 1.387(4) . ?
C00J H00J 0.9500 . ?
C00J C011 1.383(4) . ?
C00K C00U 1.391(4) . ?
C00K C013 1.389(4) . ?
C00L C010 1.394(4) . ?
C00L C01D 1.389(4) . ?
C00M H00A 0.9900 . ?
C00M H00B 0.9900 . ?
C00N H00N 0.9500 . ?
C00N C00V 1.390(4) . ?
C00O H00O 0.9500 . ?
C00O C00T 1.377(4) . ?
C00P H00C 0.9900 . ?
C00P H00D 0.9900 . ?
C00Q H00Q 0.9500 . ?
C00Q C01H 1.392(5) . ?
C00R C015 1.378(5) . ?
C00R C01Q 1.400(5) . ?
C00S C012 1.383(4) . ?
C00S C01C 1.380(4) . ?
C00T H00T 0.9500 . ?
C00T C00X 1.388(5) . ?
C00U H00U 0.9500 . ?
C00U C01A 1.386(4) . ?
C00V H00V 0.9500 . ?
C00V C00X 1.377(5) . ?
C00W H00W 0.9500 . ?
C00W C014 1.380(5) . ?
C00X H00X 0.9500 . ?
C00Y H00Y 0.9500 . ?
C00Y C016 1.381(5) . ?
C00Z H00Z 0.9500 . ?
C00Z C01L 1.378(5) . ?
C010 H010 0.9500 . ?
C010 C01O 1.390(4) . ?
C011 H011 0.9500 . ?
C011 C01P 1.388(5) . ?
C012 H012 0.9500 . ?
C012 C01K 1.385(5) . ?
C013 H013 0.9500 . ?
C013 C019 1.386(5) . ?
C014 H014 0.9500 . ?
C014 C01B 1.382(5) . ?
C015 H015 0.9500 . ?
C015 C01J 1.414(5) . ?
C016 H016 0.9500 . ?
C016 C01B 1.381(5) . ?
C017 H017 0.9500 . ?
C017 C01H 1.381(5) . ?
C017 C01L 1.375(6) . ?
C018 H018 0.9500 . ?
C018 C019 1.378(5) . ?
C018 C01A 1.377(5) . ?
C019 H019 0.9500 . ?
C01A H01A 0.9500 . ?
C01B H01B 0.9500 . ?
C01C H01C 0.9500 . ?
C01C C01I 1.389(5) . ?
C01D H01D 0.9500 . ?
C01D C01M 1.374(5) . ?
C01E H01E 1.0000 . ?
C01F H01F 0.9500 . ?
C01F C01V 1.377(5) . ?
C01G H01G 0.9500 . ?
C01G C01I 1.373(5) . ?
C01G C01K 1.374(5) . ?
C01H H01H 0.9500 . ?
C01I H01I 0.9500 . ?
C01J H01J 0.9500 . ?
C01J C01T 1.352(6) . ?
C01K H01K 0.9500 . ?
C01L H01L 0.9500 . ?
C01M H01M 0.9500 . ?
C01M C01N 1.375(6) . ?
C01N H01N 0.9500 . ?
C01N C01O 1.378(5) . ?
C01O H01O 0.9500 . ?
C01P H01P 0.9500 . ?
C01P C01V 1.388(6) . ?
C01Q H01Q 0.9500 . ?
C01Q C01U 1.382(5) . ?
C01T H01T 0.9500 . ?
C01T C01U 1.352(6) . ?
C01U H01U 0.9500 . ?
C01V H01V 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
P5 Ni01 P2 173.88(3) . . ?
Cl06 Ni01 P2 88.68(3) . . ?
Cl06 Ni01 P5 89.96(3) . . ?
C01E Ni01 P2 89.96(9) . . ?
C01E Ni01 P5 90.71(9) . . ?
C01E Ni01 Cl06 173.37(11) . . ?
C00I P2 Ni01 114.68(10) . . ?
C00I P2 C00M 104.99(13) . . ?
C00L P2 Ni01 113.73(11) . . ?
C00L P2 C00I 109.67(14) . . ?
C00L P2 C00M 105.94(13) . . ?
C00M P2 Ni01 107.03(10) . . ?
C00G P003 C00H 108.08(14) . . ?
C00G P003 C00M 107.24(13) . . ?
C00G P003 C01E 116.71(15) . . ?
C00H P003 C01E 113.96(14) . . ?
C00M P003 C00H 110.74(14) . . ?
C00M P003 C01E 99.60(14) . . ?
C00F P004 C00P 110.20(14) . . ?
C00F P004 C01E 116.67(14) . . ?
C00P P004 C01E 106.08(14) . . ?
C00R P004 C00F 107.05(14) . . ?
C00R P004 C00P 107.44(14) . . ?
C00R P004 C01E 109.08(15) . . ?
C00K P5 Ni01 107.08(10) . . ?
C00K P5 C00P 105.96(13) . . ?
C00P P5 Ni01 106.21(9) . . ?
C00S P5 Ni01 123.39(10) . . ?
C00S P5 C00K 109.20(14) . . ?
C00S P5 C00P 103.73(13) . . ?
C00Q C00F P004 121.4(2) . . ?
C00Q C00F C00Z 119.7(3) . . ?
C00Z C00F P004 118.9(2) . . ?
C00J C00G P003 117.7(2) . . ?
C01F C00G P003 121.7(3) . . ?
C01F C00G C00J 120.7(3) . . ?
C00N C00H P003 119.0(2) . . ?
C00N C00H C00O 120.1(3) . . ?
C00O C00H P003 120.9(2) . . ?
C00W C00I P2 118.0(2) . . ?
C00Y C00I P2 122.3(2) . . ?
C00Y C00I C00W 119.5(3) . . ?
C00G C00J H00J 120.1 . . ?
C011 C00J C00G 119.7(3) . . ?
C011 C00J H00J 120.1 . . ?
C00U C00K P5 122.1(2) . . ?
C013 C00K P5 118.3(2) . . ?
C013 C00K C00U 119.4(3) . . ?
C010 C00L P2 121.9(2) . . ?
C01D C00L P2 118.5(2) . . ?
C01D C00L C010 119.4(3) . . ?
P2 C00M H00A 110.9 . . ?
P2 C00M H00B 110.9 . . ?
P003 C00M P2 104.48(15) . . ?
P003 C00M H00A 110.9 . . ?
P003 C00M H00B 110.9 . . ?
H00A C00M H00B 108.9 . . ?
C00H C00N H00N 120.4 . . ?
C00V C00N C00H 119.1(3) . . ?
C00V C00N H00N 120.4 . . ?
C00H C00O H00O 120.1 . . ?
C00T C00O C00H 119.8(3) . . ?
C00T C00O H00O 120.1 . . ?
P004 C00P P5 106.05(15) . . ?
P004 C00P H00C 110.5 . . ?
P004 C00P H00D 110.5 . . ?
P5 C00P H00C 110.5 . . ?
P5 C00P H00D 110.5 . . ?
H00C C00P H00D 108.7 . . ?
C00F C00Q H00Q 120.2 . . ?
C00F C00Q C01H 119.6(3) . . ?
C01H C00Q H00Q 120.2 . . ?
C015 C00R P004 125.4(3) . . ?
C015 C00R C01Q 118.0(3) . . ?
C01Q C00R P004 116.5(2) . . ?
C012 C00S P5 117.4(2) . . ?
C01C C00S P5 123.1(2) . . ?
C01C C00S C012 119.5(3) . . ?
C00O C00T H00T 120.0 . . ?
C00O C00T C00X 119.9(3) . . ?
C00X C00T H00T 120.0 . . ?
C00K C00U H00U 120.0 . . ?
C01A C00U C00K 120.0(3) . . ?
C01A C00U H00U 120.0 . . ?
C00N C00V H00V 119.8 . . ?
C00X C00V C00N 120.3(3) . . ?
C00X C00V H00V 119.8 . . ?
C00I C00W H00W 119.9 . . ?
C014 C00W C00I 120.3(3) . . ?
C014 C00W H00W 119.9 . . ?
C00T C00X H00X 119.7 . . ?
C00V C00X C00T 120.6(3) . . ?
C00V C00X H00X 119.7 . . ?
C00I C00Y H00Y 120.1 . . ?
C016 C00Y C00I 119.8(3) . . ?
C016 C00Y H00Y 120.1 . . ?
C00F C00Z H00Z 120.0 . . ?
C01L C00Z C00F 120.1(3) . . ?
C01L C00Z H00Z 120.0 . . ?
C00L C010 H010 120.1 . . ?
C01O C010 C00L 119.8(3) . . ?
C01O C010 H010 120.1 . . ?
C00J C011 H011 120.4 . . ?
C00J C011 C01P 119.3(3) . . ?
C01P C011 H011 120.4 . . ?
C00S C012 H012 119.8 . . ?
C00S C012 C01K 120.4(3) . . ?
C01K C012 H012 119.8 . . ?
C00K C013 H013 120.0 . . ?
C019 C013 C00K 120.1(3) . . ?
C019 C013 H013 120.0 . . ?
C00W C014 H014 119.9 . . ?
C00W C014 C01B 120.2(3) . . ?
C01B C014 H014 119.9 . . ?
C00R C015 H015 120.5 . . ?
C00R C015 C01J 119.0(3) . . ?
C01J C015 H015 120.5 . . ?
C00Y C016 H016 119.7 . . ?
C00Y C016 C01B 120.7(3) . . ?
C01B C016 H016 119.7 . . ?
C01H C017 H017 119.7 . . ?
C01L C017 H017 119.7 . . ?
C01L C017 C01H 120.5(3) . . ?
C019 C018 H018 119.8 . . ?
C01A C018 H018 119.8 . . ?
C01A C018 C019 120.4(3) . . ?
C013 C019 H019 120.0 . . ?
C018 C019 C013 120.0(3) . . ?
C018 C019 H019 120.0 . . ?
C00U C01A H01A 120.0 . . ?
C018 C01A C00U 120.0(3) . . ?
C018 C01A H01A 120.0 . . ?
C014 C01B H01B 120.2 . . ?
C016 C01B C014 119.5(3) . . ?
C016 C01B H01B 120.2 . . ?
C00S C01C H01C 120.2 . . ?
C00S C01C C01I 119.7(3) . . ?
C01I C01C H01C 120.2 . . ?
C00L C01D H01D 119.9 . . ?
C01M C01D C00L 120.1(3) . . ?
C01M C01D H01D 119.9 . . ?
Ni01 C01E H01E 100.7 . . ?
P003 C01E Ni01 112.39(15) . . ?
P003 C01E P004 121.13(18) . . ?
P003 C01E H01E 100.7 . . ?
P004 C01E Ni01 116.29(16) . . ?
P004 C01E H01E 100.7 . . ?
C00G C01F H01F 120.4 . . ?
C01V C01F C00G 119.3(3) . . ?
C01V C01F H01F 120.4 . . ?
C01I C01G H01G 120.1 . . ?
C01I C01G C01K 119.8(3) . . ?
C01K C01G H01G 120.1 . . ?
C00Q C01H H01H 120.1 . . ?
C017 C01H C00Q 119.9(4) . . ?
C017 C01H H01H 120.1 . . ?
C01C C01I H01I 119.7 . . ?
C01G C01I C01C 120.6(3) . . ?
C01G C01I H01I 119.7 . . ?
C015 C01J H01J 119.1 . . ?
C01T C01J C015 121.8(3) . . ?
C01T C01J H01J 119.1 . . ?
C012 C01K H01K 120.0 . . ?
C01G C01K C012 120.0(3) . . ?
C01G C01K H01K 120.0 . . ?
C00Z C01L H01L 119.9 . . ?
C017 C01L C00Z 120.2(3) . . ?
C017 C01L H01L 119.9 . . ?
C01D C01M H01M 119.8 . . ?
C01D C01M C01N 120.5(3) . . ?
C01N C01M H01M 119.8 . . ?
C01M C01N H01N 119.8 . . ?
C01M C01N C01O 120.3(3) . . ?
C01O C01N H01N 119.8 . . ?
C010 C01O H01O 120.1 . . ?
C01N C01O C010 119.8(3) . . ?
C01N C01O H01O 120.1 . . ?
C011 C01P H01P 119.7 . . ?
C01V C01P C011 120.5(3) . . ?
C01V C01P H01P 119.7 . . ?
C00R C01Q H01Q 119.5 . . ?
C01U C01Q C00R 120.9(3) . . ?
C01U C01Q H01Q 119.5 . . ?
F008 B01R F007 110.0(3) . . ?
F00B B01R F007 108.5(3) . . ?
F00B B01R F008 109.3(3) . . ?
F00B B01R F00C 111.6(3) . . ?
F00C B01R F007 109.2(3) . . ?
F00C B01R F008 108.1(3) . . ?
F00A B01S F009 107.1(3) . . ?
F00D B01S F009 109.9(3) . . ?
F00D B01S F00A 109.1(3) . . ?
F00D B01S F00E 111.4(3) . . ?
F00E B01S F009 108.7(3) . . ?
F00E B01S F00A 110.5(3) . . ?
C01J C01T H01T 120.4 . . ?
C01U C01T C01J 119.3(4) . . ?
C01U C01T H01T 120.4 . . ?
C01Q C01U H01U 119.5 . . ?
C01T C01U C01Q 120.9(4) . . ?
C01T C01U H01U 119.5 . . ?
C01F C01V C01P 120.5(3) . . ?
C01F C01V H01V 119.8 . . ?
C01P C01V H01V 119.8 . . ?

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
Ni01 P2 C00I C00W 48.3(3) . . . . ?
Ni01 P2 C00I C00Y -127.8(2) . . . . ?
Ni01 P2 C00L C010 -169.0(2) . . . . ?
Ni01 P2 C00L C01D 6.4(3) . . . . ?
Ni01 P2 C00M P003 33.00(14) . . . . ?
Ni01 P5 C00K C00U -155.4(2) . . . . ?
Ni01 P5 C00K C013 19.2(3) . . . . ?
Ni01 P5 C00P P004 40.22(14) . . . . ?
Ni01 P5 C00S C012 46.6(3) . . . . ?
Ni01 P5 C00S C01C -135.8(3) . . . . ?
P2 C00I C00W C014 -175.5(2) . . . . ?
P2 C00I C00Y C016 175.5(2) . . . . ?
P2 C00L C010 C01O 177.2(3) . . . . ?
P2 C00L C01D C01M -176.2(3) . . . . ?
P003 C00G C00J C011 -179.2(2) . . . . ?
P003 C00G C01F C01V -178.8(3) . . . . ?
P003 C00H C00N C00V 176.2(2) . . . . ?
P003 C00H C00O C00T -176.5(2) . . . . ?
P004 C00F C00Q C01H 177.9(2) . . . . ?
P004 C00F C00Z C01L -177.2(2) . . . . ?
P004 C00R C015 C01J 179.9(3) . . . . ?
P004 C00R C01Q C01U -179.0(3) . . . . ?
P5 C00K C00U C01A 174.2(2) . . . . ?
P5 C00K C013 C019 -173.4(3) . . . . ?
P5 C00S C012 C01K 177.0(3) . . . . ?
P5 C00S C01C C01I -177.1(3) . . . . ?
C00F P004 C00P P5 -158.45(13) . . . . ?
C00F P004 C00R C015 120.3(3) . . . . ?
C00F P004 C00R C01Q -61.5(3) . . . . ?
C00F P004 C01E Ni01 132.66(17) . . . . ?
C00F P004 C01E P003 -10.0(3) . . . . ?
C00F C00Q C01H C017 -0.1(5) . . . . ?
C00F C00Z C01L C017 -1.2(5) . . . . ?
C00G P003 C00H C00N 174.9(2) . . . . ?
C00G P003 C00H C00O -6.8(3) . . . . ?
C00G P003 C00M P2 72.32(16) . . . . ?
C00G P003 C01E Ni01 -63.8(2) . . . . ?
C00G P003 C01E P004 80.1(2) . . . . ?
C00G C00J C011 C01P -1.8(5) . . . . ?
C00G C01F C01V C01P -2.3(7) . . . . ?
C00H P003 C00G C00J -71.8(3) . . . . ?
C00H P003 C00G C01F 109.3(3) . . . . ?
C00H P003 C00M P2 -169.96(13) . . . . ?
C00H P003 C01E Ni01 169.03(15) . . . . ?
C00H P003 C01E P004 -47.0(3) . . . . ?
C00H C00N C00V C00X 0.6(5) . . . . ?
C00H C00O C00T C00X 0.0(5) . . . . ?
C00I P2 C00L C010 61.1(3) . . . . ?
C00I P2 C00L C01D -123.5(3) . . . . ?
C00I P2 C00M P003 155.29(14) . . . . ?
C00I C00W C014 C01B 0.1(5) . . . . ?
C00I C00Y C016 C01B -0.5(5) . . . . ?
C00J C00G C01F C01V 2.3(6) . . . . ?
C00J C011 C01P C01V 1.9(6) . . . . ?
C00K P5 C00P P004 -73.44(17) . . . . ?
C00K P5 C00S C012 173.6(2) . . . . ?
C00K P5 C00S C01C -8.8(3) . . . . ?
C00K C00U C01A C018 -0.6(5) . . . . ?
C00K C013 C019 C018 -1.4(5) . . . . ?
C00L P2 C00I C00W 177.7(2) . . . . ?
C00L P2 C00I C00Y 1.6(3) . . . . ?
C00L P2 C00M P003 -88.68(16) . . . . ?
C00L C010 C01O C01N -1.3(5) . . . . ?
C00L C01D C01M C01N -1.2(6) . . . . ?
C00M P2 C00I C00W -68.9(3) . . . . ?
C00M P2 C00I C00Y 115.1(3) . . . . ?
C00M P2 C00L C010 -51.7(3) . . . . ?
C00M P2 C00L C01D 123.7(3) . . . . ?
C00M P003 C00G C00J 47.6(3) . . . . ?
C00M P003 C00G C01F -131.3(3) . . . . ?
C00M P003 C00H C00N 57.7(3) . . . . ?
C00M P003 C00H C00O -124.0(2) . . . . ?
C00M P003 C01E Ni01 51.11(19) . . . . ?
C00M P003 C01E P004 -165.0(2) . . . . ?
C00N C00H C00O C00T 1.8(5) . . . . ?
C00N C00V C00X C00T 1.3(5) . . . . ?
C00O C00H C00N C00V -2.1(4) . . . . ?
C00O C00T C00X C00V -1.5(5) . . . . ?
C00P P004 C00F C00Q 28.9(3) . . . . ?
C00P P004 C00F C00Z -152.4(2) . . . . ?
C00P P004 C00R C015 -121.4(3) . . . . ?
C00P P004 C00R C01Q 56.9(3) . . . . ?
C00P P004 C01E Ni01 9.5(2) . . . . ?
C00P P004 C01E P003 -133.1(2) . . . . ?
C00P P5 C00K C00U -42.3(3) . . . . ?
C00P P5 C00K C013 132.2(2) . . . . ?
C00P P5 C00S C012 -73.8(3) . . . . ?
C00P P5 C00S C01C 103.9(3) . . . . ?
C00Q C00F C00Z C01L 1.5(5) . . . . ?
C00R P004 C00F C00Q 145.4(3) . . . . ?
C00R P004 C00F C00Z -35.8(3) . . . . ?
C00R P004 C00P P5 85.26(17) . . . . ?
C00R P004 C01E Ni01 -105.95(19) . . . . ?
C00R P004 C01E P003 111.4(2) . . . . ?
C00R C015 C01J C01T -1.8(6) . . . . ?
C00R C01Q C01U C01T -0.5(7) . . . . ?
C00S P5 C00K C00U 68.9(3) . . . . ?
C00S P5 C00K C013 -116.6(2) . . . . ?
C00S P5 C00P P004 171.60(14) . . . . ?
C00S C012 C01K C01G 0.3(5) . . . . ?
C00S C01C C01I C01G 0.2(6) . . . . ?
C00U C00K C013 C019 1.3(5) . . . . ?
C00W C00I C00Y C016 -0.5(4) . . . . ?
C00W C014 C01B C016 -1.0(5) . . . . ?
C00Y C00I C00W C014 0.7(4) . . . . ?
C00Y C016 C01B C014 1.2(5) . . . . ?
C00Z C00F C00Q C01H -0.9(5) . . . . ?
C010 C00L C01D C01M -0.7(5) . . . . ?
C011 C01P C01V C01F 0.2(7) . . . . ?
C012 C00S C01C C01I 0.5(5) . . . . ?
C013 C00K C00U C01A -0.3(5) . . . . ?
C015 C00R C01Q C01U -0.6(6) . . . . ?
C015 C01J C01T C01U 0.7(7) . . . . ?
C019 C018 C01A C00U 0.5(5) . . . . ?
C01A C018 C019 C013 0.5(5) . . . . ?
C01C C00S C012 C01K -0.7(5) . . . . ?
C01D C00L C010 C01O 1.9(5) . . . . ?
C01D C01M C01N C01O 1.8(6) . . . . ?
C01E P003 C00G C00J 158.2(2) . . . . ?
C01E P003 C00G C01F -20.7(3) . . . . ?
C01E P003 C00H C00N -53.6(3) . . . . ?
C01E P003 C00H C00O 124.7(3) . . . . ?
C01E P003 C00M P2 -49.66(16) . . . . ?
C01E P004 C00F C00Q -92.1(3) . . . . ?
C01E P004 C00F C00Z 86.6(3) . . . . ?
C01E P004 C00P P5 -31.30(18) . . . . ?
C01E P004 C00R C015 -6.8(3) . . . . ?
C01E P004 C00R C01Q 171.5(3) . . . . ?
C01F C00G C00J C011 -0.2(5) . . . . ?
C01H C017 C01L C00Z 0.2(5) . . . . ?
C01I C01G C01K C012 0.3(6) . . . . ?
C01J C01T C01U C01Q 0.4(7) . . . . ?
C01K C01G C01I C01C -0.6(6) . . . . ?
C01L C017 C01H C00Q 0.5(5) . . . . ?
C01M C01N C01O C010 -0.6(6) . . . . ?
C01Q C00R C015 C01J 1.7(5) . . . . ?

_audit_contact_author            'L. Maser'
_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_abskorr
_database_code_depnum_ccdc_archive 'CCDC 1814007'
_audit_update_record             
;
2018-01-31 deposited with the CCDC.
2018-02-15 downloaded from the CCDC.
;
_audit_creation_date             2018-01-31
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '3(C102 H84 Ni2 P8), C4 H8 O, 1.5(C6 H14)'
_chemical_formula_sum            'C319 H281 Ni6 O P24'
_chemical_formula_weight         5225.96
_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'
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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                   14.102(3)
_cell_length_b                   14.186(3)
_cell_length_c                   39.126(8)
_cell_angle_alpha                91.13(3)
_cell_angle_beta                 97.92(3)
_cell_angle_gamma                119.53(3)
_cell_volume                     6710(3)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    2000
_cell_measurement_temperature    100
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1.0
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.613
_exptl_absorpt_correction_T_max  0.9574
_exptl_absorpt_correction_T_min  0.8758
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            brown
_exptl_crystal_colour_lustre     .
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.293
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             2731
_exptl_crystal_size_max          0.189
_exptl_crystal_size_mid          0.178
_exptl_crystal_size_min          0.071
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0695
_diffrn_reflns_av_unetI/netI     0.1364
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       49
_diffrn_reflns_limit_l_min       -49
_diffrn_reflns_number            80180
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         26.772
_diffrn_reflns_theta_min         1.585
_diffrn_ambient_temperature      100.0
_diffrn_detector                 'image plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  IPDS2
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                13130
_reflns_number_total             28059
_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       'STOE X-AREA'
_computing_data_collection       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.045
_refine_diff_density_min         -0.564
_refine_diff_density_rms         0.068
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.842
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1584
_refine_ls_number_reflns         28059
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1491
_refine_ls_R_factor_gt           0.0536
_refine_ls_restrained_S_all      0.842
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0566P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1098
_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, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C04X) = Uanis(C04V) = Uanis(C04Z) = Uanis(O04Q) = Uanis(C04Y)
Uanis(C9) = Uanis(C7) = Uanis(C6) = Uanis(C8) = Uanis(C10) = Uanis(C11)
3. Others
 Fixed Sof: O04Q(0.5) C04V(0.5) H04P(0.5) H04Q(0.5) C04X(0.5) H04R(0.5)
 H04S(0.5) C04Y(0.5) H04T(0.5) H04U(0.5) C04Z(0.5) H04V(0.5) H04W(0.5) C6(0.75)
 H6A(0.75) H6B(0.75) C7(0.75) H7A(0.75) H7B(0.75) C8(0.75) H8A(0.75) H8B(0.75)
 C9(0.75) H9A(0.75) H9B(0.75) H9C(0.75) C10(0.75) H10A(0.75) H10B(0.75)
 C11(0.75) H11A(0.75) H11B(0.75) H11C(0.75)
4.a Secondary CH2 refined with riding coordinates:
 C04V(H04P,H04Q), C04X(H04R,H04S), C04Y(H04T,H04U), C04Z(H04V,H04W), C6(H6A,
 H6B), C7(H7A,H7B), C8(H8A,H8B), C10(H10A,H10B)
4.b Aromatic/amide H refined with riding coordinates:
 C00N(H00N), C00U(H00U), C00V(H00V), C00Y(H00Y), C010(H010), C011(H011),
 C014(H014), C015(H015), C017(H017), C018(H018), C01C(H01C), C01D(H01D),
 C01E(H01E), C01F(H01F), C01G(H01G), C01H(H01H), C01I(H01I), C01J(H01J),
 C01K(H01K), C01M(H01M), C01O(H01O), C01P(H01P), C01R(H01R), C01S(H01S),
 C01T(H01T), C01U(H01U), C01V(H01V), C01W(H01W), C01Y(H01Y), C01Z(H01Z),
 C022(H022), C023(H023), C024(H024), C025(H025), C026(H026), C027(H027),
 C028(H028), C029(H029), C02A(H02A), C02B(H02B), C02C(H02C), C02D(H02D),
 C02E(H02E), C02I(H02I), C02J(H02J), C02K(H02K), C02L(H02L), C02M(H02M),
 C02N(H02N), C02O(H02O), C02P(H02P), C02Q(H02Q), C02R(H02R), C02S(H02S),
 C02T(H02T), C02U(H02U), C02V(H02V), C02W(H02W), C02X(H02X), C02Y(H02Y),
 C02Z(H02Z), C030(H030), C031(H031), C032(H032), C033(H033), C034(H034),
 C035(H035), C036(H036), C037(H037), C038(H038), C039(H039), C03A(H03A),
 C03B(H03B), C03C(H03C), C03D(H03D), C03E(H03E), C03F(H03F), C03G(H03G),
 C03H(H03H), C03I(H03I), C03J(H03J), C03K(H03K), C03L(H03L), C03M(H03M),
 C03N(H03N), C03P(H03P), C03Q(H03Q), C03R(H03R), C03S(H03S), C03T(H03T),
 C03U(H03U), C03V(H03V), C03W(H03W), C03X(H03X), C03Y(H03Y), C03Z(H03Z),
 C040(H040), C041(H041), C042(H042), C043(H043), C044(H044), C045(H045),
 C046(H046), C047(H047), C048(H048), C04A(H04A), C04B(H04B), C04C(H04C),
 C04D(H04D), C04E(H04E), C04F(H04F), C04G(H04G), C04H(H04H), C04I(H04I),
 C04J(H04J), C04K(H04K), C04L(H04L), C04M(H04M), C04N(H04N), C04O(H04O)
4.c Idealised Me refined as rotating group:
 C9(H9A,H9B,H9C), C11(H11A,H11B,H11C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_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
Ni01 Ni 0.12528(5) 0.14366(5) 0.48284(2) 0.03845(14) Uani 1 1 d . . . . .
Ni02 Ni 0.23159(5) 0.65772(5) 0.20758(2) 0.04313(15) Uani 1 1 d . . . . .
Ni03 Ni 0.40412(5) 0.85767(5) 0.13499(2) 0.04626(16) Uani 1 1 d . . . . .
P004 P 0.01737(10) 0.08494(9) 0.42061(3) 0.0396(3) Uani 1 1 d . . . . .
P005 P 0.29283(10) 0.28433(9) 0.49675(3) 0.0400(3) Uani 1 1 d . . . . .
P006 P -0.06006(10) -0.11764(9) 0.46816(3) 0.0400(3) Uani 1 1 d . . . . .
P007 P 0.28013(9) 0.23274(10) 0.42504(3) 0.0400(3) Uani 1 1 d . . . . .
P008 P 0.09313(10) 0.48911(10) 0.20792(3) 0.0448(3) Uani 1 1 d . . . . .
P009 P 0.07524(10) 0.59942(10) 0.26579(3) 0.0445(3) Uani 1 1 d . . . . .
P00A P 0.33210(10) 0.89343(10) 0.17654(3) 0.0451(3) Uani 1 1 d . . . . .
P00B P 0.54997(11) 0.79295(10) 0.13884(3) 0.0459(3) Uani 1 1 d . . . . .
P00C P 0.27908(10) 0.82197(10) 0.25307(3) 0.0440(3) Uani 1 1 d . . . . .
P00D P 0.33606(10) 0.63897(10) 0.17426(3) 0.0441(3) Uani 1 1 d . . . . .
P00E P 0.37001(12) 0.93669(12) 0.09029(4) 0.0546(4) Uani 1 1 d . . . . .
P00F P 0.53927(12) 0.90568(11) 0.07107(4) 0.0523(3) Uani 1 1 d . . . . .
C00G C -0.0500(4) 0.1674(4) 0.41657(11) 0.0404(11) Uani 1 1 d . . . . .
C00H C 0.3866(4) 0.2596(4) 0.52749(12) 0.0414(11) Uani 1 1 d . . . . .
C00I C -0.0254(4) 0.0188(4) 0.45848(11) 0.0391(10) Uani 1 1 d . . . . .
C00J C 0.5757(4) 0.6830(4) 0.12645(13) 0.0458(12) Uani 1 1 d . . . . .
C00K C 0.2378(4) 0.9223(4) 0.26206(12) 0.0439(11) Uani 1 1 d . . . . .
C00L C 0.1522(3) 0.1482(3) 0.43521(11) 0.0375(10) Uani 1 1 d . . . . .
C00M C 0.3547(4) 0.3216(4) 0.46009(12) 0.0425(11) Uani 1 1 d . . . . .
C00N C 0.2976(4) 1.0140(4) 0.28604(13) 0.0501(12) Uani 1 1 d . . . . .
H00N H 0.3672 1.0294 0.2985 0.060 Uiso 1 1 calc R . . . .
C00O C -0.1409(4) -0.2071(4) 0.42787(12) 0.0424(11) Uani 1 1 d . . . . .
C00P C 0.2806(4) 0.3025(4) 0.38627(12) 0.0423(11) Uani 1 1 d . . . . .
C00Q C 0.1113(4) 0.6153(4) 0.31300(12) 0.0453(11) Uani 1 1 d . . . . .
C00R C 0.1148(4) 0.3725(4) 0.20240(13) 0.0455(12) Uani 1 1 d . . . . .
C00S C -0.0463(4) 0.6177(4) 0.25958(12) 0.0456(11) Uani 1 1 d . . . . .
C00T C 0.3467(4) 0.1552(4) 0.41384(12) 0.0412(11) Uani 1 1 d . . . . .
C00U C -0.2282(4) -0.1984(4) 0.41043(13) 0.0495(12) Uani 1 1 d . . . . .
H00U H -0.2444 -0.1460 0.4193 0.059 Uiso 1 1 calc R . . . .
C00V C 0.1044(4) 0.7665(4) 0.16054(12) 0.0474(12) Uani 1 1 d . . . . .
H00V H 0.1166 0.7082 0.1664 0.057 Uiso 1 1 calc R . . . .
C00W C -0.0304(4) 0.0070(3) 0.37780(11) 0.0397(10) Uani 1 1 d . . . . .
C00X C 0.0584(4) -0.1398(4) 0.47399(12) 0.0412(11) Uani 1 1 d . . . . .
C00Y C 0.2020(4) 0.2568(4) 0.35675(12) 0.0445(11) Uani 1 1 d . . . . .
H00Y H 0.1429 0.1842 0.3559 0.053 Uiso 1 1 calc R . . . .
C00Z C 0.3305(4) 0.8208(4) 0.21403(13) 0.0438(11) Uani 1 1 d . . . . .
C010 C 0.3604(4) 0.1520(4) 0.53024(12) 0.0475(12) Uani 1 1 d . . . . .
H010 H 0.2912 0.0944 0.5187 0.057 Uiso 1 1 calc R . . . .
C011 C -0.1635(4) 0.1223(4) 0.41445(12) 0.0485(12) Uani 1 1 d . . . . .
H011 H -0.2085 0.0460 0.4150 0.058 Uiso 1 1 calc R . . . .
C012 C -0.0236(4) 0.4530(4) 0.17194(12) 0.0454(11) Uani 1 1 d . . . . .
C013 C 0.4471(4) 0.7668(4) 0.16549(14) 0.0444(11) Uani 1 1 d . . . . .
C014 C -0.0206(4) -0.1189(4) 0.33893(14) 0.0584(14) Uani 1 1 d . . . . .
H014 H 0.0056 -0.1674 0.3347 0.070 Uiso 1 1 calc R . . . .
C015 C 0.2070(4) 0.3144(4) 0.32808(13) 0.0486(12) Uani 1 1 d . . . . .
H015 H 0.1516 0.2810 0.3080 0.058 Uiso 1 1 calc R . . . .
C016 C 0.2985(4) 0.4070(4) 0.51554(13) 0.0439(11) Uani 1 1 d . . . . .
C017 C 0.4886(4) 0.3417(4) 0.54393(13) 0.0539(13) Uani 1 1 d . . . . .
H017 H 0.5088 0.4155 0.5416 0.065 Uiso 1 1 calc R . . . .
C018 C 0.1285(4) 0.7083(4) 0.33250(13) 0.0497(12) Uani 1 1 d . . . . .
H018 H 0.1196 0.7624 0.3209 0.060 Uiso 1 1 calc R . . . .
C019 C 0.4234(4) 1.0351(4) 0.19504(12) 0.0457(11) Uani 1 1 d . . . . .
C01A C 0.3527(5) 1.0545(5) 0.09811(14) 0.0565(14) Uani 1 1 d . . . . .
C01B C 0.4059(4) 0.5771(4) 0.20047(13) 0.0453(11) Uani 1 1 d . . . . .
C01C C -0.0729(4) 0.6463(4) 0.22767(13) 0.0514(12) Uani 1 1 d . . . . .
H01C H -0.0295 0.6543 0.2102 0.062 Uiso 1 1 calc R . . . .
C01D C 0.2374(4) -0.1081(4) 0.46471(13) 0.0501(12) Uani 1 1 d . . . . .
H01D H 0.3028 -0.0671 0.4552 0.060 Uiso 1 1 calc R . . . .
C01E C 0.0141(4) 0.2790(4) 0.41589(13) 0.0530(13) Uani 1 1 d . . . . .
H01E H 0.0920 0.3118 0.4174 0.064 Uiso 1 1 calc R . . . .
C01F C 0.3567(4) 0.0215(4) 0.37744(14) 0.0540(13) Uani 1 1 d . . . . .
H01F H 0.3282 -0.0293 0.3574 0.065 Uiso 1 1 calc R . . . .
C01G C 0.4370(4) 0.1665(4) 0.43604(13) 0.0498(12) Uani 1 1 d . . . . .
H01G H 0.4653 0.2156 0.4565 0.060 Uiso 1 1 calc R . . . .
C01H C 0.1376(4) 0.9025(4) 0.24393(13) 0.0509(12) Uani 1 1 d . . . . .
H01H H 0.0958 0.8402 0.2275 0.061 Uiso 1 1 calc R . . . .
C01I C 0.1555(4) -0.0792(4) 0.46083(12) 0.0450(11) Uani 1 1 d . . . . .
H01I H 0.1661 -0.0176 0.4491 0.054 Uiso 1 1 calc R . . . .
C01J C 0.4876(4) 0.1070(4) 0.42893(14) 0.0518(13) Uani 1 1 d . . . . .
H01J H 0.5506 0.1167 0.4444 0.062 Uiso 1 1 calc R . . . .
C01K C 0.2570(5) 1.0835(4) 0.29200(14) 0.0578(14) Uani 1 1 d . . . . .
H01K H 0.2982 1.1454 0.3086 0.069 Uiso 1 1 calc R . . . .
C01L C 0.2707(4) 0.5558(4) 0.13288(13) 0.0479(12) Uani 1 1 d . . . . .
C01M C -0.1188(4) -0.2849(4) 0.41439(13) 0.0509(12) Uani 1 1 d . . . . .
H01M H -0.0595 -0.2924 0.4260 0.061 Uiso 1 1 calc R . . . .
C01N C 0.3969(4) 0.8563(4) 0.28711(12) 0.0453(11) Uani 1 1 d . . . . .
C01O C -0.1124(4) 0.6040(4) 0.28452(13) 0.0518(12) Uani 1 1 d . . . . .
H01O H -0.0957 0.5839 0.3066 0.062 Uiso 1 1 calc R . . . .
C01P C -0.1003(4) 0.0174(4) 0.35159(13) 0.0502(12) Uani 1 1 d . . . . .
H01P H -0.1285 0.0643 0.3558 0.060 Uiso 1 1 calc R . . . .
C01Q C 0.0474(4) 0.4770(4) 0.24760(12) 0.0460(11) Uani 1 1 d . . . . .
C01R C 0.4206(4) 0.5973(4) 0.23617(13) 0.0510(13) Uani 1 1 d . . . . .
H01R H 0.3948 0.6408 0.2457 0.061 Uiso 1 1 calc R . . . .
C01S C -0.1614(4) 0.6632(4) 0.22079(14) 0.0550(13) Uani 1 1 d . . . . .
H01S H -0.1792 0.6824 0.1987 0.066 Uiso 1 1 calc R . . . .
C01T C 0.4490(4) 0.5166(4) 0.18691(13) 0.0487(12) Uani 1 1 d . . . . .
H01T H 0.4445 0.5061 0.1626 0.058 Uiso 1 1 calc R . . . .
C01U C 0.0968(4) 0.9718(4) 0.24926(14) 0.0558(13) Uani 1 1 d . . . . .
H01U H 0.0282 0.9575 0.2363 0.067 Uiso 1 1 calc R . . . .
C01V C 0.2393(4) 0.4463(4) 0.12811(14) 0.0535(13) Uani 1 1 d . . . . .
H01V H 0.2586 0.4134 0.1467 0.064 Uiso 1 1 calc R . . . .
C01W C 0.4972(4) 0.6037(4) 0.10065(13) 0.0523(13) Uani 1 1 d . . . . .
H01W H 0.4384 0.6121 0.0891 0.063 Uiso 1 1 calc R . . . .
C01X C 0.1771(4) 0.6944(4) 0.24574(12) 0.0445(11) Uani 1 1 d . . . . .
C01Y C 0.4982(4) 0.4721(4) 0.20923(14) 0.0537(13) Uani 1 1 d . . . . .
H01Y H 0.5243 0.4284 0.2000 0.064 Uiso 1 1 calc R . . . .
C01Z C 0.1630(4) 0.2057(4) 0.19705(15) 0.0583(14) Uani 1 1 d . . . . .
H01Z H 0.1803 0.1492 0.1952 0.070 Uiso 1 1 calc R . . . .
C020 C 0.4971(4) 0.8380(4) 0.10638(12) 0.0448(11) Uani 1 1 d . . . . .
C021 C 0.1946(4) 0.8742(4) 0.16487(12) 0.0482(12) Uani 1 1 d . . . . .
C022 C 0.1863(4) 0.3634(4) 0.22816(13) 0.0497(12) Uani 1 1 d . . . . .
H022 H 0.2188 0.4149 0.2481 0.060 Uiso 1 1 calc R . . . .
C023 C 0.0665(4) 0.2948(4) 0.17377(14) 0.0529(13) Uani 1 1 d . . . . .
H023 H 0.0169 0.2992 0.1557 0.064 Uiso 1 1 calc R . . . .
C024 C 0.5365(4) 1.0767(4) 0.19536(13) 0.0541(13) Uani 1 1 d . . . . .
H024 H 0.5599 1.0328 0.1846 0.065 Uiso 1 1 calc R . . . .
C025 C 0.3062(4) 0.0814(4) 0.38382(13) 0.0498(12) Uani 1 1 d . . . . .
H025 H 0.2443 0.0726 0.3679 0.060 Uiso 1 1 calc R . . . .
C026 C 0.0472(4) -0.2271(4) 0.49249(13) 0.0496(12) Uani 1 1 d . . . . .
H026 H -0.0167 -0.2670 0.5028 0.060 Uiso 1 1 calc R . . . .
C027 C 0.2116(4) 0.2821(4) 0.22568(14) 0.0552(13) Uani 1 1 d . . . . .
H027 H 0.2622 0.2782 0.2435 0.066 Uiso 1 1 calc R . . . .
C028 C 0.4478(4) 0.0352(4) 0.39998(14) 0.0513(13) Uani 1 1 d . . . . .
H028 H 0.4826 -0.0054 0.3953 0.062 Uiso 1 1 calc R . . . .
C029 C -0.0882(4) -0.1073(4) 0.31311(14) 0.0591(14) Uani 1 1 d . . . . .
H029 H -0.1066 -0.1458 0.2909 0.071 Uiso 1 1 calc R . . . .
C02A C 0.3321(4) 0.4490(4) 0.55023(13) 0.0487(12) Uani 1 1 d . . . . .
H02A H 0.3559 0.4135 0.5667 0.058 Uiso 1 1 calc R . . . .
C02B C 0.6636(4) 0.6727(4) 0.14163(14) 0.0535(13) Uani 1 1 d . . . . .
H02B H 0.7198 0.7281 0.1585 0.064 Uiso 1 1 calc R . . . .
C02C C 0.2238(4) -0.1957(4) 0.48227(13) 0.0531(13) Uani 1 1 d . . . . .
H02C H 0.2800 -0.2149 0.4851 0.064 Uiso 1 1 calc R . . . .
C02D C 0.0106(4) -0.0614(4) 0.37117(13) 0.0477(12) Uani 1 1 d . . . . .
H02D H 0.0598 -0.0685 0.3887 0.057 Uiso 1 1 calc R . . . .
C02E C 0.2379(4) 0.6000(4) 0.10478(13) 0.0539(13) Uani 1 1 d . . . . .
H02E H 0.2570 0.6743 0.1073 0.065 Uiso 1 1 calc R . . . .
C02F C 0.4998(4) 0.8117(4) 0.03248(13) 0.0546(13) Uani 1 1 d . . . . .
C02G C 0.6877(4) 0.9851(4) 0.07412(13) 0.0559(13) Uani 1 1 d . . . . .
C02H C 0.6755(4) 0.8914(4) 0.16824(13) 0.0494(12) Uani 1 1 d . . . . .
C02I C 0.1725(4) 0.9557(4) 0.15467(12) 0.0506(12) Uani 1 1 d . . . . .
H02I H 0.2318 1.0286 0.1564 0.061 Uiso 1 1 calc R . . . .
C02J C 0.1260(4) 0.5381(4) 0.33022(13) 0.0512(12) Uani 1 1 d . . . . .
H02J H 0.1142 0.4744 0.3175 0.061 Uiso 1 1 calc R . . . .
C02K C 0.2634(4) 0.4612(4) 0.49228(15) 0.0606(14) Uani 1 1 d . . . . .
H02K H 0.2402 0.4341 0.4684 0.073 Uiso 1 1 calc R . . . .
C02L C 0.1579(4) 0.7223(4) 0.36807(14) 0.0551(13) Uani 1 1 d . . . . .
H02L H 0.1685 0.7854 0.3809 0.066 Uiso 1 1 calc R . . . .
C02M C 0.5534(5) 0.8403(5) 0.00346(14) 0.0592(14) Uani 1 1 d . . . . .
H02M H 0.6183 0.9092 0.0045 0.071 Uiso 1 1 calc R . . . .
C02N C 0.3926(4) 1.1006(4) 0.21199(12) 0.0504(12) Uani 1 1 d . . . . .
H02N H 0.3169 1.0737 0.2133 0.061 Uiso 1 1 calc R . . . .
C02O C 0.4709(5) 1.2041(4) 0.22696(14) 0.0574(14) Uani 1 1 d . . . . .
H02O H 0.4479 1.2482 0.2377 0.069 Uiso 1 1 calc R . . . .
C02P C -0.1313(4) 0.4046(4) 0.17842(14) 0.0579(14) Uani 1 1 d . . . . .
H02P H -0.1444 0.3927 0.2015 0.069 Uiso 1 1 calc R . . . .
C02Q C -0.0005(4) 0.7453(4) 0.14799(13) 0.0542(13) Uani 1 1 d . . . . .
H02Q H -0.0602 0.6725 0.1457 0.065 Uiso 1 1 calc R . . . .
C02R C 0.1565(5) 1.0619(4) 0.27357(14) 0.0544(13) Uani 1 1 d . . . . .
H02R H 0.1281 1.1089 0.2776 0.065 Uiso 1 1 calc R . . . .
C02S C 0.7099(5) 0.8620(5) 0.19904(14) 0.0591(14) Uani 1 1 d . . . . .
H02S H 0.6722 0.7884 0.2042 0.071 Uiso 1 1 calc R . . . .
C02T C 0.4988(4) 0.9505(4) 0.28811(14) 0.0543(13) Uani 1 1 d . . . . .
H02T H 0.5070 1.0006 0.2714 0.065 Uiso 1 1 calc R . . . .
C02U C -0.0074(4) 0.4733(4) 0.13848(13) 0.0527(13) Uani 1 1 d . . . . .
H02U H 0.0658 0.5086 0.1335 0.063 Uiso 1 1 calc R . . . .
C02V C -0.1298(4) -0.0403(4) 0.31912(14) 0.0596(14) Uani 1 1 d . . . . .
H02V H -0.1782 -0.0333 0.3013 0.071 Uiso 1 1 calc R . . . .
C02W C 0.0900(5) 0.2110(4) 0.17137(14) 0.0602(14) Uani 1 1 d . . . . .
H02W H 0.0556 0.1575 0.1519 0.072 Uiso 1 1 calc R . . . .
C02X C 0.3311(4) 0.5430(4) 0.56102(14) 0.0568(14) Uani 1 1 d . . . . .
H02X H 0.3549 0.5715 0.5847 0.068 Uiso 1 1 calc R . . . .
C02Y C 0.1278(4) -0.2559(4) 0.49587(13) 0.0548(13) Uani 1 1 d . . . . .
H02Y H 0.1177 -0.3174 0.5076 0.066 Uiso 1 1 calc R . . . .
C02Z C 0.0665(4) 0.9330(4) 0.14214(13) 0.0555(13) Uani 1 1 d . . . . .
H02Z H 0.0537 0.9907 0.1359 0.067 Uiso 1 1 calc R . . . .
C030 C 0.4343(4) 0.1285(4) 0.54965(14) 0.0535(13) Uani 1 1 d . . . . .
H030 H 0.4155 0.0547 0.5511 0.064 Uiso 1 1 calc R . . . .
C031 C 0.5097(4) 0.4909(4) 0.24470(14) 0.0557(13) Uani 1 1 d . . . . .
H031 H 0.5431 0.4598 0.2598 0.067 Uiso 1 1 calc R . . . .
C032 C -0.1827(4) -0.3511(4) 0.38422(14) 0.0583(14) Uani 1 1 d . . . . .
H032 H -0.1667 -0.4034 0.3752 0.070 Uiso 1 1 calc R . . . .
C033 C -0.2020(4) 0.6195(4) 0.27727(14) 0.0574(14) Uani 1 1 d . . . . .
H033 H -0.2485 0.6072 0.2941 0.069 Uiso 1 1 calc R . . . .
C034 C -0.2245(4) 0.6524(4) 0.24608(14) 0.0568(13) Uani 1 1 d . . . . .
H034 H -0.2832 0.6677 0.2418 0.068 Uiso 1 1 calc R . . . .
C035 C 0.2918(4) 0.4194(4) 0.32869(14) 0.0581(14) Uani 1 1 d . . . . .
H035 H 0.2962 0.4585 0.3090 0.070 Uiso 1 1 calc R . . . .
C036 C -0.2015(4) 0.3922(4) 0.11838(15) 0.0607(14) Uani 1 1 d . . . . .
H036 H -0.2622 0.3696 0.1000 0.073 Uiso 1 1 calc R . . . .
C037 C -0.2927(4) -0.2653(4) 0.38002(13) 0.0564(13) Uani 1 1 d . . . . .
H037 H -0.3522 -0.2584 0.3682 0.068 Uiso 1 1 calc R . . . .
C038 C 0.4038(5) 0.7102(5) 0.02946(14) 0.0602(14) Uani 1 1 d . . . . .
H038 H 0.3651 0.6891 0.0485 0.072 Uiso 1 1 calc R . . . .
C039 C -0.2694(5) -0.3415(4) 0.36722(14) 0.0637(15) Uani 1 1 d . . . . .
H039 H -0.3132 -0.3875 0.3466 0.076 Uiso 1 1 calc R . . . .
C03A C 0.1795(4) 0.5385(5) 0.07404(15) 0.0620(14) Uani 1 1 d . . . . .
H03A H 0.1582 0.5701 0.0555 0.074 Uiso 1 1 calc R . . . .
C03B C 0.2956(4) 0.5943(4) 0.53733(16) 0.0598(14) Uani 1 1 d . . . . .
H03B H 0.2947 0.6580 0.5447 0.072 Uiso 1 1 calc R . . . .
C03C C 0.1810(4) 0.3846(5) 0.09705(15) 0.0638(15) Uani 1 1 d . . . . .
H03C H 0.1611 0.3101 0.0943 0.077 Uiso 1 1 calc R . . . .
C03D C -0.0212(5) 0.8282(5) 0.13855(14) 0.0597(14) Uani 1 1 d . . . . .
H03D H -0.0941 0.8128 0.1298 0.072 Uiso 1 1 calc R . . . .
C03E C 0.3880(4) 0.7846(4) 0.31205(13) 0.0529(13) Uani 1 1 d . . . . .
H03E H 0.3197 0.7193 0.3116 0.063 Uiso 1 1 calc R . . . .
C03F C 0.5035(5) 0.5121(4) 0.09143(14) 0.0608(14) Uani 1 1 d . . . . .
H03F H 0.4490 0.4577 0.0740 0.073 Uiso 1 1 calc R . . . .
C03G C 0.5625(4) 0.3177(4) 0.56396(14) 0.0595(14) Uani 1 1 d . . . . .
H03G H 0.6318 0.3751 0.5755 0.071 Uiso 1 1 calc R . . . .
C03H C 0.5911(5) 0.5012(5) 0.10818(15) 0.0624(15) Uani 1 1 d . . . . .
H03H H 0.5951 0.4379 0.1027 0.075 Uiso 1 1 calc R . . . .
C03I C -0.1480(5) 0.2968(5) 0.41059(14) 0.0630(15) Uani 1 1 d . . . . .
H03I H -0.1809 0.3413 0.4083 0.076 Uiso 1 1 calc R . . . .
C03J C 0.4776(4) 0.8072(5) 0.33756(14) 0.0618(14) Uani 1 1 d . . . . .
H03J H 0.4704 0.7578 0.3544 0.074 Uiso 1 1 calc R . . . .
C03K C 0.4726(4) 0.5547(4) 0.25825(14) 0.0565(13) Uani 1 1 d . . . . .
H03K H 0.4827 0.5696 0.2827 0.068 Uiso 1 1 calc R . . . .
C03L C 0.3651(4) 0.4097(4) 0.38687(14) 0.0626(15) Uani 1 1 d . . . . .
H03L H 0.4197 0.4438 0.4071 0.075 Uiso 1 1 calc R . . . .
C03M C 0.1416(5) 0.7856(5) 0.07553(15) 0.0644(15) Uani 1 1 d . . . . .
H03M H 0.1416 0.8041 0.0990 0.077 Uiso 1 1 calc R . . . .
C03N C 0.6152(4) 1.1794(5) 0.21076(14) 0.0597(14) Uani 1 1 d . . . . .
H03N H 0.6915 1.2055 0.2106 0.072 Uiso 1 1 calc R . . . .
C03O C 0.2396(5) 0.8395(5) 0.06253(14) 0.0607(14) Uani 1 1 d . . . . .
C03P C -0.0947(5) 0.4438(5) 0.11188(14) 0.0618(14) Uani 1 1 d . . . . .
H03P H -0.0812 0.4592 0.0890 0.074 Uiso 1 1 calc R . . . .
C03Q C 0.7296(4) 0.9997(4) 0.16248(14) 0.0580(14) Uani 1 1 d . . . . .
H03Q H 0.7061 1.0214 0.1417 0.070 Uiso 1 1 calc R . . . .
C03R C 0.1578(4) 0.5531(5) 0.36587(14) 0.0590(14) Uani 1 1 d . . . . .
H03R H 0.1701 0.5008 0.3774 0.071 Uiso 1 1 calc R . . . .
C03S C -0.0358(5) 0.3425(4) 0.41293(15) 0.0632(15) Uani 1 1 d . . . . .
H03S H 0.0086 0.4189 0.4125 0.076 Uiso 1 1 calc R . . . .
C03T C 0.1513(4) 0.4306(5) 0.06997(15) 0.0667(16) Uani 1 1 d . . . . .
H03T H 0.1115 0.3879 0.0485 0.080 Uiso 1 1 calc R . . . .
C03U C 0.7439(5) 1.0997(5) 0.07755(14) 0.0661(16) Uani 1 1 d . . . . .
H03U H 0.7028 1.1364 0.0767 0.079 Uiso 1 1 calc R . . . .
C03V C -0.2126(4) 0.1866(5) 0.41158(14) 0.0578(14) Uani 1 1 d . . . . .
H03V H -0.2902 0.1545 0.4103 0.069 Uiso 1 1 calc R . . . .
C03W C 0.4373(5) 1.1423(5) 0.11985(14) 0.0588(14) Uani 1 1 d . . . . .
H03W H 0.5020 1.1400 0.1292 0.071 Uiso 1 1 calc R . . . .
C03X C 0.5351(4) 0.2108(4) 0.56698(14) 0.0592(14) Uani 1 1 d . . . . .
H03X H 0.5847 0.1940 0.5808 0.071 Uiso 1 1 calc R . . . .
C03Y C 0.2614(5) 1.0611(5) 0.08347(16) 0.0667(16) Uani 1 1 d . . . . .
H03Y H 0.2036 1.0025 0.0679 0.080 Uiso 1 1 calc R . . . .
C03Z C 0.6706(5) 0.5809(5) 0.13238(16) 0.0627(15) Uani 1 1 d . . . . .
H03Z H 0.7314 0.5742 0.1431 0.075 Uiso 1 1 calc R . . . .
C040 C 0.3705(5) 0.4675(5) 0.35814(16) 0.0722(17) Uani 1 1 d . . . . .
H040 H 0.4287 0.5405 0.3589 0.087 Uiso 1 1 calc R . . . .
C041 C 0.5132(6) 0.7701(6) -0.02636(15) 0.0716(17) Uani 1 1 d . . . . .
H041 H 0.5513 0.7903 -0.0456 0.086 Uiso 1 1 calc R . . . .
C042 C 0.5818(5) 1.2444(4) 0.22652(14) 0.0585(14) Uani 1 1 d . . . . .
H042 H 0.6348 1.3158 0.2369 0.070 Uiso 1 1 calc R . . . .
C043 C 0.7516(4) 0.9348(5) 0.07554(14) 0.0595(14) Uani 1 1 d . . . . .
H043 H 0.7161 0.8576 0.0734 0.071 Uiso 1 1 calc R . . . .
C044 C 0.2618(5) 0.5537(5) 0.50316(16) 0.0675(16) Uani 1 1 d . . . . .
H044 H 0.2370 0.5891 0.4869 0.081 Uiso 1 1 calc R . . . .
C045 C 0.4183(5) 0.6709(6) -0.02850(14) 0.0724(17) Uani 1 1 d . . . . .
H045 H 0.3899 0.6233 -0.0493 0.087 Uiso 1 1 calc R . . . .
C046 C 0.7997(6) 0.9404(7) 0.22232(16) 0.0788(19) Uani 1 1 d . . . . .
H046 H 0.8241 0.9194 0.2431 0.095 Uiso 1 1 calc R . . . .
C047 C -0.2190(4) 0.3737(5) 0.15212(16) 0.0669(15) Uani 1 1 d . . . . .
H047 H -0.2921 0.3394 0.1571 0.080 Uiso 1 1 calc R . . . .
C048 C 0.1719(4) 0.6440(5) 0.38509(14) 0.0605(14) Uani 1 1 d . . . . .
H048 H 0.1909 0.6524 0.4097 0.073 Uiso 1 1 calc R . . . .
C049 C 0.4776(5) 0.9814(5) 0.06683(15) 0.0644(16) Uani 1 1 d . . . . .
C04A C 0.5881(4) 0.9717(5) 0.31318(16) 0.0654(15) Uani 1 1 d . . . . .
H04A H 0.6577 1.0350 0.3131 0.078 Uiso 1 1 calc R . . . .
C04B C 0.3372(6) 1.2377(5) 0.11391(18) 0.0742(18) Uani 1 1 d . . . . .
H04B H 0.3317 1.3000 0.1197 0.089 Uiso 1 1 calc R . . . .
C04C C 0.8165(5) 1.0767(5) 0.18602(17) 0.0745(17) Uani 1 1 d . . . . .
H04C H 0.8514 1.1510 0.1816 0.089 Uiso 1 1 calc R . . . .
C04D C 0.3638(5) 0.6402(5) -0.00028(15) 0.0690(16) Uani 1 1 d . . . . .
H04D H 0.2991 0.5710 -0.0015 0.083 Uiso 1 1 calc R . . . .
C04E C 0.4302(5) 1.2325(5) 0.12826(15) 0.0663(16) Uani 1 1 d . . . . .
H04E H 0.4883 1.2911 0.1438 0.080 Uiso 1 1 calc R . . . .
C04F C 0.5773(5) 0.9021(5) 0.33816(15) 0.0644(15) Uani 1 1 d . . . . .
H04F H 0.6383 0.9191 0.3559 0.077 Uiso 1 1 calc R . . . .
C04G C 0.0439(6) 0.7058(6) 0.05573(16) 0.0778(18) Uani 1 1 d . . . . .
H04G H -0.0215 0.6695 0.0656 0.093 Uiso 1 1 calc R . . . .
C04H C 0.8537(5) 1.0474(6) 0.21597(18) 0.0778(18) Uani 1 1 d . . . . .
H04H H 0.9157 1.1003 0.2320 0.093 Uiso 1 1 calc R . . . .
C04I C 0.8647(5) 0.9947(6) 0.07994(15) 0.0732(17) Uani 1 1 d . . . . .
H04I H 0.9070 0.9591 0.0809 0.088 Uiso 1 1 calc R . . . .
C04J C 0.2535(5) 1.1532(5) 0.09145(18) 0.0747(18) Uani 1 1 d . . . . .
H04J H 0.1905 1.1572 0.0814 0.090 Uiso 1 1 calc R . . . .
C04K C 0.8581(6) 1.1596(5) 0.08215(16) 0.0776(18) Uani 1 1 d . . . . .
H04K H 0.8948 1.2369 0.0847 0.093 Uiso 1 1 calc R . . . .
C04L C 0.2358(6) 0.8121(6) 0.02759(15) 0.0772(18) Uani 1 1 d . . . . .
H04L H 0.3009 0.8482 0.0176 0.093 Uiso 1 1 calc R . . . .
C04M C 0.9175(5) 1.1084(6) 0.08295(17) 0.0803(18) Uani 1 1 d . . . . .
H04M H 0.9958 1.1500 0.0856 0.096 Uiso 1 1 calc R . . . .
C04N C 0.0428(6) 0.6796(6) 0.02121(17) 0.091(2) Uani 1 1 d . . . . .
H04N H -0.0237 0.6251 0.0073 0.109 Uiso 1 1 calc R . . . .
C04O C 0.1374(7) 0.7323(7) 0.00737(17) 0.099(2) Uani 1 1 d . . . . .
H04O H 0.1362 0.7145 -0.0163 0.119 Uiso 1 1 calc R . . . .
O04Q O -0.3488(6) 0.6289(6) 0.0207(2) 0.0700(13) Uani 0.5 1 d . . P A 1
C04V C -0.1671(10) 0.7598(10) 0.0387(3) 0.0700(13) Uani 0.5 1 d . . P A 1
H04P H -0.1513 0.8224 0.0548 0.084 Uiso 0.5 1 calc R . P A 1
H04Q H -0.1011 0.7510 0.0423 0.084 Uiso 0.5 1 calc R . P A 1
C04X C -0.1794(10) 0.7815(10) 0.0099(3) 0.0700(13) Uani 0.5 1 d . . P A 1
H04R H -0.1119 0.8052 -0.0005 0.084 Uiso 0.5 1 calc R . P A 1
H04S H -0.1995 0.8393 0.0090 0.084 Uiso 0.5 1 calc R . P A 1
C04Y C -0.2570(9) 0.6649(10) 0.0478(3) 0.0700(13) Uani 0.5 1 d . . P A 1
H04T H -0.2756 0.6815 0.0698 0.084 Uiso 0.5 1 calc R . P A 1
H04U H -0.2372 0.6074 0.0510 0.084 Uiso 0.5 1 calc R . P A 1
C04Z C -0.2714(9) 0.6769(10) -0.0077(3) 0.0700(13) Uani 0.5 1 d . . P A 1
H04V H -0.2443 0.6278 -0.0143 0.084 Uiso 0.5 1 calc R . P A 1
H04W H -0.3110 0.6881 -0.0287 0.084 Uiso 0.5 1 calc R . P A 1
C6 C 0.6825(6) 0.3459(7) 0.3240(2) 0.0801(10) Uani 0.75 1 d . . P . .
H6A H 0.6773 0.3811 0.3028 0.096 Uiso 0.75 1 calc R . P . .
H6B H 0.7354 0.4033 0.3427 0.096 Uiso 0.75 1 calc R . P . .
C7 C 0.5647(6) 0.2801(7) 0.3352(2) 0.0801(10) Uani 0.75 1 d . . P . .
H7A H 0.5161 0.2149 0.3185 0.096 Uiso 0.75 1 calc R . P . .
H7B H 0.5724 0.2556 0.3584 0.096 Uiso 0.75 1 calc R . P . .
C8 C 0.7204(6) 0.2673(7) 0.3173(2) 0.0801(10) Uani 0.75 1 d . . P . .
H8A H 0.6680 0.2126 0.2979 0.096 Uiso 0.75 1 calc R . P . .
H8B H 0.7184 0.2283 0.3382 0.096 Uiso 0.75 1 calc R . P . .
C9 C 0.5176(6) 0.3467(7) 0.3361(2) 0.0801(10) Uani 0.75 1 d . . P . .
H9A H 0.5121 0.3724 0.3133 0.120 Uiso 0.75 1 calc GR . P . .
H9B H 0.5642 0.4093 0.3535 0.120 Uiso 0.75 1 calc GR . P . .
H9C H 0.4437 0.3051 0.3422 0.120 Uiso 0.75 1 calc GR . P . .
C10 C 0.8374(6) 0.3203(7) 0.3084(2) 0.0801(10) Uani 0.75 1 d . . P . .
H10A H 0.8897 0.3737 0.3281 0.096 Uiso 0.75 1 calc R . P . .
H10B H 0.8396 0.3609 0.2880 0.096 Uiso 0.75 1 calc R . P . .
C11 C 0.8782(6) 0.2388(6) 0.3004(2) 0.0801(10) Uani 0.75 1 d . . P . .
H11A H 0.8273 0.1856 0.2809 0.120 Uiso 0.75 1 calc GR . P . .
H11B H 0.8802 0.2007 0.3209 0.120 Uiso 0.75 1 calc GR . P . .
H11C H 0.9524 0.2790 0.2945 0.120 Uiso 0.75 1 calc GR . P . .
H00I H -0.085(3) 0.031(3) 0.4635(10) 0.034(11) Uiso 1 1 d . . . . .
H00Z H 0.405(3) 0.842(3) 0.2225(10) 0.035(12) Uiso 1 1 d . . . . .
H01Q H -0.018(4) 0.404(4) 0.2520(12) 0.059(14) Uiso 1 1 d . . . . .
H00M H 0.432(4) 0.365(3) 0.4621(10) 0.040(12) Uiso 1 1 d . . . . .
H013 H 0.483(4) 0.799(4) 0.1873(13) 0.058(15) Uiso 1 1 d . . . . .
H049 H 0.475(4) 1.016(4) 0.0469(13) 0.059(15) Uiso 1 1 d . . . . .


_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
Ni01 P004 2.5663(17) . ?
Ni01 P005 2.1946(17) . ?
Ni01 P006 2.1996(14) 2_556 ?
Ni01 C00I 2.056(5) . ?
Ni01 C00L 1.948(4) . ?
Ni02 P008 2.2223(17) . ?
Ni02 P00C 2.6485(17) . ?
Ni02 P00D 2.2006(14) . ?
Ni02 C00Z 2.016(5) . ?
Ni02 C01X 1.942(4) . ?
Ni03 P00A 2.2050(14) . ?
Ni03 P00B 2.6223(14) . ?
Ni03 P00E 2.2191(15) . ?
Ni03 C013 2.020(5) . ?
Ni03 C020 1.950(4) . ?
P004 C00G 1.832(4) . ?
P004 C00I 1.784(4) . ?
P004 C00L 1.657(4) . ?
P004 C00W 1.834(5) . ?
P005 C00H 1.832(5) . ?
P005 C00M 1.737(4) . ?
P005 C016 1.836(5) . ?
P006 Ni01 2.1996(14) 2_556 ?
P006 C00I 1.810(5) . ?
P006 C00O 1.842(5) . ?
P006 C00X 1.832(5) . ?
P007 C00L 1.713(4) . ?
P007 C00M 1.674(5) . ?
P007 C00P 1.826(5) . ?
P007 C00T 1.842(4) . ?
P008 C00R 1.839(5) . ?
P008 C012 1.859(5) . ?
P008 C01Q 1.742(5) . ?
P009 C00Q 1.826(5) . ?
P009 C00S 1.841(5) . ?
P009 C01Q 1.697(5) . ?
P009 C01X 1.714(4) . ?
P00A C00Z 1.805(5) . ?
P00A C019 1.832(5) . ?
P00A C021 1.809(5) . ?
P00B C00J 1.837(5) . ?
P00B C013 1.797(5) . ?
P00B C020 1.679(5) . ?
P00B C02H 1.829(6) . ?
P00C C00K 1.829(5) . ?
P00C C00Z 1.782(5) . ?
P00C C01N 1.827(5) . ?
P00C C01X 1.651(5) . ?
P00D C013 1.798(5) . ?
P00D C01B 1.844(5) . ?
P00D C01L 1.817(5) . ?
P00E C01A 1.830(5) . ?
P00E C03O 1.831(6) . ?
P00E C049 1.734(5) . ?
P00F C020 1.703(4) . ?
P00F C02F 1.823(5) . ?
P00F C02G 1.807(5) . ?
P00F C049 1.681(5) . ?
C00G C011 1.389(6) . ?
C00G C01E 1.386(6) . ?
C00H C010 1.392(6) . ?
C00H C017 1.379(7) . ?
C00I H00I 0.99(4) . ?
C00J C01W 1.389(7) . ?
C00J C02B 1.375(7) . ?
C00K C00N 1.391(7) . ?
C00K C01H 1.379(7) . ?
C00M H00M 0.95(4) . ?
C00N H00N 0.9500 . ?
C00N C01K 1.393(7) . ?
C00O C00U 1.385(7) . ?
C00O C01M 1.398(6) . ?
C00P C00Y 1.376(7) . ?
C00P C03L 1.392(7) . ?
C00Q C018 1.405(7) . ?
C00Q C02J 1.383(6) . ?
C00R C022 1.379(7) . ?
C00R C023 1.390(7) . ?
C00S C01C 1.380(6) . ?
C00S C01O 1.393(6) . ?
C00T C01G 1.376(6) . ?
C00T C025 1.407(7) . ?
C00U H00U 0.9500 . ?
C00U C037 1.397(7) . ?
C00V H00V 0.9500 . ?
C00V C021 1.413(7) . ?
C00V C02Q 1.369(7) . ?
C00W C01P 1.384(6) . ?
C00W C02D 1.388(6) . ?
C00X C01I 1.390(6) . ?
C00X C026 1.400(6) . ?
C00Y H00Y 0.9500 . ?
C00Y C015 1.390(6) . ?
C00Z H00Z 0.94(4) . ?
C010 H010 0.9500 . ?
C010 C030 1.381(6) . ?
C011 H011 0.9500 . ?
C011 C03V 1.388(6) . ?
C012 C02P 1.388(6) . ?
C012 C02U 1.372(6) . ?
C013 H013 0.91(5) . ?
C014 H014 0.9500 . ?
C014 C029 1.360(7) . ?
C014 C02D 1.379(7) . ?
C015 H015 0.9500 . ?
C015 C035 1.373(7) . ?
C016 C02A 1.391(7) . ?
C016 C02K 1.395(7) . ?
C017 H017 0.9500 . ?
C017 C03G 1.397(7) . ?
C018 H018 0.9500 . ?
C018 C02L 1.377(7) . ?
C019 C024 1.400(6) . ?
C019 C02N 1.394(6) . ?
C01A C03W 1.383(8) . ?
C01A C03Y 1.383(7) . ?
C01B C01R 1.386(7) . ?
C01B C01T 1.404(6) . ?
C01C H01C 0.9500 . ?
C01C C01S 1.377(6) . ?
C01D H01D 0.9500 . ?
C01D C01I 1.396(6) . ?
C01D C02C 1.374(6) . ?
C01E H01E 0.9500 . ?
C01E C03S 1.388(6) . ?
C01F H01F 0.9500 . ?
C01F C025 1.389(6) . ?
C01F C028 1.379(7) . ?
C01G H01G 0.9500 . ?
C01G C01J 1.392(6) . ?
C01H H01H 0.9500 . ?
C01H C01U 1.387(7) . ?
C01I H01I 0.9500 . ?
C01J H01J 0.9500 . ?
C01J C028 1.361(7) . ?
C01K H01K 0.9500 . ?
C01K C02R 1.380(7) . ?
C01L C01V 1.390(7) . ?
C01L C02E 1.409(7) . ?
C01M H01M 0.9500 . ?
C01M C032 1.384(7) . ?
C01N C02T 1.393(7) . ?
C01N C03E 1.397(6) . ?
C01O H01O 0.9500 . ?
C01O C033 1.380(7) . ?
C01P H01P 0.9500 . ?
C01P C02V 1.391(7) . ?
C01Q H01Q 1.03(5) . ?
C01R H01R 0.9500 . ?
C01R C03K 1.390(7) . ?
C01S H01S 0.9500 . ?
C01S C034 1.381(6) . ?
C01T H01T 0.9500 . ?
C01T C01Y 1.388(7) . ?
C01U H01U 0.9500 . ?
C01U C02R 1.385(7) . ?
C01V H01V 0.9500 . ?
C01V C03C 1.376(7) . ?
C01W H01W 0.9500 . ?
C01W C03F 1.389(7) . ?
C01Y H01Y 0.9500 . ?
C01Y C031 1.380(7) . ?
C01Z H01Z 0.9500 . ?
C01Z C027 1.381(7) . ?
C01Z C02W 1.367(7) . ?
C021 C02I 1.390(6) . ?
C022 H022 0.9500 . ?
C022 C027 1.371(7) . ?
C023 H023 0.9500 . ?
C023 C02W 1.387(7) . ?
C024 H024 0.9500 . ?
C024 C03N 1.380(7) . ?
C025 H025 0.9500 . ?
C026 H026 0.9500 . ?
C026 C02Y 1.377(6) . ?
C027 H027 0.9500 . ?
C028 H028 0.9500 . ?
C029 H029 0.9500 . ?
C029 C02V 1.372(7) . ?
C02A H02A 0.9500 . ?
C02A C02X 1.398(7) . ?
C02B H02B 0.9500 . ?
C02B C03Z 1.397(7) . ?
C02C H02C 0.9500 . ?
C02C C02Y 1.386(6) . ?
C02D H02D 0.9500 . ?
C02E H02E 0.9500 . ?
C02E C03A 1.365(7) . ?
C02F C02M 1.406(6) . ?
C02F C038 1.396(7) . ?
C02G C03U 1.408(7) . ?
C02G C043 1.394(7) . ?
C02H C02S 1.386(7) . ?
C02H C03Q 1.379(7) . ?
C02I H02I 0.9500 . ?
C02I C02Z 1.377(7) . ?
C02J H02J 0.9500 . ?
C02J C03R 1.383(7) . ?
C02K H02K 0.9500 . ?
C02K C044 1.384(7) . ?
C02L H02L 0.9500 . ?
C02L C048 1.388(7) . ?
C02M H02M 0.9500 . ?
C02M C041 1.374(8) . ?
C02N H02N 0.9500 . ?
C02N C02O 1.381(7) . ?
C02O H02O 0.9500 . ?
C02O C042 1.378(7) . ?
C02P H02P 0.9500 . ?
C02P C047 1.370(7) . ?
C02Q H02Q 0.9500 . ?
C02Q C03D 1.389(7) . ?
C02R H02R 0.9500 . ?
C02S H02S 0.9500 . ?
C02S C046 1.387(8) . ?
C02T H02T 0.9500 . ?
C02T C04A 1.384(7) . ?
C02U H02U 0.9500 . ?
C02U C03P 1.377(7) . ?
C02V H02V 0.9500 . ?
C02W H02W 0.9500 . ?
C02X H02X 0.9500 . ?
C02X C03B 1.377(7) . ?
C02Y H02Y 0.9500 . ?
C02Z H02Z 0.9500 . ?
C02Z C03D 1.376(7) . ?
C030 H030 0.9500 . ?
C030 C03X 1.383(7) . ?
C031 H031 0.9500 . ?
C031 C03K 1.377(7) . ?
C032 H032 0.9500 . ?
C032 C039 1.378(8) . ?
C033 H033 0.9500 . ?
C033 C034 1.367(7) . ?
C034 H034 0.9500 . ?
C035 H035 0.9500 . ?
C035 C040 1.376(8) . ?
C036 H036 0.9500 . ?
C036 C03P 1.376(7) . ?
C036 C047 1.383(7) . ?
C037 H037 0.9500 . ?
C037 C039 1.378(7) . ?
C038 H038 0.9500 . ?
C038 C04D 1.371(8) . ?
C039 H039 0.9500 . ?
C03A H03A 0.9500 . ?
C03A C03T 1.380(8) . ?
C03B H03B 0.9500 . ?
C03B C044 1.367(8) . ?
C03C H03C 0.9500 . ?
C03C C03T 1.377(8) . ?
C03D H03D 0.9500 . ?
C03E H03E 0.9500 . ?
C03E C03J 1.391(7) . ?
C03F H03F 0.9500 . ?
C03F C03H 1.396(7) . ?
C03G H03G 0.9500 . ?
C03G C03X 1.380(7) . ?
C03H H03H 0.9500 . ?
C03H C03Z 1.360(8) . ?
C03I H03I 0.9500 . ?
C03I C03S 1.371(7) . ?
C03I C03V 1.373(7) . ?
C03J H03J 0.9500 . ?
C03J C04F 1.384(7) . ?
C03K H03K 0.9500 . ?
C03L H03L 0.9500 . ?
C03L C040 1.393(7) . ?
C03M H03M 0.9500 . ?
C03M C03O 1.386(7) . ?
C03M C04G 1.383(8) . ?
C03N H03N 0.9500 . ?
C03N C042 1.393(7) . ?
C03O C04L 1.401(8) . ?
C03P H03P 0.9500 . ?
C03Q H03Q 0.9500 . ?
C03Q C04C 1.368(8) . ?
C03R H03R 0.9500 . ?
C03R C048 1.391(8) . ?
C03S H03S 0.9500 . ?
C03T H03T 0.9500 . ?
C03U H03U 0.9500 . ?
C03U C04K 1.382(8) . ?
C03V H03V 0.9500 . ?
C03W H03W 0.9500 . ?
C03W C04E 1.370(7) . ?
C03X H03X 0.9500 . ?
C03Y H03Y 0.9500 . ?
C03Y C04J 1.398(8) . ?
C03Z H03Z 0.9500 . ?
C040 H040 0.9500 . ?
C041 H041 0.9500 . ?
C041 C045 1.374(8) . ?
C042 H042 0.9500 . ?
C043 H043 0.9500 . ?
C043 C04I 1.370(7) . ?
C044 H044 0.9500 . ?
C045 H045 0.9500 . ?
C045 C04D 1.387(7) . ?
C046 H046 0.9500 . ?
C046 C04H 1.369(9) . ?
C047 H047 0.9500 . ?
C048 H048 0.9500 . ?
C049 H049 0.94(5) . ?
C04A H04A 0.9500 . ?
C04A C04F 1.372(7) . ?
C04B H04B 0.9500 . ?
C04B C04E 1.390(8) . ?
C04B C04J 1.372(9) . ?
C04C H04C 0.9500 . ?
C04C C04H 1.374(9) . ?
C04D H04D 0.9500 . ?
C04E H04E 0.9500 . ?
C04F H04F 0.9500 . ?
C04G H04G 0.9500 . ?
C04G C04N 1.390(8) . ?
C04H H04H 0.9500 . ?
C04I H04I 0.9500 . ?
C04I C04M 1.398(9) . ?
C04J H04J 0.9500 . ?
C04K H04K 0.9500 . ?
C04K C04M 1.351(9) . ?
C04L H04L 0.9500 . ?
C04L C04O 1.395(9) . ?
C04M H04M 0.9500 . ?
C04N H04N 0.9500 . ?
C04N C04O 1.366(9) . ?
C04O H04O 0.9500 . ?
O04Q C04Y 1.418(13) . ?
O04Q C04Z 1.588(12) . ?
C04V H04P 0.9900 . ?
C04V H04Q 0.9900 . ?
C04V C04X 1.186(14) . ?
C04V C04Y 1.417(15) . ?
C04X H04R 0.9900 . ?
C04X H04S 0.9900 . ?
C04X C04Z 1.476(16) . ?
C04Y H04T 0.9900 . ?
C04Y H04U 0.9900 . ?
C04Z H04V 0.9900 . ?
C04Z H04W 0.9900 . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C6 C7 1.585(10) . ?
C6 C8 1.488(11) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C7 C9 1.399(11) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C8 C10 1.535(10) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C10 C11 1.567(11) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 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
P005 Ni01 P004 123.45(6) . . ?
P005 Ni01 P006 103.89(6) . 2_556 ?
P006 Ni01 P004 128.42(5) 2_556 . ?
C00I Ni01 P004 43.69(12) . . ?
C00I Ni01 P005 166.96(12) . . ?
C00I Ni01 P006 88.83(13) . 2_556 ?
C00L Ni01 P004 40.22(13) . . ?
C00L Ni01 P005 87.12(14) . . ?
C00L Ni01 P006 168.55(13) . 2_556 ?
C00L Ni01 C00I 80.03(18) . . ?
P008 Ni02 P00C 123.68(5) . . ?
P00D Ni02 P008 104.11(6) . . ?
P00D Ni02 P00C 129.78(6) . . ?
C00Z Ni02 P008 164.07(13) . . ?
C00Z Ni02 P00C 42.25(13) . . ?
C00Z Ni02 P00D 91.64(14) . . ?
C01X Ni02 P008 85.42(14) . . ?
C01X Ni02 P00C 38.42(14) . . ?
C01X Ni02 P00D 164.41(15) . . ?
C01X Ni02 C00Z 79.74(19) . . ?
P00A Ni03 P00B 129.73(5) . . ?
P00A Ni03 P00E 104.93(5) . . ?
P00E Ni03 P00B 122.94(5) . . ?
C013 Ni03 P00A 90.84(14) . . ?
C013 Ni03 P00B 43.18(13) . . ?
C013 Ni03 P00E 163.95(14) . . ?
C020 Ni03 P00A 167.07(15) . . ?
C020 Ni03 P00B 39.77(14) . . ?
C020 Ni03 P00E 83.60(14) . . ?
C020 Ni03 C013 81.39(18) . . ?
C00G P004 Ni01 102.85(16) . . ?
C00G P004 C00W 102.3(2) . . ?
C00I P004 Ni01 52.75(15) . . ?
C00I P004 C00G 102.5(2) . . ?
C00I P004 C00W 120.9(2) . . ?
C00L P004 Ni01 49.40(15) . . ?
C00L P004 C00G 117.8(2) . . ?
C00L P004 C00I 96.9(2) . . ?
C00L P004 C00W 116.6(2) . . ?
C00W P004 Ni01 154.84(16) . . ?
C00H P005 Ni01 114.27(16) . . ?
C00H P005 C016 106.0(2) . . ?
C00M P005 Ni01 110.16(18) . . ?
C00M P005 C00H 105.6(2) . . ?
C00M P005 C016 105.8(2) . . ?
C016 P005 Ni01 114.38(15) . . ?
C00I P006 Ni01 107.20(15) . 2_556 ?
C00I P006 C00O 106.1(2) . . ?
C00I P006 C00X 113.8(2) . . ?
C00O P006 Ni01 122.05(14) . 2_556 ?
C00X P006 Ni01 107.62(15) . 2_556 ?
C00X P006 C00O 100.3(2) . . ?
C00L P007 C00P 115.4(2) . . ?
C00L P007 C00T 111.1(2) . . ?
C00M P007 C00L 106.5(2) . . ?
C00M P007 C00P 111.4(2) . . ?
C00M P007 C00T 110.6(2) . . ?
C00P P007 C00T 102.0(2) . . ?
C00R P008 Ni02 120.24(15) . . ?
C00R P008 C012 101.1(2) . . ?
C012 P008 Ni02 111.96(16) . . ?
C01Q P008 Ni02 108.98(18) . . ?
C01Q P008 C00R 104.1(2) . . ?
C01Q P008 C012 109.9(2) . . ?
C00Q P009 C00S 101.9(2) . . ?
C01Q P009 C00Q 113.0(2) . . ?
C01Q P009 C00S 112.7(2) . . ?
C01Q P009 C01X 105.3(2) . . ?
C01X P009 C00Q 113.9(2) . . ?
C01X P009 C00S 110.3(2) . . ?
C00Z P00A Ni03 113.78(15) . . ?
C00Z P00A C019 101.6(2) . . ?
C00Z P00A C021 106.8(2) . . ?
C019 P00A Ni03 108.98(15) . . ?
C021 P00A Ni03 117.15(16) . . ?
C021 P00A C019 107.3(2) . . ?
C00J P00B Ni03 145.61(18) . . ?
C013 P00B Ni03 50.27(16) . . ?
C013 P00B C00J 119.4(2) . . ?
C013 P00B C02H 100.7(2) . . ?
C020 P00B Ni03 47.99(15) . . ?
C020 P00B C00J 116.1(2) . . ?
C020 P00B C013 96.2(2) . . ?
C020 P00B C02H 118.9(2) . . ?
C02H P00B Ni03 109.13(16) . . ?
C02H P00B C00J 105.1(2) . . ?
C00K P00C Ni02 141.62(17) . . ?
C00Z P00C Ni02 49.52(16) . . ?
C00Z P00C C00K 119.6(2) . . ?
C00Z P00C C01N 103.6(2) . . ?
C01N P00C Ni02 113.65(15) . . ?
C01N P00C C00K 104.7(2) . . ?
C01X P00C Ni02 46.95(15) . . ?
C01X P00C C00K 115.1(2) . . ?
C01X P00C C00Z 95.3(2) . . ?
C01X P00C C01N 118.7(2) . . ?
C013 P00D Ni02 113.16(16) . . ?
C013 P00D C01B 104.4(2) . . ?
C013 P00D C01L 106.7(2) . . ?
C01B P00D Ni02 105.21(16) . . ?
C01L P00D Ni02 118.77(15) . . ?
C01L P00D C01B 107.6(2) . . ?
C01A P00E Ni03 119.49(18) . . ?
C01A P00E C03O 103.0(3) . . ?
C03O P00E Ni03 109.99(17) . . ?
C049 P00E Ni03 108.9(2) . . ?
C049 P00E C01A 105.2(2) . . ?
C049 P00E C03O 109.9(3) . . ?
C020 P00F C02F 111.5(2) . . ?
C020 P00F C02G 114.1(2) . . ?
C02G P00F C02F 101.9(2) . . ?
C049 P00F C020 104.6(2) . . ?
C049 P00F C02F 111.8(3) . . ?
C049 P00F C02G 113.1(3) . . ?
C011 C00G P004 122.4(3) . . ?
C01E C00G P004 119.2(3) . . ?
C01E C00G C011 118.4(4) . . ?
C010 C00H P005 117.7(4) . . ?
C017 C00H P005 123.0(4) . . ?
C017 C00H C010 118.6(4) . . ?
Ni01 C00I H00I 110(2) . . ?
P004 C00I Ni01 83.56(18) . . ?
P004 C00I P006 129.8(3) . . ?
P004 C00I H00I 106(2) . . ?
P006 C00I Ni01 116.8(2) . . ?
P006 C00I H00I 108(2) . . ?
C01W C00J P00B 116.3(4) . . ?
C02B C00J P00B 124.7(4) . . ?
C02B C00J C01W 118.9(5) . . ?
C00N C00K P00C 125.3(4) . . ?
C01H C00K P00C 116.3(4) . . ?
C01H C00K C00N 118.4(4) . . ?
P004 C00L Ni01 90.38(18) . . ?
P004 C00L P007 144.6(3) . . ?
P007 C00L Ni01 121.6(2) . . ?
P005 C00M H00M 121(3) . . ?
P007 C00M P005 113.0(3) . . ?
P007 C00M H00M 120(3) . . ?
C00K C00N H00N 119.5 . . ?
C00K C00N C01K 121.0(5) . . ?
C01K C00N H00N 119.5 . . ?
C00U C00O P006 118.9(4) . . ?
C00U C00O C01M 118.4(5) . . ?
C01M C00O P006 122.7(4) . . ?
C00Y C00P P007 124.4(3) . . ?
C00Y C00P C03L 117.8(4) . . ?
C03L C00P P007 117.8(4) . . ?
C018 C00Q P009 120.6(4) . . ?
C02J C00Q P009 120.8(4) . . ?
C02J C00Q C018 118.6(5) . . ?
C022 C00R P008 117.3(4) . . ?
C022 C00R C023 118.0(4) . . ?
C023 C00R P008 124.6(4) . . ?
C01C C00S P009 116.7(3) . . ?
C01C C00S C01O 118.6(4) . . ?
C01O C00S P009 124.7(4) . . ?
C01G C00T P007 119.3(4) . . ?
C01G C00T C025 118.2(4) . . ?
C025 C00T P007 122.4(4) . . ?
C00O C00U H00U 119.5 . . ?
C00O C00U C037 121.0(5) . . ?
C037 C00U H00U 119.5 . . ?
C021 C00V H00V 119.7 . . ?
C02Q C00V H00V 119.7 . . ?
C02Q C00V C021 120.6(5) . . ?
C01P C00W P004 123.2(3) . . ?
C01P C00W C02D 119.0(4) . . ?
C02D C00W P004 117.7(4) . . ?
C01I C00X P006 125.3(3) . . ?
C01I C00X C026 118.3(4) . . ?
C026 C00X P006 116.3(3) . . ?
C00P C00Y H00Y 119.2 . . ?
C00P C00Y C015 121.6(5) . . ?
C015 C00Y H00Y 119.2 . . ?
Ni02 C00Z H00Z 112(2) . . ?
P00A C00Z Ni02 117.0(3) . . ?
P00A C00Z H00Z 106(2) . . ?
P00C C00Z Ni02 88.23(19) . . ?
P00C C00Z P00A 129.7(3) . . ?
P00C C00Z H00Z 102(2) . . ?
C00H C010 H010 119.8 . . ?
C030 C010 C00H 120.5(5) . . ?
C030 C010 H010 119.8 . . ?
C00G C011 H011 119.3 . . ?
C03V C011 C00G 121.3(5) . . ?
C03V C011 H011 119.3 . . ?
C02P C012 P008 120.3(4) . . ?
C02U C012 P008 122.0(4) . . ?
C02U C012 C02P 117.7(5) . . ?
Ni03 C013 H013 115(3) . . ?
P00B C013 Ni03 86.6(2) . . ?
P00B C013 P00D 129.4(3) . . ?
P00B C013 H013 108(3) . . ?
P00D C013 Ni03 116.6(3) . . ?
P00D C013 H013 102(3) . . ?
C029 C014 H014 119.4 . . ?
C029 C014 C02D 121.2(5) . . ?
C02D C014 H014 119.4 . . ?
C00Y C015 H015 119.9 . . ?
C035 C015 C00Y 120.2(5) . . ?
C035 C015 H015 119.9 . . ?
C02A C016 P005 126.7(4) . . ?
C02A C016 C02K 117.8(4) . . ?
C02K C016 P005 115.6(4) . . ?
C00H C017 H017 119.6 . . ?
C00H C017 C03G 120.8(5) . . ?
C03G C017 H017 119.6 . . ?
C00Q C018 H018 119.4 . . ?
C02L C018 C00Q 121.2(5) . . ?
C02L C018 H018 119.4 . . ?
C024 C019 P00A 116.0(4) . . ?
C02N C019 P00A 126.4(4) . . ?
C02N C019 C024 117.3(5) . . ?
C03W C01A P00E 117.3(4) . . ?
C03W C01A C03Y 118.6(5) . . ?
C03Y C01A P00E 124.1(5) . . ?
C01R C01B P00D 116.4(4) . . ?
C01R C01B C01T 118.6(4) . . ?
C01T C01B P00D 124.9(4) . . ?
C00S C01C H01C 119.6 . . ?
C01S C01C C00S 120.9(4) . . ?
C01S C01C H01C 119.6 . . ?
C01I C01D H01D 119.9 . . ?
C02C C01D H01D 119.9 . . ?
C02C C01D C01I 120.2(4) . . ?
C00G C01E H01E 120.1 . . ?
C00G C01E C03S 119.8(5) . . ?
C03S C01E H01E 120.1 . . ?
C025 C01F H01F 119.7 . . ?
C028 C01F H01F 119.7 . . ?
C028 C01F C025 120.6(5) . . ?
C00T C01G H01G 119.5 . . ?
C00T C01G C01J 121.0(5) . . ?
C01J C01G H01G 119.5 . . ?
C00K C01H H01H 119.4 . . ?
C00K C01H C01U 121.2(5) . . ?
C01U C01H H01H 119.4 . . ?
C00X C01I C01D 120.6(4) . . ?
C00X C01I H01I 119.7 . . ?
C01D C01I H01I 119.7 . . ?
C01G C01J H01J 119.7 . . ?
C028 C01J C01G 120.6(5) . . ?
C028 C01J H01J 119.7 . . ?
C00N C01K H01K 120.2 . . ?
C02R C01K C00N 119.6(5) . . ?
C02R C01K H01K 120.2 . . ?
C01V C01L P00D 123.7(4) . . ?
C01V C01L C02E 117.1(5) . . ?
C02E C01L P00D 118.8(4) . . ?
C00O C01M H01M 119.7 . . ?
C032 C01M C00O 120.5(5) . . ?
C032 C01M H01M 119.7 . . ?
C02T C01N P00C 121.9(4) . . ?
C02T C01N C03E 118.1(5) . . ?
C03E C01N P00C 120.0(4) . . ?
C00S C01O H01O 119.9 . . ?
C033 C01O C00S 120.2(5) . . ?
C033 C01O H01O 119.9 . . ?
C00W C01P H01P 119.7 . . ?
C00W C01P C02V 120.6(5) . . ?
C02V C01P H01P 119.7 . . ?
P008 C01Q H01Q 119(3) . . ?
P009 C01Q P008 111.1(3) . . ?
P009 C01Q H01Q 124(3) . . ?
C01B C01R H01R 119.5 . . ?
C01B C01R C03K 120.9(5) . . ?
C03K C01R H01R 119.5 . . ?
C01C C01S H01S 120.0 . . ?
C01C C01S C034 119.9(5) . . ?
C034 C01S H01S 120.0 . . ?
C01B C01T H01T 120.1 . . ?
C01Y C01T C01B 119.8(5) . . ?
C01Y C01T H01T 120.1 . . ?
C01H C01U H01U 120.1 . . ?
C02R C01U C01H 119.8(5) . . ?
C02R C01U H01U 120.1 . . ?
C01L C01V H01V 119.3 . . ?
C03C C01V C01L 121.3(5) . . ?
C03C C01V H01V 119.3 . . ?
C00J C01W H01W 119.5 . . ?
C03F C01W C00J 121.0(5) . . ?
C03F C01W H01W 119.5 . . ?
P009 C01X Ni02 123.6(3) . . ?
P00C C01X Ni02 94.6(2) . . ?
P00C C01X P009 139.8(3) . . ?
C01T C01Y H01Y 119.7 . . ?
C031 C01Y C01T 120.6(5) . . ?
C031 C01Y H01Y 119.7 . . ?
C027 C01Z H01Z 119.9 . . ?
C02W C01Z H01Z 119.9 . . ?
C02W C01Z C027 120.2(5) . . ?
P00B C020 Ni03 92.2(2) . . ?
P00B C020 P00F 137.1(3) . . ?
P00F C020 Ni03 124.4(3) . . ?
C00V C021 P00A 117.7(4) . . ?
C02I C021 P00A 124.3(4) . . ?
C02I C021 C00V 117.2(5) . . ?
C00R C022 H022 119.2 . . ?
C027 C022 C00R 121.7(5) . . ?
C027 C022 H022 119.2 . . ?
C00R C023 H023 119.7 . . ?
C02W C023 C00R 120.7(5) . . ?
C02W C023 H023 119.7 . . ?
C019 C024 H024 118.9 . . ?
C03N C024 C019 122.1(5) . . ?
C03N C024 H024 118.9 . . ?
C00T C025 H025 120.0 . . ?
C01F C025 C00T 120.0(5) . . ?
C01F C025 H025 120.0 . . ?
C00X C026 H026 119.7 . . ?
C02Y C026 C00X 120.7(4) . . ?
C02Y C026 H026 119.7 . . ?
C01Z C027 H027 120.2 . . ?
C022 C027 C01Z 119.5(5) . . ?
C022 C027 H027 120.2 . . ?
C01F C028 H028 120.2 . . ?
C01J C028 C01F 119.6(5) . . ?
C01J C028 H028 120.2 . . ?
C014 C029 H029 119.9 . . ?
C014 C029 C02V 120.2(5) . . ?
C02V C029 H029 119.9 . . ?
C016 C02A H02A 119.7 . . ?
C016 C02A C02X 120.5(5) . . ?
C02X C02A H02A 119.7 . . ?
C00J C02B H02B 119.9 . . ?
C00J C02B C03Z 120.3(5) . . ?
C03Z C02B H02B 119.9 . . ?
C01D C02C H02C 120.2 . . ?
C01D C02C C02Y 119.7(4) . . ?
C02Y C02C H02C 120.2 . . ?
C00W C02D H02D 120.3 . . ?
C014 C02D C00W 119.5(5) . . ?
C014 C02D H02D 120.3 . . ?
C01L C02E H02E 119.2 . . ?
C03A C02E C01L 121.6(5) . . ?
C03A C02E H02E 119.2 . . ?
C02M C02F P00F 123.5(4) . . ?
C038 C02F P00F 118.9(4) . . ?
C038 C02F C02M 117.2(5) . . ?
C03U C02G P00F 121.5(4) . . ?
C043 C02G P00F 121.0(4) . . ?
C043 C02G C03U 117.4(5) . . ?
C02S C02H P00B 120.8(4) . . ?
C03Q C02H P00B 120.4(4) . . ?
C03Q C02H C02S 118.2(5) . . ?
C021 C02I H02I 119.3 . . ?
C02Z C02I C021 121.4(5) . . ?
C02Z C02I H02I 119.3 . . ?
C00Q C02J H02J 119.9 . . ?
C00Q C02J C03R 120.3(5) . . ?
C03R C02J H02J 119.9 . . ?
C016 C02K H02K 119.3 . . ?
C044 C02K C016 121.4(5) . . ?
C044 C02K H02K 119.3 . . ?
C018 C02L H02L 120.2 . . ?
C018 C02L C048 119.7(5) . . ?
C048 C02L H02L 120.2 . . ?
C02F C02M H02M 119.5 . . ?
C041 C02M C02F 121.1(5) . . ?
C041 C02M H02M 119.5 . . ?
C019 C02N H02N 119.6 . . ?
C02O C02N C019 120.8(5) . . ?
C02O C02N H02N 119.6 . . ?
C02N C02O H02O 119.5 . . ?
C042 C02O C02N 121.1(5) . . ?
C042 C02O H02O 119.5 . . ?
C012 C02P H02P 119.4 . . ?
C047 C02P C012 121.3(5) . . ?
C047 C02P H02P 119.4 . . ?
C00V C02Q H02Q 119.4 . . ?
C00V C02Q C03D 121.3(5) . . ?
C03D C02Q H02Q 119.4 . . ?
C01K C02R C01U 120.0(5) . . ?
C01K C02R H02R 120.0 . . ?
C01U C02R H02R 120.0 . . ?
C02H C02S H02S 120.2 . . ?
C02H C02S C046 119.7(6) . . ?
C046 C02S H02S 120.2 . . ?
C01N C02T H02T 119.7 . . ?
C04A C02T C01N 120.6(5) . . ?
C04A C02T H02T 119.7 . . ?
C012 C02U H02U 119.2 . . ?
C012 C02U C03P 121.5(5) . . ?
C03P C02U H02U 119.2 . . ?
C01P C02V H02V 120.3 . . ?
C029 C02V C01P 119.4(5) . . ?
C029 C02V H02V 120.3 . . ?
C01Z C02W C023 119.8(5) . . ?
C01Z C02W H02W 120.1 . . ?
C023 C02W H02W 120.1 . . ?
C02A C02X H02X 120.0 . . ?
C03B C02X C02A 120.1(5) . . ?
C03B C02X H02X 120.0 . . ?
C026 C02Y C02C 120.4(5) . . ?
C026 C02Y H02Y 119.8 . . ?
C02C C02Y H02Y 119.8 . . ?
C02I C02Z H02Z 119.5 . . ?
C03D C02Z C02I 121.0(5) . . ?
C03D C02Z H02Z 119.5 . . ?
C010 C030 H030 119.5 . . ?
C010 C030 C03X 120.9(5) . . ?
C03X C030 H030 119.5 . . ?
C01Y C031 H031 120.0 . . ?
C03K C031 C01Y 120.0(5) . . ?
C03K C031 H031 120.0 . . ?
C01M C032 H032 119.9 . . ?
C039 C032 C01M 120.3(5) . . ?
C039 C032 H032 119.9 . . ?
C01O C033 H033 119.8 . . ?
C034 C033 C01O 120.5(5) . . ?
C034 C033 H033 119.8 . . ?
C01S C034 H034 120.1 . . ?
C033 C034 C01S 119.8(5) . . ?
C033 C034 H034 120.1 . . ?
C015 C035 H035 120.3 . . ?
C015 C035 C040 119.3(5) . . ?
C040 C035 H035 120.3 . . ?
C03P C036 H036 120.6 . . ?
C03P C036 C047 118.9(5) . . ?
C047 C036 H036 120.6 . . ?
C00U C037 H037 120.2 . . ?
C039 C037 C00U 119.6(5) . . ?
C039 C037 H037 120.2 . . ?
C02F C038 H038 119.1 . . ?
C04D C038 C02F 121.8(5) . . ?
C04D C038 H038 119.1 . . ?
C032 C039 H039 119.9 . . ?
C037 C039 C032 120.2(5) . . ?
C037 C039 H039 119.9 . . ?
C02E C03A H03A 120.1 . . ?
C02E C03A C03T 119.9(5) . . ?
C03T C03A H03A 120.1 . . ?
C02X C03B H03B 119.9 . . ?
C044 C03B C02X 120.1(5) . . ?
C044 C03B H03B 119.9 . . ?
C01V C03C H03C 119.9 . . ?
C01V C03C C03T 120.2(6) . . ?
C03T C03C H03C 119.9 . . ?
C02Q C03D H03D 120.8 . . ?
C02Z C03D C02Q 118.4(5) . . ?
C02Z C03D H03D 120.8 . . ?
C01N C03E H03E 119.4 . . ?
C03J C03E C01N 121.1(5) . . ?
C03J C03E H03E 119.4 . . ?
C01W C03F H03F 120.5 . . ?
C01W C03F C03H 119.0(6) . . ?
C03H C03F H03F 120.5 . . ?
C017 C03G H03G 119.9 . . ?
C03X C03G C017 120.2(5) . . ?
C03X C03G H03G 119.9 . . ?
C03F C03H H03H 119.9 . . ?
C03Z C03H C03F 120.1(5) . . ?
C03Z C03H H03H 119.9 . . ?
C03S C03I H03I 120.1 . . ?
C03S C03I C03V 119.8(5) . . ?
C03V C03I H03I 120.1 . . ?
C03E C03J H03J 120.3 . . ?
C04F C03J C03E 119.4(5) . . ?
C04F C03J H03J 120.3 . . ?
C01R C03K H03K 120.0 . . ?
C031 C03K C01R 119.9(5) . . ?
C031 C03K H03K 120.0 . . ?
C00P C03L H03L 119.6 . . ?
C00P C03L C040 120.7(5) . . ?
C040 C03L H03L 119.6 . . ?
C03O C03M H03M 118.7 . . ?
C04G C03M H03M 118.7 . . ?
C04G C03M C03O 122.7(6) . . ?
C024 C03N H03N 120.3 . . ?
C024 C03N C042 119.3(5) . . ?
C042 C03N H03N 120.3 . . ?
C03M C03O P00E 121.6(4) . . ?
C03M C03O C04L 117.1(6) . . ?
C04L C03O P00E 121.2(4) . . ?
C02U C03P H03P 119.9 . . ?
C036 C03P C02U 120.3(5) . . ?
C036 C03P H03P 119.9 . . ?
C02H C03Q H03Q 119.3 . . ?
C04C C03Q C02H 121.5(6) . . ?
C04C C03Q H03Q 119.3 . . ?
C02J C03R H03R 119.6 . . ?
C02J C03R C048 120.8(5) . . ?
C048 C03R H03R 119.6 . . ?
C01E C03S H03S 119.4 . . ?
C03I C03S C01E 121.1(5) . . ?
C03I C03S H03S 119.4 . . ?
C03A C03T H03T 120.0 . . ?
C03C C03T C03A 120.0(6) . . ?
C03C C03T H03T 120.0 . . ?
C02G C03U H03U 119.5 . . ?
C04K C03U C02G 121.1(6) . . ?
C04K C03U H03U 119.5 . . ?
C011 C03V H03V 120.2 . . ?
C03I C03V C011 119.5(5) . . ?
C03I C03V H03V 120.2 . . ?
C01A C03W H03W 119.2 . . ?
C04E C03W C01A 121.5(5) . . ?
C04E C03W H03W 119.2 . . ?
C030 C03X H03X 120.5 . . ?
C03G C03X C030 119.0(5) . . ?
C03G C03X H03X 120.5 . . ?
C01A C03Y H03Y 119.7 . . ?
C01A C03Y C04J 120.5(6) . . ?
C04J C03Y H03Y 119.7 . . ?
C02B C03Z H03Z 119.7 . . ?
C03H C03Z C02B 120.5(5) . . ?
C03H C03Z H03Z 119.7 . . ?
C035 C040 C03L 120.4(5) . . ?
C035 C040 H040 119.8 . . ?
C03L C040 H040 119.8 . . ?
C02M C041 H041 119.9 . . ?
C045 C041 C02M 120.3(5) . . ?
C045 C041 H041 119.9 . . ?
C02O C042 C03N 119.3(5) . . ?
C02O C042 H042 120.3 . . ?
C03N C042 H042 120.3 . . ?
C02G C043 H043 119.3 . . ?
C04I C043 C02G 121.3(5) . . ?
C04I C043 H043 119.4 . . ?
C02K C044 H044 120.0 . . ?
C03B C044 C02K 120.1(5) . . ?
C03B C044 H044 120.0 . . ?
C041 C045 H045 120.0 . . ?
C041 C045 C04D 120.0(6) . . ?
C04D C045 H045 120.0 . . ?
C02S C046 H046 119.3 . . ?
C04H C046 C02S 121.4(6) . . ?
C04H C046 H046 119.3 . . ?
C02P C047 C036 120.3(5) . . ?
C02P C047 H047 119.9 . . ?
C036 C047 H047 119.9 . . ?
C02L C048 C03R 119.4(5) . . ?
C02L C048 H048 120.3 . . ?
C03R C048 H048 120.3 . . ?
P00E C049 H049 119(3) . . ?
P00F C049 P00E 111.5(3) . . ?
P00F C049 H049 123(3) . . ?
C02T C04A H04A 119.6 . . ?
C04F C04A C02T 120.7(5) . . ?
C04F C04A H04A 119.6 . . ?
C04E C04B H04B 119.9 . . ?
C04J C04B H04B 119.9 . . ?
C04J C04B C04E 120.2(6) . . ?
C03Q C04C H04C 119.7 . . ?
C03Q C04C C04H 120.5(6) . . ?
C04H C04C H04C 119.7 . . ?
C038 C04D C045 119.7(6) . . ?
C038 C04D H04D 120.2 . . ?
C045 C04D H04D 120.2 . . ?
C03W C04E C04B 119.5(6) . . ?
C03W C04E H04E 120.3 . . ?
C04B C04E H04E 120.3 . . ?
C03J C04F H04F 120.0 . . ?
C04A C04F C03J 120.0(5) . . ?
C04A C04F H04F 120.0 . . ?
C03M C04G H04G 120.5 . . ?
C03M C04G C04N 119.0(6) . . ?
C04N C04G H04G 120.5 . . ?
C046 C04H C04C 118.6(6) . . ?
C046 C04H H04H 120.7 . . ?
C04C C04H H04H 120.7 . . ?
C043 C04I H04I 120.2 . . ?
C043 C04I C04M 119.6(6) . . ?
C04M C04I H04I 120.2 . . ?
C03Y C04J H04J 120.2 . . ?
C04B C04J C03Y 119.6(6) . . ?
C04B C04J H04J 120.2 . . ?
C03U C04K H04K 120.0 . . ?
C04M C04K C03U 120.0(6) . . ?
C04M C04K H04K 120.0 . . ?
C03O C04L H04L 119.7 . . ?
C04O C04L C03O 120.6(6) . . ?
C04O C04L H04L 119.7 . . ?
C04I C04M H04M 119.7 . . ?
C04K C04M C04I 120.6(6) . . ?
C04K C04M H04M 119.7 . . ?
C04G C04N H04N 120.1 . . ?
C04O C04N C04G 119.9(7) . . ?
C04O C04N H04N 120.1 . . ?
C04L C04O H04O 119.6 . . ?
C04N C04O C04L 120.7(6) . . ?
C04N C04O H04O 119.6 . . ?
C04Y O04Q C04Z 92.3(7) . . ?
H04P C04V H04Q 107.4 . . ?
C04X C04V H04P 108.3 . . ?
C04X C04V H04Q 108.3 . . ?
C04X C04V C04Y 116.1(13) . . ?
C04Y C04V H04P 108.3 . . ?
C04Y C04V H04Q 108.3 . . ?
C04V C04X H04R 111.4 . . ?
C04V C04X H04S 111.4 . . ?
C04V C04X C04Z 102.1(11) . . ?
H04R C04X H04S 109.2 . . ?
C04Z C04X H04R 111.4 . . ?
C04Z C04X H04S 111.4 . . ?
O04Q C04Y H04T 110.1 . . ?
O04Q C04Y H04U 110.1 . . ?
C04V C04Y O04Q 108.2(9) . . ?
C04V C04Y H04T 110.1 . . ?
C04V C04Y H04U 110.1 . . ?
H04T C04Y H04U 108.4 . . ?
O04Q C04Z H04V 111.1 . . ?
O04Q C04Z H04W 111.1 . . ?
C04X C04Z O04Q 103.5(9) . . ?
C04X C04Z H04V 111.1 . . ?
C04X C04Z H04W 111.1 . . ?
H04V C04Z H04W 109.0 . . ?
H6A C6 H6B 108.5 . . ?
C7 C6 H6A 110.2 . . ?
C7 C6 H6B 110.2 . . ?
C8 C6 H6A 110.2 . . ?
C8 C6 H6B 110.2 . . ?
C8 C6 C7 107.6(6) . . ?
C6 C7 H7A 109.8 . . ?
C6 C7 H7B 109.8 . . ?
H7A C7 H7B 108.2 . . ?
C9 C7 C6 109.6(7) . . ?
C9 C7 H7A 109.8 . . ?
C9 C7 H7B 109.8 . . ?
C6 C8 H8A 108.8 . . ?
C6 C8 H8B 108.8 . . ?
C6 C8 C10 113.9(7) . . ?
H8A C8 H8B 107.7 . . ?
C10 C8 H8A 108.8 . . ?
C10 C8 H8B 108.8 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10A 108.6 . . ?
C8 C10 H10B 108.6 . . ?
C8 C10 C11 114.8(6) . . ?
H10A C10 H10B 107.5 . . ?
C11 C10 H10A 108.6 . . ?
C11 C10 H10B 108.6 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ni01 P004 C00G C011 -110.4(4) . . . . ?
Ni01 P004 C00G C01E 69.0(4) . . . . ?
Ni01 P004 C00I P006 -119.7(4) . . . . ?
Ni01 P004 C00L P007 -156.1(6) . . . . ?
Ni01 P004 C00W C01P -179.9(3) . . . . ?
Ni01 P004 C00W C02D -3.2(6) . . . . ?
Ni01 P005 C00H C010 21.2(4) . . . . ?
Ni01 P005 C00H C017 -168.6(3) . . . . ?
Ni01 P005 C00M P007 -7.9(3) . . . . ?
Ni01 P005 C016 C02A 105.5(4) . . . . ?
Ni01 P005 C016 C02K -73.3(4) . . . . ?
Ni01 P006 C00I Ni01 82.4(2) 2_556 . . . ?
Ni01 P006 C00I P004 -172.7(3) 2_556 . . . ?
Ni01 P006 C00O C00U 74.1(4) 2_556 . . . ?
Ni01 P006 C00O C01M -104.9(3) 2_556 . . . ?
Ni01 P006 C00X C01I -141.3(4) 2_556 . . . ?
Ni01 P006 C00X C026 40.6(4) 2_556 . . . ?
Ni02 P008 C00R C022 65.5(4) . . . . ?
Ni02 P008 C00R C023 -112.7(4) . . . . ?
Ni02 P008 C012 C02P -132.3(4) . . . . ?
Ni02 P008 C012 C02U 47.3(4) . . . . ?
Ni02 P008 C01Q P009 25.7(3) . . . . ?
Ni02 P00C C00K C00N -166.5(3) . . . . ?
Ni02 P00C C00K C01H 15.2(5) . . . . ?
Ni02 P00C C00Z P00A 124.4(5) . . . . ?
Ni02 P00C C01N C02T 107.6(4) . . . . ?
Ni02 P00C C01N C03E -69.1(4) . . . . ?
Ni02 P00C C01X P009 163.0(6) . . . . ?
Ni02 P00D C013 Ni03 -68.9(3) . . . . ?
Ni02 P00D C013 P00B -177.8(3) . . . . ?
Ni02 P00D C01B C01R -26.6(4) . . . . ?
Ni02 P00D C01B C01T 156.7(4) . . . . ?
Ni02 P00D C01L C01V -94.5(4) . . . . ?
Ni02 P00D C01L C02E 77.9(4) . . . . ?
Ni03 P00A C00Z Ni02 -66.6(3) . . . . ?
Ni03 P00A C00Z P00C -178.9(3) . . . . ?
Ni03 P00A C019 C024 -32.3(4) . . . . ?
Ni03 P00A C019 C02N 155.2(4) . . . . ?
Ni03 P00A C021 C00V 76.9(4) . . . . ?
Ni03 P00A C021 C02I -92.6(4) . . . . ?
Ni03 P00B C00J C01W 14.1(5) . . . . ?
Ni03 P00B C00J C02B -163.5(3) . . . . ?
Ni03 P00B C013 P00D 122.0(5) . . . . ?
Ni03 P00B C020 P00F 150.7(6) . . . . ?
Ni03 P00B C02H C02S 115.5(4) . . . . ?
Ni03 P00B C02H C03Q -56.0(4) . . . . ?
Ni03 P00E C01A C03W 55.2(4) . . . . ?
Ni03 P00E C01A C03Y -125.3(4) . . . . ?
Ni03 P00E C03O C03M 55.6(5) . . . . ?
Ni03 P00E C03O C04L -120.8(4) . . . . ?
Ni03 P00E C049 P00F 27.5(4) . . . . ?
P004 C00G C011 C03V 179.7(4) . . . . ?
P004 C00G C01E C03S -179.8(4) . . . . ?
P004 C00W C01P C02V 177.1(4) . . . . ?
P004 C00W C02D C014 -178.0(4) . . . . ?
P005 C00H C010 C030 172.0(4) . . . . ?
P005 C00H C017 C03G -172.4(4) . . . . ?
P005 C016 C02A C02X -179.3(3) . . . . ?
P005 C016 C02K C044 178.9(4) . . . . ?
P006 C00O C00U C037 -179.2(3) . . . . ?
P006 C00O C01M C032 179.3(3) . . . . ?
P006 C00X C01I C01D -175.3(4) . . . . ?
P006 C00X C026 C02Y 174.7(4) . . . . ?
P007 C00P C00Y C015 179.9(3) . . . . ?
P007 C00P C03L C040 179.9(4) . . . . ?
P007 C00T C01G C01J 178.2(3) . . . . ?
P007 C00T C025 C01F -177.1(3) . . . . ?
P008 C00R C022 C027 -177.1(4) . . . . ?
P008 C00R C023 C02W 178.2(4) . . . . ?
P008 C012 C02P C047 -177.6(4) . . . . ?
P008 C012 C02U C03P 178.4(4) . . . . ?
P009 C00Q C018 C02L -178.7(4) . . . . ?
P009 C00Q C02J C03R 177.3(4) . . . . ?
P009 C00S C01C C01S -179.1(4) . . . . ?
P009 C00S C01O C033 -179.9(4) . . . . ?
P00A C019 C024 C03N -175.2(4) . . . . ?
P00A C019 C02N C02O 175.4(4) . . . . ?
P00A C021 C02I C02Z 172.1(4) . . . . ?
P00B C00J C01W C03F -174.4(4) . . . . ?
P00B C00J C02B C03Z 174.4(4) . . . . ?
P00B C02H C02S C046 -174.3(4) . . . . ?
P00B C02H C03Q C04C 172.9(4) . . . . ?
P00C C00K C00N C01K -177.5(3) . . . . ?
P00C C00K C01H C01U 178.5(3) . . . . ?
P00C C01N C02T C04A -176.7(4) . . . . ?
P00C C01N C03E C03J 177.9(4) . . . . ?
P00D C01B C01R C03K -179.8(4) . . . . ?
P00D C01B C01T C01Y -178.9(4) . . . . ?
P00D C01L C01V C03C 174.0(4) . . . . ?
P00D C01L C02E C03A -173.9(4) . . . . ?
P00E C01A C03W C04E -177.6(4) . . . . ?
P00E C01A C03Y C04J 178.5(4) . . . . ?
P00E C03O C04L C04O 175.5(5) . . . . ?
P00F C02F C02M C041 -173.1(4) . . . . ?
P00F C02F C038 C04D 173.6(4) . . . . ?
P00F C02G C03U C04K 175.7(4) . . . . ?
P00F C02G C043 C04I -176.0(4) . . . . ?
C00G P004 C00I Ni01 -96.78(19) . . . . ?
C00G P004 C00I P006 143.5(3) . . . . ?
C00G P004 C00L Ni01 83.0(2) . . . . ?
C00G P004 C00L P007 -73.1(5) . . . . ?
C00G P004 C00W C01P 0.0(4) . . . . ?
C00G P004 C00W C02D 176.7(3) . . . . ?
C00G C011 C03V C03I 0.4(8) . . . . ?
C00G C01E C03S C03I -0.1(8) . . . . ?
C00H P005 C00M P007 116.0(3) . . . . ?
C00H P005 C016 C02A -21.3(4) . . . . ?
C00H P005 C016 C02K 159.9(4) . . . . ?
C00H C010 C030 C03X 0.6(7) . . . . ?
C00H C017 C03G C03X 1.3(8) . . . . ?
C00I P004 C00G C011 -56.2(4) . . . . ?
C00I P004 C00G C01E 123.2(4) . . . . ?
C00I P004 C00L Ni01 -25.0(2) . . . . ?
C00I P004 C00L P007 178.9(5) . . . . ?
C00I P004 C00W C01P 112.8(4) . . . . ?
C00I P004 C00W C02D -70.5(4) . . . . ?
C00I P006 C00O C00U -48.9(4) . . . . ?
C00I P006 C00O C01M 132.1(4) . . . . ?
C00I P006 C00X C01I -22.7(5) . . . . ?
C00I P006 C00X C026 159.2(4) . . . . ?
C00J P00B C013 Ni03 -139.7(2) . . . . ?
C00J P00B C013 P00D -17.7(5) . . . . ?
C00J P00B C020 Ni03 142.66(19) . . . . ?
C00J P00B C020 P00F -66.6(5) . . . . ?
C00J P00B C02H C02S -60.7(4) . . . . ?
C00J P00B C02H C03Q 127.9(4) . . . . ?
C00J C01W C03F C03H -0.8(7) . . . . ?
C00J C02B C03Z C03H 0.3(8) . . . . ?
C00K P00C C00Z Ni02 -134.5(2) . . . . ?
C00K P00C C00Z P00A -10.0(5) . . . . ?
C00K P00C C01N C02T -70.0(4) . . . . ?
C00K P00C C01N C03E 113.4(4) . . . . ?
C00K P00C C01X Ni02 138.3(2) . . . . ?
C00K P00C C01X P009 -58.7(5) . . . . ?
C00K C00N C01K C02R -0.7(7) . . . . ?
C00K C01H C01U C02R -1.0(7) . . . . ?
C00L P004 C00G C011 -161.0(4) . . . . ?
C00L P004 C00G C01E 18.4(5) . . . . ?
C00L P004 C00I Ni01 23.8(2) . . . . ?
C00L P004 C00I P006 -95.9(3) . . . . ?
C00L P004 C00W C01P -130.1(4) . . . . ?
C00L P004 C00W C02D 46.6(4) . . . . ?
C00L P007 C00M P005 12.5(3) . . . . ?
C00L P007 C00P C00Y -36.8(5) . . . . ?
C00L P007 C00P C03L 142.0(4) . . . . ?
C00L P007 C00T C01G -110.4(4) . . . . ?
C00L P007 C00T C025 67.3(4) . . . . ?
C00M P005 C00H C010 -100.0(4) . . . . ?
C00M P005 C00H C017 70.2(4) . . . . ?
C00M P005 C016 C02A -133.1(4) . . . . ?
C00M P005 C016 C02K 48.1(4) . . . . ?
C00M P007 C00L Ni01 -13.7(3) . . . . ?
C00M P007 C00L P004 137.9(5) . . . . ?
C00M P007 C00P C00Y -158.3(4) . . . . ?
C00M P007 C00P C03L 20.5(4) . . . . ?
C00M P007 C00T C01G 7.6(4) . . . . ?
C00M P007 C00T C025 -174.7(3) . . . . ?
C00N C00K C01H C01U 0.0(7) . . . . ?
C00N C01K C02R C01U -0.2(7) . . . . ?
C00O P006 C00I Ni01 -145.7(2) . . . . ?
C00O P006 C00I P004 -40.8(4) . . . . ?
C00O P006 C00X C01I 90.2(4) . . . . ?
C00O P006 C00X C026 -88.0(4) . . . . ?
C00O C00U C037 C039 0.2(7) . . . . ?
C00O C01M C032 C039 -0.4(7) . . . . ?
C00P P007 C00L Ni01 -137.8(2) . . . . ?
C00P P007 C00L P004 13.8(6) . . . . ?
C00P P007 C00M P005 139.0(2) . . . . ?
C00P P007 C00T C01G 126.1(4) . . . . ?
C00P P007 C00T C025 -56.1(4) . . . . ?
C00P C00Y C015 C035 0.1(7) . . . . ?
C00P C03L C040 C035 0.2(9) . . . . ?
C00Q P009 C00S C01C 159.2(4) . . . . ?
C00Q P009 C00S C01O -21.3(5) . . . . ?
C00Q P009 C01Q P008 -144.5(2) . . . . ?
C00Q P009 C01X Ni02 129.3(3) . . . . ?
C00Q P009 C01X P00C -30.3(5) . . . . ?
C00Q C018 C02L C048 0.6(7) . . . . ?
C00Q C02J C03R C048 2.2(7) . . . . ?
C00R P008 C012 C02P 98.5(4) . . . . ?
C00R P008 C012 C02U -81.9(4) . . . . ?
C00R P008 C01Q P009 155.2(3) . . . . ?
C00R C022 C027 C01Z -1.3(7) . . . . ?
C00R C023 C02W C01Z -1.2(7) . . . . ?
C00S P009 C00Q C018 -53.8(4) . . . . ?
C00S P009 C00Q C02J 128.4(4) . . . . ?
C00S P009 C01Q P008 100.7(3) . . . . ?
C00S P009 C01X Ni02 -116.9(3) . . . . ?
C00S P009 C01X P00C 83.5(5) . . . . ?
C00S C01C C01S C034 0.4(8) . . . . ?
C00S C01O C033 C034 -2.5(8) . . . . ?
C00T P007 C00L Ni01 106.8(3) . . . . ?
C00T P007 C00L P004 -101.5(5) . . . . ?
C00T P007 C00M P005 -108.3(3) . . . . ?
C00T P007 C00P C00Y 83.7(4) . . . . ?
C00T P007 C00P C03L -97.5(4) . . . . ?
C00T C01G C01J C028 -0.8(7) . . . . ?
C00U C00O C01M C032 0.3(6) . . . . ?
C00U C037 C039 C032 -0.3(7) . . . . ?
C00V C021 C02I C02Z 2.5(7) . . . . ?
C00V C02Q C03D C02Z -0.1(7) . . . . ?
C00W P004 C00G C011 69.7(4) . . . . ?
C00W P004 C00G C01E -110.9(4) . . . . ?
C00W P004 C00I Ni01 150.49(19) . . . . ?
C00W P004 C00I P006 30.8(4) . . . . ?
C00W P004 C00L Ni01 -154.68(18) . . . . ?
C00W P004 C00L P007 49.2(5) . . . . ?
C00W C01P C02V C029 -0.5(7) . . . . ?
C00X P006 C00I Ni01 -36.4(3) . . . . ?
C00X P006 C00I P004 68.4(4) . . . . ?
C00X P006 C00O C00U -167.5(3) . . . . ?
C00X P006 C00O C01M 13.5(4) . . . . ?
C00X C026 C02Y C02C 2.9(8) . . . . ?
C00Y C00P C03L C040 -1.2(8) . . . . ?
C00Y C015 C035 C040 -1.2(8) . . . . ?
C00Z P00A C019 C024 88.1(4) . . . . ?
C00Z P00A C019 C02N -84.4(4) . . . . ?
C00Z P00A C021 C00V -52.0(4) . . . . ?
C00Z P00A C021 C02I 138.5(4) . . . . ?
C00Z P00C C00K C00N -105.5(4) . . . . ?
C00Z P00C C00K C01H 76.2(4) . . . . ?
C00Z P00C C01N C02T 56.1(4) . . . . ?
C00Z P00C C01N C03E -120.5(4) . . . . ?
C00Z P00C C01X Ni02 12.0(2) . . . . ?
C00Z P00C C01X P009 175.1(4) . . . . ?
C010 C00H C017 C03G -2.3(7) . . . . ?
C010 C030 C03X C03G -1.6(8) . . . . ?
C011 C00G C01E C03S -0.4(7) . . . . ?
C012 P008 C00R C022 -170.8(3) . . . . ?
C012 P008 C00R C023 11.0(4) . . . . ?
C012 P008 C01Q P009 -97.3(3) . . . . ?
C012 C02P C047 C036 -1.2(9) . . . . ?
C012 C02U C03P C036 -0.4(8) . . . . ?
C013 P00B C00J C01W 75.8(4) . . . . ?
C013 P00B C00J C02B -101.8(4) . . . . ?
C013 P00B C020 Ni03 15.5(2) . . . . ?
C013 P00B C020 P00F 166.2(4) . . . . ?
C013 P00B C02H C02S 64.0(4) . . . . ?
C013 P00B C02H C03Q -107.5(4) . . . . ?
C013 P00D C01B C01R 92.8(4) . . . . ?
C013 P00D C01B C01T -83.9(4) . . . . ?
C013 P00D C01L C01V 136.2(4) . . . . ?
C013 P00D C01L C02E -51.3(4) . . . . ?
C014 C029 C02V C01P 1.3(8) . . . . ?
C015 C035 C040 C03L 1.0(9) . . . . ?
C016 P005 C00H C010 148.1(3) . . . . ?
C016 P005 C00H C017 -41.7(4) . . . . ?
C016 P005 C00M P007 -132.0(3) . . . . ?
C016 C02A C02X C03B 0.7(7) . . . . ?
C016 C02K C044 C03B 0.5(8) . . . . ?
C017 C00H C010 C030 1.3(7) . . . . ?
C017 C03G C03X C030 0.7(8) . . . . ?
C018 C00Q C02J C03R -0.5(7) . . . . ?
C018 C02L C048 C03R 1.1(7) . . . . ?
C019 P00A C00Z Ni02 176.4(2) . . . . ?
C019 P00A C00Z P00C 64.2(4) . . . . ?
C019 P00A C021 C00V -160.2(3) . . . . ?
C019 P00A C021 C02I 30.2(5) . . . . ?
C019 C024 C03N C042 -0.1(8) . . . . ?
C019 C02N C02O C042 -2.0(7) . . . . ?
C01A P00E C03O C03M -72.8(5) . . . . ?
C01A P00E C03O C04L 110.7(5) . . . . ?
C01A P00E C049 P00F 156.7(3) . . . . ?
C01A C03W C04E C04B -1.8(7) . . . . ?
C01A C03Y C04J C04B 0.2(8) . . . . ?
C01B P00D C013 Ni03 177.3(3) . . . . ?
C01B P00D C013 P00B 68.4(4) . . . . ?
C01B P00D C01L C01V 24.7(4) . . . . ?
C01B P00D C01L C02E -162.8(3) . . . . ?
C01B C01R C03K C031 -0.4(7) . . . . ?
C01B C01T C01Y C031 -2.9(7) . . . . ?
C01C C00S C01O C033 -0.4(7) . . . . ?
C01C C01S C034 C033 -3.2(8) . . . . ?
C01D C02C C02Y C026 -1.3(8) . . . . ?
C01E C00G C011 C03V 0.2(7) . . . . ?
C01G C00T C025 C01F 0.6(6) . . . . ?
C01G C01J C028 C01F 0.2(7) . . . . ?
C01H C00K C00N C01K 0.8(7) . . . . ?
C01H C01U C02R C01K 1.1(7) . . . . ?
C01I C00X C026 C02Y -3.6(7) . . . . ?
C01I C01D C02C C02Y 0.6(8) . . . . ?
C01L P00D C013 Ni03 63.5(3) . . . . ?
C01L P00D C013 P00B -45.4(4) . . . . ?
C01L P00D C01B C01R -154.1(4) . . . . ?
C01L P00D C01B C01T 29.1(5) . . . . ?
C01L C01V C03C C03T -0.7(7) . . . . ?
C01L C02E C03A C03T -0.1(7) . . . . ?
C01M C00O C00U C037 -0.2(6) . . . . ?
C01M C032 C039 C037 0.4(7) . . . . ?
C01N P00C C00K C00N 9.9(4) . . . . ?
C01N P00C C00K C01H -168.4(3) . . . . ?
C01N P00C C00Z Ni02 109.6(2) . . . . ?
C01N P00C C00Z P00A -125.9(4) . . . . ?
C01N P00C C01X Ni02 -96.6(2) . . . . ?
C01N P00C C01X P009 66.4(5) . . . . ?
C01N C02T C04A C04F -2.0(8) . . . . ?
C01N C03E C03J C04F -0.2(8) . . . . ?
C01O C00S C01C C01S 1.4(7) . . . . ?
C01O C033 C034 C01S 4.3(8) . . . . ?
C01P C00W C02D C014 -1.2(6) . . . . ?
C01Q P008 C00R C022 -56.8(4) . . . . ?
C01Q P008 C00R C023 124.9(4) . . . . ?
C01Q P008 C012 C02P -11.0(5) . . . . ?
C01Q P008 C012 C02U 168.5(4) . . . . ?
C01Q P009 C00Q C018 -175.0(4) . . . . ?
C01Q P009 C00Q C02J 7.2(4) . . . . ?
C01Q P009 C00S C01C -79.4(4) . . . . ?
C01Q P009 C00S C01O 100.1(5) . . . . ?
C01Q P009 C01X Ni02 5.0(4) . . . . ?
C01Q P009 C01X P00C -154.6(4) . . . . ?
C01R C01B C01T C01Y 4.5(7) . . . . ?
C01T C01B C01R C03K -2.8(7) . . . . ?
C01T C01Y C031 C03K -0.4(8) . . . . ?
C01V C01L C02E C03A -0.9(7) . . . . ?
C01V C03C C03T C03A -0.4(8) . . . . ?
C01W C00J C02B C03Z -3.1(7) . . . . ?
C01W C03F C03H C03Z -2.0(7) . . . . ?
C01X P009 C00Q C018 64.9(4) . . . . ?
C01X P009 C00Q C02J -112.9(4) . . . . ?
C01X P009 C00S C01C 37.9(5) . . . . ?
C01X P009 C00S C01O -142.6(4) . . . . ?
C01X P009 C01Q P008 -19.6(3) . . . . ?
C01X P00C C00K C00N 142.0(4) . . . . ?
C01X P00C C00K C01H -36.3(4) . . . . ?
C01X P00C C00Z Ni02 -11.6(2) . . . . ?
C01X P00C C00Z P00A 112.9(4) . . . . ?
C01X P00C C01N C02T 160.0(4) . . . . ?
C01X P00C C01N C03E -16.6(5) . . . . ?
C01Y C031 C03K C01R 2.1(8) . . . . ?
C020 P00B C00J C01W -38.8(4) . . . . ?
C020 P00B C00J C02B 143.6(4) . . . . ?
C020 P00B C013 Ni03 -14.9(2) . . . . ?
C020 P00B C013 P00D 107.1(4) . . . . ?
C020 P00B C02H C02S 167.3(4) . . . . ?
C020 P00B C02H C03Q -4.1(5) . . . . ?
C020 P00F C02F C02M -157.5(4) . . . . ?
C020 P00F C02F C038 30.5(5) . . . . ?
C020 P00F C02G C03U -110.9(4) . . . . ?
C020 P00F C02G C043 64.7(5) . . . . ?
C020 P00F C049 P00E -16.5(4) . . . . ?
C021 P00A C00Z Ni02 64.2(3) . . . . ?
C021 P00A C00Z P00C -48.1(4) . . . . ?
C021 P00A C019 C024 -160.0(3) . . . . ?
C021 P00A C019 C02N 27.4(5) . . . . ?
C021 C00V C02Q C03D 1.2(7) . . . . ?
C021 C02I C02Z C03D -1.5(8) . . . . ?
C022 C00R C023 C02W -0.1(7) . . . . ?
C023 C00R C022 C027 1.3(7) . . . . ?
C024 C019 C02N C02O 3.0(7) . . . . ?
C024 C03N C042 C02O 1.2(8) . . . . ?
C025 C00T C01G C01J 0.4(6) . . . . ?
C025 C01F C028 C01J 0.8(7) . . . . ?
C026 C00X C01I C01D 2.8(7) . . . . ?
C027 C01Z C02W C023 1.3(7) . . . . ?
C028 C01F C025 C00T -1.2(7) . . . . ?
C029 C014 C02D C00W 2.1(7) . . . . ?
C02A C016 C02K C044 -0.1(7) . . . . ?
C02A C02X C03B C044 -0.3(8) . . . . ?
C02B C00J C01W C03F 3.4(7) . . . . ?
C02C C01D C01I C00X -1.4(7) . . . . ?
C02D C00W C01P C02V 0.4(7) . . . . ?
C02D C014 C029 C02V -2.2(8) . . . . ?
C02E C01L C01V C03C 1.4(7) . . . . ?
C02E C03A C03T C03C 0.9(8) . . . . ?
C02F P00F C020 Ni03 -124.1(3) . . . . ?
C02F P00F C020 P00B 92.2(5) . . . . ?
C02F P00F C02G C03U 128.7(4) . . . . ?
C02F P00F C02G C043 -55.7(5) . . . . ?
C02F P00F C049 P00E 104.3(4) . . . . ?
C02F C02M C041 C045 1.2(8) . . . . ?
C02F C038 C04D C045 -1.3(8) . . . . ?
C02G P00F C020 Ni03 121.1(3) . . . . ?
C02G P00F C020 P00B -22.6(5) . . . . ?
C02G P00F C02F C02M -35.3(5) . . . . ?
C02G P00F C02F C038 152.6(4) . . . . ?
C02G P00F C049 P00E -141.3(3) . . . . ?
C02G C03U C04K C04M 0.9(9) . . . . ?
C02G C043 C04I C04M -0.2(9) . . . . ?
C02H P00B C00J C01W -172.4(3) . . . . ?
C02H P00B C00J C02B 10.0(4) . . . . ?
C02H P00B C013 Ni03 106.1(2) . . . . ?
C02H P00B C013 P00D -131.9(4) . . . . ?
C02H P00B C020 Ni03 -90.4(2) . . . . ?
C02H P00B C020 P00F 60.4(5) . . . . ?
C02H C02S C046 C04H 1.6(8) . . . . ?
C02H C03Q C04C C04H 1.3(8) . . . . ?
C02I C02Z C03D C02Q 0.3(8) . . . . ?
C02J C00Q C018 C02L -0.8(7) . . . . ?
C02J C03R C048 C02L -2.5(8) . . . . ?
C02K C016 C02A C02X -0.5(7) . . . . ?
C02M C02F C038 C04D 1.0(8) . . . . ?
C02M C041 C045 C04D -1.4(9) . . . . ?
C02N C019 C024 C03N -2.0(7) . . . . ?
C02N C02O C042 C03N -0.1(8) . . . . ?
C02P C012 C02U C03P -2.0(7) . . . . ?
C02Q C00V C021 P00A -172.7(4) . . . . ?
C02Q C00V C021 C02I -2.4(7) . . . . ?
C02S C02H C03Q C04C 1.2(7) . . . . ?
C02S C046 C04H C04C 0.9(9) . . . . ?
C02T C01N C03E C03J 1.1(7) . . . . ?
C02T C04A C04F C03J 2.9(9) . . . . ?
C02U C012 C02P C047 2.8(8) . . . . ?
C02W C01Z C027 C022 -0.1(7) . . . . ?
C02X C03B C044 C02K -0.3(8) . . . . ?
C038 C02F C02M C041 -1.0(8) . . . . ?
C03E C01N C02T C04A 0.0(7) . . . . ?
C03E C03J C04F C04A -1.8(8) . . . . ?
C03F C03H C03Z C02B 2.3(8) . . . . ?
C03L C00P C00Y C015 1.1(7) . . . . ?
C03M C03O C04L C04O -1.2(9) . . . . ?
C03M C04G C04N C04O 0.1(10) . . . . ?
C03O P00E C01A C03W 177.5(4) . . . . ?
C03O P00E C01A C03Y -3.1(5) . . . . ?
C03O P00E C049 P00F -93.1(4) . . . . ?
C03O C03M C04G C04N -1.2(9) . . . . ?
C03O C04L C04O C04N 0.2(10) . . . . ?
C03P C036 C047 C02P -1.2(8) . . . . ?
C03Q C02H C02S C046 -2.6(7) . . . . ?
C03Q C04C C04H C046 -2.3(9) . . . . ?
C03S C03I C03V C011 -0.9(8) . . . . ?
C03U C02G C043 C04I -0.3(8) . . . . ?
C03U C04K C04M C04I -1.4(10) . . . . ?
C03V C03I C03S C01E 0.8(8) . . . . ?
C03W C01A C03Y C04J -2.1(7) . . . . ?
C03Y C01A C03W C04E 2.9(7) . . . . ?
C041 C045 C04D C038 1.4(9) . . . . ?
C043 C02G C03U C04K 0.0(8) . . . . ?
C043 C04I C04M C04K 1.1(9) . . . . ?
C047 C036 C03P C02U 2.0(8) . . . . ?
C049 P00E C01A C03W -67.4(4) . . . . ?
C049 P00E C01A C03Y 112.0(5) . . . . ?
C049 P00E C03O C03M 175.5(4) . . . . ?
C049 P00E C03O C04L -1.0(5) . . . . ?
C049 P00F C020 Ni03 -3.0(4) . . . . ?
C049 P00F C020 P00B -146.7(4) . . . . ?
C049 P00F C02F C02M 85.8(5) . . . . ?
C049 P00F C02F C038 -86.2(5) . . . . ?
C049 P00F C02G C03U 8.5(5) . . . . ?
C049 P00F C02G C043 -175.9(4) . . . . ?
C04E C04B C04J C03Y 0.9(9) . . . . ?
C04G C03M C03O P00E -174.9(5) . . . . ?
C04G C03M C03O C04L 1.7(8) . . . . ?
C04G C04N C04O C04L 0.4(11) . . . . ?
C04J C04B C04E C03W -0.1(8) . . . . ?
C04V C04X C04Z O04Q 37.5(12) . . . . ?
C04X C04V C04Y O04Q -9.6(15) . . . . ?
C04Y O04Q C04Z C04X -39.7(10) . . . . ?
C04Y C04V C04X C04Z -18.9(14) . . . . ?
C04Z O04Q C04Y C04V 29.6(10) . . . . ?
C6 C8 C10 C11 -178.6(8) . . . . ?
C7 C6 C8 C10 -176.2(7) . . . . ?
C8 C6 C7 C9 -170.1(8) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
