# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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. 
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data_final11
_database_code_depnum_ccdc_archive 'CCDC 2251021'
loop_
_audit_author_name
_audit_author_address
'Brady J. H. Austen'
;The University of Windsor
Canada
;
_audit_update_record             
;
2023-03-22 deposited with the CCDC.	2023-06-14 downloaded from the CCDC.
;
_audit_creation_date             2022-12-16
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C42 H81 B2 N Ni P2, C7 H8'
_chemical_formula_sum            'C49 H89 B2 N Ni P2'
_chemical_formula_weight         834.48
_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'
N N 0.0061 0.0033 '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                   13.2771(17)
_cell_length_b                   13.8480(18)
_cell_length_c                   15.682(2)
_cell_angle_alpha                67.397(5)
_cell_angle_beta                 68.276(5)
_cell_angle_gamma                78.741(5)
_cell_volume                     2468.0(6)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9315
_cell_measurement_temperature    170.0
_cell_measurement_theta_max      28.35
_cell_measurement_theta_min      2.23
_shelx_estimated_absorpt_T_max   0.976
_shelx_estimated_absorpt_T_min   0.953
_exptl_absorpt_coefficient_mu    0.490
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6837
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1102 before and 0.0565 after correction.
The Ratio of minimum to maximum transmission is 0.9169.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_lustre     .
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.123
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             916
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0511
_diffrn_reflns_av_unetI/netI     0.0231
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            159104
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.400
_diffrn_reflns_theta_min         1.985
_diffrn_ambient_temperature      170.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10550
_reflns_number_total             12337
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.034
_refine_diff_density_min         -0.451
_refine_diff_density_rms         0.067
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.110
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     504
_refine_ls_number_reflns         12337
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0534
_refine_ls_R_factor_gt           0.0419
_refine_ls_restrained_S_all      1.110
_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)+(0.0624P)²+1.5743P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1124
_refine_ls_wR_factor_ref         0.1260
_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.a Ternary CH refined with riding coordinates:
 C1(H1), C7(H7), C29(H29), C35(H35)
2.b Secondary CH2 refined with riding coordinates:
 C13(H13A,H13B), C26(H26A,H26B), C14(H14A,H14B), C15(H15A,H15B), C27(H27A,
 H27B), C8(H8A,H8B), C12(H12A,H12B), C2(H2A,H2B), C20(H20A,H20B), C6(H6A,H6B),
 C11(H11A,H11B), C28(H28A,H28B), C21(H21A,H21B), C34(H34A,H34B), C10(H10A,H10B),
  C36(H36A,H36B), C5(H5A,H5B), C3(H3A,H3B), C9(H9A,H9B), C4(H4A,H4B), C33(H33A,
 H33B), C30(H30A,H30B), C40(H40A,H40B), C32(H32A,H32B), C37(H37A,H37B),
 C31(H31A,H31B), C38(H38A,H38B), C39(H39A,H39B)
2.c Aromatic/amide H refined with riding coordinates:
 C49(H49), C43(H43), C46(H46), C44(H44), C45(H45)
2.d Idealised Me refined as rotating group:
 C48(H48A,H48B,H48C), C18(H18A,H18B,H18C), C25(H25A,H25B,H25C), C19(H19A,H19B,
 H19C), C17(H17A,H17B,H17C), C24(H24A,H24B,H24C), C23(H23A,H23B,H23C), C41(H41A,
 H41B,H41C)
;
_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 0.34968(2) 0.52356(2) 0.36980(2) 0.02122(7) Uani 1 1 d . . . . .
P2 P 0.73278(3) 0.33140(3) 0.61236(3) 0.02133(9) Uani 1 1 d . . . . .
P1 P 0.66284(4) 0.42600(3) 0.77830(3) 0.02294(10) Uani 1 1 d . . . . .
N1 N 0.42612(12) 0.39407(11) 0.41839(10) 0.0231(3) Uani 1 1 d . . . . .
C1 C 0.40029(14) 0.21798(13) 0.41439(13) 0.0258(3) Uani 1 1 d . . . . .
H1 H 0.3607 0.2667 0.3694 0.031 Uiso 1 1 calc R U . . .
C16 C 0.87252(14) 0.33392(15) 0.52052(13) 0.0282(3) Uani 1 1 d . . . . .
C47 C 0.38202(14) 0.43564(13) 0.48140(12) 0.0237(3) Uani 1 1 d . . . . .
C13 C 0.54456(15) 0.23290(13) 0.49588(13) 0.0247(3) Uani 1 1 d . . . . .
H13A H 0.4831 0.2194 0.5580 0.030 Uiso 1 1 calc R U . . .
H13B H 0.5808 0.1641 0.4930 0.030 Uiso 1 1 calc R U . . .
C26 C 0.54236(15) 0.38187(14) 0.88574(13) 0.0287(4) Uani 1 1 d . . . . .
H26A H 0.5632 0.3601 0.9452 0.034 Uiso 1 1 calc R U . . .
H26B H 0.4879 0.4419 0.8870 0.034 Uiso 1 1 calc R U . . .
C14 C 0.62570(15) 0.29529(13) 0.49947(13) 0.0257(3) Uani 1 1 d . . . . .
H14A H 0.6935 0.2976 0.4439 0.031 Uiso 1 1 calc R U . . .
H14B H 0.5951 0.3682 0.4912 0.031 Uiso 1 1 calc R U . . .
C15 C 0.65347(14) 0.24977(13) 0.59449(13) 0.0247(3) Uani 1 1 d . . . . .
H15A H 0.6946 0.1815 0.5970 0.030 Uiso 1 1 calc R U . . .
H15B H 0.5847 0.2360 0.6500 0.030 Uiso 1 1 calc R U . . .
C27 C 0.48932(17) 0.29113(15) 0.88947(14) 0.0329(4) Uani 1 1 d . . . . .
H27A H 0.4709 0.3111 0.8290 0.039 Uiso 1 1 calc R U . . .
H27B H 0.5418 0.2293 0.8922 0.039 Uiso 1 1 calc R U . . .
C8 C 0.68451(15) 0.23551(15) 0.28622(14) 0.0304(4) Uani 1 1 d . . . . .
H8A H 0.7247 0.2312 0.3298 0.037 Uiso 1 1 calc R U . . .
H8B H 0.6557 0.1662 0.3078 0.037 Uiso 1 1 calc R U . . .
C48 C 0.37149(17) 0.40971(15) 0.58598(13) 0.0316(4) Uani 1 1 d . . . . .
H48A H 0.4368 0.4288 0.5895 0.047 Uiso 1 1 calc R U . . .
H48B H 0.3631 0.3344 0.6206 0.047 Uiso 1 1 calc R U . . .
H48C H 0.3077 0.4489 0.6164 0.047 Uiso 1 1 calc R U . . .
C7 C 0.58865(14) 0.31855(14) 0.29608(13) 0.0265(3) Uani 1 1 d . . . . .
H7 H 0.5523 0.3217 0.2493 0.032 Uiso 1 1 calc R U . . .
C22 C 0.72208(15) 0.51384(15) 0.81099(14) 0.0287(4) Uani 1 1 d . . . . .
C12 C 0.63635(16) 0.42600(15) 0.25774(14) 0.0308(4) Uani 1 1 d . . . . .
H12A H 0.5762 0.4809 0.2602 0.037 Uiso 1 1 calc R U . . .
H12B H 0.6748 0.4261 0.3011 0.037 Uiso 1 1 calc R U . . .
C2 C 0.44208(17) 0.12339(16) 0.38009(16) 0.0352(4) Uani 1 1 d . . . . .
H2A H 0.4937 0.1469 0.3126 0.042 Uiso 1 1 calc R U . . .
H2B H 0.4821 0.0722 0.4226 0.042 Uiso 1 1 calc R U . . .
C20 C 0.74995(15) 0.24462(14) 0.73074(13) 0.0268(3) Uani 1 1 d . . . . .
H20A H 0.6876 0.1996 0.7692 0.032 Uiso 1 1 calc R U . . .
H20B H 0.8168 0.1984 0.7185 0.032 Uiso 1 1 calc R U . . .
C6 C 0.31373(18) 0.18213(18) 0.51571(16) 0.0396(5) Uani 1 1 d . . . . .
H6A H 0.3485 0.1319 0.5631 0.048 Uiso 1 1 calc R U . . .
H6B H 0.2834 0.2435 0.5369 0.048 Uiso 1 1 calc R U . . .
C18 C 0.87244(16) 0.42133(18) 0.42381(15) 0.0377(4) Uani 1 1 d . . . . .
H18A H 0.8206 0.4072 0.3996 0.057 Uiso 1 1 calc R U . . .
H18B H 0.9454 0.4239 0.3757 0.057 Uiso 1 1 calc R U . . .
H18C H 0.8513 0.4887 0.4345 0.057 Uiso 1 1 calc R U . . .
C11 C 0.71518(18) 0.45260(18) 0.15314(16) 0.0398(5) Uani 1 1 d . . . . .
H11A H 0.6754 0.4595 0.1086 0.048 Uiso 1 1 calc R U . . .
H11B H 0.7456 0.5207 0.1331 0.048 Uiso 1 1 calc R U . . .
C25 C 0.63514(17) 0.59801(16) 0.83582(15) 0.0346(4) Uani 1 1 d . . . . .
H25A H 0.6032 0.6315 0.7833 0.052 Uiso 1 1 calc R U . . .
H25B H 0.6681 0.6508 0.8428 0.052 Uiso 1 1 calc R U . . .
H25C H 0.5783 0.5657 0.8973 0.052 Uiso 1 1 calc R U . . .
C29 C 0.21887(17) 0.13805(16) 1.09263(15) 0.0346(4) Uani 1 1 d . . . . .
H29 H 0.1723 0.0984 1.0815 0.041 Uiso 1 1 calc R U . . .
C28 C 0.38643(17) 0.26174(15) 0.97780(15) 0.0345(4) Uani 1 1 d . . . . .
H28A H 0.3338 0.3234 0.9705 0.041 Uiso 1 1 calc R U . . .
H28B H 0.4055 0.2511 1.0363 0.041 Uiso 1 1 calc R U . . .
C21 C 0.75751(15) 0.30767(14) 0.79036(13) 0.0281(4) Uani 1 1 d . . . . .
H21A H 0.8328 0.3289 0.7671 0.034 Uiso 1 1 calc R U . . .
H21B H 0.7398 0.2629 0.8600 0.034 Uiso 1 1 calc R U . . .
C19 C 0.95149(17) 0.35999(19) 0.55844(16) 0.0389(4) Uani 1 1 d . . . . .
H19A H 0.9257 0.4256 0.5720 0.058 Uiso 1 1 calc R U . . .
H19B H 1.0238 0.3679 0.5089 0.058 Uiso 1 1 calc R U . . .
H19C H 0.9554 0.3032 0.6186 0.058 Uiso 1 1 calc R U . . .
C17 C 0.91055(17) 0.22957(17) 0.50327(17) 0.0393(5) Uani 1 1 d . . . . .
H17A H 0.9085 0.1736 0.5654 0.059 Uiso 1 1 calc R U . . .
H17B H 0.9850 0.2336 0.4576 0.059 Uiso 1 1 calc R U . . .
H17C H 0.8625 0.2146 0.4757 0.059 Uiso 1 1 calc R U . . .
C24 C 0.81640(17) 0.56609(18) 0.72083(17) 0.0392(4) Uani 1 1 d . . . . .
H24A H 0.8726 0.5123 0.7049 0.059 Uiso 1 1 calc R U . . .
H24B H 0.8472 0.6152 0.7345 0.059 Uiso 1 1 calc R U . . .
H24C H 0.7898 0.6042 0.6654 0.059 Uiso 1 1 calc R U . . .
C34 C 0.25591(18) 0.06462(17) 1.18034(15) 0.0386(4) Uani 1 1 d . . . . .
H34A H 0.2969 0.0020 1.1654 0.046 Uiso 1 1 calc R U . . .
H34B H 0.3054 0.1015 1.1900 0.046 Uiso 1 1 calc R U . . .
C35 C 0.36794(17) 0.09513(16) 0.93267(15) 0.0347(4) Uani 1 1 d . . . . .
H35 H 0.4480 0.1020 0.8997 0.042 Uiso 1 1 calc R U . . .
C23 C 0.7633(2) 0.45386(19) 0.89792(17) 0.0431(5) Uani 1 1 d . . . . .
H23A H 0.7043 0.4153 0.9537 0.065 Uiso 1 1 calc R U . . .
H23B H 0.7880 0.5035 0.9156 0.065 Uiso 1 1 calc R U . . .
H23C H 0.8238 0.4044 0.8800 0.065 Uiso 1 1 calc R U . . .
C10 C 0.80751(18) 0.36846(19) 0.14417(17) 0.0441(5) Uani 1 1 d . . . . .
H10A H 0.8527 0.3673 0.1826 0.053 Uiso 1 1 calc R U . . .
H10B H 0.8541 0.3853 0.0749 0.053 Uiso 1 1 calc R U . . .
C36 C 0.3106(2) 0.15064(18) 0.85474(16) 0.0412(5) Uani 1 1 d . . . . .
H36A H 0.2309 0.1490 0.8871 0.049 Uiso 1 1 calc R U . . .
H36B H 0.3290 0.2249 0.8224 0.049 Uiso 1 1 calc R U . . .
C5 C 0.22089(19) 0.1302(2) 0.51711(19) 0.0462(5) Uani 1 1 d . . . . .
H5A H 0.1688 0.1065 0.5843 0.055 Uiso 1 1 calc R U . . .
H5B H 0.1817 0.1819 0.4742 0.055 Uiso 1 1 calc R U . . .
C3 C 0.35095(19) 0.06938(18) 0.38215(18) 0.0434(5) Uani 1 1 d . . . . .
H3A H 0.3170 0.1175 0.3333 0.052 Uiso 1 1 calc R U . . .
H3B H 0.3820 0.0064 0.3637 0.052 Uiso 1 1 calc R U . . .
C9 C 0.76314(17) 0.26081(18) 0.18111(16) 0.0396(5) Uani 1 1 d . . . . .
H9A H 0.8241 0.2067 0.1788 0.048 Uiso 1 1 calc R U . . .
H9B H 0.7249 0.2596 0.1381 0.048 Uiso 1 1 calc R U . . .
C4 C 0.2642(2) 0.03727(18) 0.48253(19) 0.0459(5) Uani 1 1 d . . . . .
H4A H 0.2038 0.0082 0.4793 0.055 Uiso 1 1 calc R U . . .
H4B H 0.2956 -0.0181 0.5299 0.055 Uiso 1 1 calc R U . . .
C33 C 0.1602(2) 0.0299(2) 1.27435(17) 0.0487(5) Uani 1 1 d . . . . .
H33A H 0.1157 -0.0146 1.2676 0.058 Uiso 1 1 calc R U . . .
H33B H 0.1880 -0.0128 1.3290 0.058 Uiso 1 1 calc R U . . .
C30 C 0.14935(19) 0.23112(19) 1.11951(18) 0.0453(5) Uani 1 1 d . . . . .
H30A H 0.1951 0.2730 1.1280 0.054 Uiso 1 1 calc R U . . .
H30B H 0.1220 0.2767 1.0653 0.054 Uiso 1 1 calc R U . . .
B2 B 0.49470(16) 0.28656(15) 0.40551(14) 0.0240(4) Uani 1 1 d . . . . .
C40 C 0.3462(2) -0.02184(18) 0.97824(19) 0.0482(6) Uani 1 1 d . . . . .
H40A H 0.2679 -0.0299 1.0153 0.058 Uiso 1 1 calc R U . . .
H40B H 0.3870 -0.0577 1.0247 0.058 Uiso 1 1 calc R U . . .
C32 C 0.0896(2) 0.1223(2) 1.29813(19) 0.0528(6) Uani 1 1 d . . . . .
H32A H 0.0251 0.0963 1.3561 0.063 Uiso 1 1 calc R U . . .
H32B H 0.1309 0.1610 1.3145 0.063 Uiso 1 1 calc R U . . .
C37 C 0.3448(2) 0.0978(2) 0.77751(18) 0.0544(6) Uani 1 1 d . . . . .
H37A H 0.3039 0.1328 0.7309 0.065 Uiso 1 1 calc R U . . .
H37B H 0.4231 0.1057 0.7405 0.065 Uiso 1 1 calc R U . . .
B1 B 0.32517(19) 0.16397(17) 1.00072(16) 0.0312(4) Uani 1 1 d . . . . .
C31 C 0.0529(2) 0.1955(2) 1.2135(2) 0.0562(6) Uani 1 1 d . . . . .
H31A H 0.0121 0.2577 1.2295 0.067 Uiso 1 1 calc R U . . .
H31B H 0.0033 0.1596 1.2030 0.067 Uiso 1 1 calc R U . . .
C38 C 0.3233(3) -0.0171(2) 0.8243(2) 0.0586(7) Uani 1 1 d . . . . .
H38A H 0.3489 -0.0497 0.7732 0.070 Uiso 1 1 calc R U . . .
H38B H 0.2440 -0.0246 0.8560 0.070 Uiso 1 1 calc R U . . .
C39 C 0.3801(3) -0.0739(2) 0.9001(2) 0.0597(7) Uani 1 1 d . . . . .
H39A H 0.4598 -0.0726 0.8676 0.072 Uiso 1 1 calc R U . . .
H39B H 0.3612 -0.1481 0.9317 0.072 Uiso 1 1 calc R U . . .
C49 C -0.0170(3) 0.2330(3) 0.9417(3) 0.0747(10) Uani 1 1 d . . . . .
H49 H -0.0391 0.2517 0.9986 0.090 Uiso 1 1 calc R U . . .
C43 C 0.0760(3) 0.2699(3) 0.7696(2) 0.0759(10) Uani 1 1 d . . . . .
H43 H 0.1177 0.3140 0.7076 0.091 Uiso 1 1 calc R U . . .
C42 C 0.0430(3) 0.2983(3) 0.8517(3) 0.0772(10) Uani 1 1 d . . . . .
C46 C -0.0427(4) 0.1415(4) 0.9455(4) 0.0929(12) Uani 1 1 d . . . . .
H46 H -0.0843 0.0964 1.0070 0.111 Uiso 1 1 calc R U . . .
C41 C 0.0752(4) 0.3991(4) 0.8432(4) 0.1209(19) Uani 1 1 d . . . . .
H41A H 0.0209 0.4551 0.8257 0.181 Uiso 1 1 calc R U . . .
H41B H 0.1461 0.4152 0.7924 0.181 Uiso 1 1 calc R U . . .
H41C H 0.0799 0.3937 0.9058 0.181 Uiso 1 1 calc R U . . .
C44 C 0.0439(4) 0.1697(5) 0.7828(4) 0.1096(16) Uani 1 1 d . . . . .
H44 H 0.0658 0.1480 0.7276 0.132 Uiso 1 1 calc R U . . .
C45 C -0.0126(4) 0.1089(4) 0.8656(5) 0.1093(16) Uani 1 1 d . . . . .
H45 H -0.0332 0.0438 0.8721 0.131 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ni1 P2 2.1581(5) 2_666 ?
Ni1 P1 2.2142(6) 2_666 ?
Ni1 N1 1.9073(14) . ?
Ni1 C47 1.8557(17) . ?
P2 Ni1 2.1581(5) 2_666 ?
P2 C16 1.8779(18) . ?
P2 C15 1.8416(17) . ?
P2 C20 1.8530(18) . ?
P1 Ni1 2.2142(5) 2_666 ?
P1 C26 1.8347(19) . ?
P1 C22 1.8742(18) . ?
P1 C21 1.8532(18) . ?
N1 C47 1.236(2) . ?
N1 B2 1.629(2) . ?
C1 H1 1.0000 . ?
C1 C2 1.533(2) . ?
C1 C6 1.535(3) . ?
C1 B2 1.651(3) . ?
C16 C18 1.535(3) . ?
C16 C19 1.535(3) . ?
C16 C17 1.527(3) . ?
C47 C48 1.495(2) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 C14 1.535(2) . ?
C13 B2 1.640(2) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C26 C27 1.529(3) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C14 C15 1.532(2) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C27 C28 1.528(3) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C8 C7 1.545(2) . ?
C8 C9 1.534(3) . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C7 H7 1.0000 . ?
C7 C12 1.541(3) . ?
C7 B2 1.656(3) . ?
C22 C25 1.528(3) . ?
C22 C24 1.532(3) . ?
C22 C23 1.534(3) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C12 C11 1.529(3) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C2 C3 1.527(3) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C20 C21 1.542(2) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C6 C5 1.534(3) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C11 C10 1.524(3) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C29 H29 1.0000 . ?
C29 C34 1.549(3) . ?
C29 C30 1.535(3) . ?
C29 B1 1.579(3) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C28 B1 1.569(3) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C34 C33 1.525(3) . ?
C35 H35 1.0000 . ?
C35 C36 1.550(3) . ?
C35 C40 1.535(3) . ?
C35 B1 1.579(3) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C10 C9 1.527(3) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C36 C37 1.534(3) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C5 C4 1.515(3) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C3 C4 1.524(3) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C33 C32 1.514(3) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C30 C31 1.532(4) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C40 C39 1.538(3) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C32 C31 1.509(4) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C37 C38 1.509(4) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C38 C39 1.522(4) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C49 H49 0.9500 . ?
C49 C42 1.382(5) . ?
C49 C46 1.350(6) . ?
C43 H43 0.9500 . ?
C43 C42 1.381(5) . ?
C43 C44 1.448(7) . ?
C42 C41 1.482(6) . ?
C46 H46 0.9500 . ?
C46 C45 1.388(7) . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C44 H44 0.9500 . ?
C44 C45 1.282(7) . ?
C45 H45 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
P2 Ni1 P1 90.877(18) 2_666 2_666 ?
N1 Ni1 P2 148.96(5) . 2_666 ?
N1 Ni1 P1 119.95(5) . 2_666 ?
C47 Ni1 P2 111.11(5) . 2_666 ?
C47 Ni1 P1 157.94(5) . 2_666 ?
C47 Ni1 N1 38.32(7) . . ?
C16 P2 Ni1 119.18(6) . 2_666 ?
C15 P2 Ni1 115.34(6) . 2_666 ?
C15 P2 C16 107.07(8) . . ?
C15 P2 C20 100.62(8) . . ?
C20 P2 Ni1 107.80(6) . 2_666 ?
C20 P2 C16 104.70(8) . . ?
C26 P1 Ni1 119.55(6) . 2_666 ?
C26 P1 C22 102.72(8) . . ?
C26 P1 C21 102.96(9) . . ?
C22 P1 Ni1 119.76(6) . 2_666 ?
C21 P1 Ni1 106.23(6) . 2_666 ?
C21 P1 C22 103.35(8) . . ?
C47 N1 Ni1 68.58(10) . . ?
C47 N1 B2 140.38(15) . . ?
B2 N1 Ni1 150.76(11) . . ?
C2 C1 H1 105.7 . . ?
C2 C1 C6 108.43(16) . . ?
C2 C1 B2 115.65(15) . . ?
C6 C1 H1 105.7 . . ?
C6 C1 B2 114.84(14) . . ?
B2 C1 H1 105.7 . . ?
C18 C16 P2 108.86(12) . . ?
C18 C16 C19 108.32(17) . . ?
C19 C16 P2 108.13(13) . . ?
C17 C16 P2 112.50(14) . . ?
C17 C16 C18 109.62(17) . . ?
C17 C16 C19 109.30(16) . . ?
N1 C47 Ni1 73.10(10) . . ?
N1 C47 C48 136.52(16) . . ?
C48 C47 Ni1 150.36(13) . . ?
H13A C13 H13B 107.3 . . ?
C14 C13 H13A 108.1 . . ?
C14 C13 H13B 108.1 . . ?
C14 C13 B2 116.91(14) . . ?
B2 C13 H13A 108.1 . . ?
B2 C13 H13B 108.1 . . ?
P1 C26 H26A 108.6 . . ?
P1 C26 H26B 108.6 . . ?
H26A C26 H26B 107.6 . . ?
C27 C26 P1 114.61(13) . . ?
C27 C26 H26A 108.6 . . ?
C27 C26 H26B 108.6 . . ?
C13 C14 H14A 108.8 . . ?
C13 C14 H14B 108.8 . . ?
H14A C14 H14B 107.7 . . ?
C15 C14 C13 113.81(14) . . ?
C15 C14 H14A 108.8 . . ?
C15 C14 H14B 108.8 . . ?
P2 C15 H15A 108.2 . . ?
P2 C15 H15B 108.2 . . ?
C14 C15 P2 116.15(12) . . ?
C14 C15 H15A 108.2 . . ?
C14 C15 H15B 108.2 . . ?
H15A C15 H15B 107.4 . . ?
C26 C27 H27A 109.2 . . ?
C26 C27 H27B 109.2 . . ?
H27A C27 H27B 107.9 . . ?
C28 C27 C26 112.06(15) . . ?
C28 C27 H27A 109.2 . . ?
C28 C27 H27B 109.2 . . ?
H8A C8 H8B 107.8 . . ?
C7 C8 H8A 109.1 . . ?
C7 C8 H8B 109.1 . . ?
C9 C8 H8A 109.1 . . ?
C9 C8 H8B 109.1 . . ?
C9 C8 C7 112.44(16) . . ?
C47 C48 H48A 109.5 . . ?
C47 C48 H48B 109.5 . . ?
C47 C48 H48C 109.5 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C8 C7 H7 106.1 . . ?
C8 C7 B2 113.64(14) . . ?
C12 C7 C8 107.77(15) . . ?
C12 C7 H7 106.1 . . ?
C12 C7 B2 116.38(14) . . ?
B2 C7 H7 106.1 . . ?
C25 C22 P1 108.75(13) . . ?
C25 C22 C24 109.24(17) . . ?
C25 C22 C23 109.30(16) . . ?
C24 C22 P1 107.35(13) . . ?
C24 C22 C23 109.73(17) . . ?
C23 C22 P1 112.41(14) . . ?
C7 C12 H12A 109.1 . . ?
C7 C12 H12B 109.1 . . ?
H12A C12 H12B 107.8 . . ?
C11 C12 C7 112.62(16) . . ?
C11 C12 H12A 109.1 . . ?
C11 C12 H12B 109.1 . . ?
C1 C2 H2A 109.0 . . ?
C1 C2 H2B 109.0 . . ?
H2A C2 H2B 107.8 . . ?
C3 C2 C1 112.76(17) . . ?
C3 C2 H2A 109.0 . . ?
C3 C2 H2B 109.0 . . ?
P2 C20 H20A 109.2 . . ?
P2 C20 H20B 109.2 . . ?
H20A C20 H20B 107.9 . . ?
C21 C20 P2 111.85(12) . . ?
C21 C20 H20A 109.2 . . ?
C21 C20 H20B 109.2 . . ?
C1 C6 H6A 109.0 . . ?
C1 C6 H6B 109.0 . . ?
H6A C6 H6B 107.8 . . ?
C5 C6 C1 112.79(17) . . ?
C5 C6 H6A 109.0 . . ?
C5 C6 H6B 109.0 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C12 C11 H11A 109.3 . . ?
C12 C11 H11B 109.3 . . ?
H11A C11 H11B 108.0 . . ?
C10 C11 C12 111.42(17) . . ?
C10 C11 H11A 109.3 . . ?
C10 C11 H11B 109.3 . . ?
C22 C25 H25A 109.5 . . ?
C22 C25 H25B 109.5 . . ?
C22 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C34 C29 H29 108.2 . . ?
C34 C29 B1 106.39(17) . . ?
C30 C29 H29 108.2 . . ?
C30 C29 C34 108.50(17) . . ?
C30 C29 B1 117.01(18) . . ?
B1 C29 H29 108.2 . . ?
C27 C28 H28A 107.2 . . ?
C27 C28 H28B 107.2 . . ?
C27 C28 B1 120.32(17) . . ?
H28A C28 H28B 106.9 . . ?
B1 C28 H28A 107.2 . . ?
B1 C28 H28B 107.2 . . ?
P1 C21 H21A 109.4 . . ?
P1 C21 H21B 109.4 . . ?
C20 C21 P1 111.11(12) . . ?
C20 C21 H21A 109.4 . . ?
C20 C21 H21B 109.4 . . ?
H21A C21 H21B 108.0 . . ?
C16 C19 H19A 109.5 . . ?
C16 C19 H19B 109.5 . . ?
C16 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C29 C34 H34A 109.2 . . ?
C29 C34 H34B 109.2 . . ?
H34A C34 H34B 107.9 . . ?
C33 C34 C29 112.12(19) . . ?
C33 C34 H34A 109.2 . . ?
C33 C34 H34B 109.2 . . ?
C36 C35 H35 108.5 . . ?
C36 C35 B1 102.80(16) . . ?
C40 C35 H35 108.5 . . ?
C40 C35 C36 109.66(18) . . ?
C40 C35 B1 118.55(18) . . ?
B1 C35 H35 108.5 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C11 C10 H10A 109.5 . . ?
C11 C10 H10B 109.5 . . ?
C11 C10 C9 110.78(18) . . ?
H10A C10 H10B 108.1 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C35 C36 H36A 109.3 . . ?
C35 C36 H36B 109.3 . . ?
H36A C36 H36B 108.0 . . ?
C37 C36 C35 111.5(2) . . ?
C37 C36 H36A 109.3 . . ?
C37 C36 H36B 109.3 . . ?
C6 C5 H5A 109.5 . . ?
C6 C5 H5B 109.5 . . ?
H5A C5 H5B 108.1 . . ?
C4 C5 C6 110.77(19) . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
C2 C3 H3A 109.2 . . ?
C2 C3 H3B 109.2 . . ?
H3A C3 H3B 107.9 . . ?
C4 C3 C2 112.04(18) . . ?
C4 C3 H3A 109.2 . . ?
C4 C3 H3B 109.2 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
C10 C9 C8 110.77(17) . . ?
C10 C9 H9A 109.5 . . ?
C10 C9 H9B 109.5 . . ?
H9A C9 H9B 108.1 . . ?
C5 C4 C3 110.92(19) . . ?
C5 C4 H4A 109.5 . . ?
C5 C4 H4B 109.5 . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 108.0 . . ?
C34 C33 H33A 109.2 . . ?
C34 C33 H33B 109.2 . . ?
H33A C33 H33B 107.9 . . ?
C32 C33 C34 112.0(2) . . ?
C32 C33 H33A 109.2 . . ?
C32 C33 H33B 109.2 . . ?
C29 C30 H30A 109.2 . . ?
C29 C30 H30B 109.2 . . ?
H30A C30 H30B 107.9 . . ?
C31 C30 C29 112.0(2) . . ?
C31 C30 H30A 109.2 . . ?
C31 C30 H30B 109.2 . . ?
N1 B2 C1 102.33(13) . . ?
N1 B2 C13 106.82(13) . . ?
N1 B2 C7 107.59(13) . . ?
C1 B2 C7 112.62(14) . . ?
C13 B2 C1 112.76(14) . . ?
C13 B2 C7 113.74(14) . . ?
C35 C40 H40A 109.3 . . ?
C35 C40 H40B 109.3 . . ?
C35 C40 C39 111.8(2) . . ?
H40A C40 H40B 107.9 . . ?
C39 C40 H40A 109.3 . . ?
C39 C40 H40B 109.3 . . ?
C33 C32 H32A 109.3 . . ?
C33 C32 H32B 109.3 . . ?
H32A C32 H32B 108.0 . . ?
C31 C32 C33 111.5(2) . . ?
C31 C32 H32A 109.3 . . ?
C31 C32 H32B 109.3 . . ?
C36 C37 H37A 109.4 . . ?
C36 C37 H37B 109.4 . . ?
H37A C37 H37B 108.0 . . ?
C38 C37 C36 111.0(2) . . ?
C38 C37 H37A 109.4 . . ?
C38 C37 H37B 109.4 . . ?
C28 B1 C29 117.93(17) . . ?
C28 B1 C35 120.76(18) . . ?
C35 B1 C29 121.30(17) . . ?
C30 C31 H31A 109.3 . . ?
C30 C31 H31B 109.3 . . ?
C32 C31 C30 111.6(2) . . ?
C32 C31 H31A 109.3 . . ?
C32 C31 H31B 109.3 . . ?
H31A C31 H31B 108.0 . . ?
C37 C38 H38A 109.3 . . ?
C37 C38 H38B 109.3 . . ?
C37 C38 C39 111.7(2) . . ?
H38A C38 H38B 107.9 . . ?
C39 C38 H38A 109.3 . . ?
C39 C38 H38B 109.3 . . ?
C40 C39 H39A 109.5 . . ?
C40 C39 H39B 109.5 . . ?
C38 C39 C40 110.7(2) . . ?
C38 C39 H39A 109.5 . . ?
C38 C39 H39B 109.5 . . ?
H39A C39 H39B 108.1 . . ?
C42 C49 H49 121.4 . . ?
C46 C49 H49 121.4 . . ?
C46 C49 C42 117.2(4) . . ?
C42 C43 H43 121.6 . . ?
C42 C43 C44 116.7(4) . . ?
C44 C43 H43 121.6 . . ?
C49 C42 C41 119.8(4) . . ?
C43 C42 C49 121.0(4) . . ?
C43 C42 C41 119.2(4) . . ?
C49 C46 H46 117.8 . . ?
C49 C46 C45 124.5(5) . . ?
C45 C46 H46 117.8 . . ?
C42 C41 H41A 109.5 . . ?
C42 C41 H41B 109.5 . . ?
C42 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C43 C44 H44 118.5 . . ?
C45 C44 C43 122.9(5) . . ?
C45 C44 H44 118.5 . . ?
C46 C45 H45 121.2 . . ?
C44 C45 C46 117.6(6) . . ?
C44 C45 H45 121.2 . . ?

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 P2 C16 C18 -47.60(15) 2_666 . . . ?
Ni1 P2 C16 C19 69.88(14) 2_666 . . . ?
Ni1 P2 C16 C17 -169.31(12) 2_666 . . . ?
Ni1 P2 C15 C14 66.26(14) 2_666 . . . ?
Ni1 P2 C20 C21 -28.52(14) 2_666 . . . ?
Ni1 P1 C26 C27 56.37(16) 2_666 . . . ?
Ni1 P1 C22 C25 80.09(14) 2_666 . . . ?
Ni1 P1 C22 C24 -37.99(15) 2_666 . . . ?
Ni1 P1 C22 C23 -158.74(13) 2_666 . . . ?
Ni1 P1 C21 C20 -31.47(14) 2_666 . . . ?
Ni1 N1 C47 C48 178.6(3) . . . . ?
Ni1 N1 B2 C1 -71.6(3) . . . . ?
Ni1 N1 B2 C13 169.74(18) . . . . ?
Ni1 N1 B2 C7 47.3(3) . . . . ?
P2 Ni1 C47 N1 -173.10(9) 2_666 . . . ?
P2 Ni1 C47 C48 8.9(3) 2_666 . . . ?
P2 C20 C21 P1 38.65(17) . . . . ?
P1 Ni1 C47 N1 11.8(2) 2_666 . . . ?
P1 Ni1 C47 C48 -166.2(2) 2_666 . . . ?
P1 C26 C27 C28 -177.14(14) . . . . ?
N1 Ni1 C47 C48 -178.0(4) . . . . ?
C1 C2 C3 C4 -55.0(3) . . . . ?
C1 C6 C5 C4 57.3(3) . . . . ?
C16 P2 C15 C14 -68.96(14) . . . . ?
C16 P2 C20 C21 99.33(14) . . . . ?
C47 N1 B2 C1 98.6(2) . . . . ?
C47 N1 B2 C13 -20.1(3) . . . . ?
C47 N1 B2 C7 -142.6(2) . . . . ?
C13 C14 C15 P2 -170.61(12) . . . . ?
C26 P1 C22 C25 -55.26(15) . . . . ?
C26 P1 C22 C24 -173.34(13) . . . . ?
C26 P1 C22 C23 65.91(16) . . . . ?
C26 P1 C21 C20 94.97(14) . . . . ?
C26 C27 C28 B1 -174.47(18) . . . . ?
C14 C13 B2 N1 -63.13(19) . . . . ?
C14 C13 B2 C1 -174.77(14) . . . . ?
C14 C13 B2 C7 55.42(19) . . . . ?
C15 P2 C16 C18 85.58(15) . . . . ?
C15 P2 C16 C19 -156.94(13) . . . . ?
C15 P2 C16 C17 -36.13(16) . . . . ?
C15 P2 C20 C21 -149.69(13) . . . . ?
C27 C28 B1 C29 -179.60(18) . . . . ?
C27 C28 B1 C35 -0.6(3) . . . . ?
C8 C7 C12 C11 55.8(2) . . . . ?
C8 C7 B2 N1 159.21(14) . . . . ?
C8 C7 B2 C1 -88.78(18) . . . . ?
C8 C7 B2 C13 41.1(2) . . . . ?
C7 C8 C9 C10 57.5(2) . . . . ?
C7 C12 C11 C10 -56.7(2) . . . . ?
C22 P1 C26 C27 -168.16(14) . . . . ?
C22 P1 C21 C20 -158.36(13) . . . . ?
C12 C7 B2 N1 33.12(19) . . . . ?
C12 C7 B2 C1 145.14(15) . . . . ?
C12 C7 B2 C13 -84.98(18) . . . . ?
C12 C11 C10 C9 55.1(3) . . . . ?
C2 C1 C6 C5 -55.7(2) . . . . ?
C2 C1 B2 N1 165.22(15) . . . . ?
C2 C1 B2 C13 -80.39(19) . . . . ?
C2 C1 B2 C7 50.0(2) . . . . ?
C2 C3 C4 C5 54.3(3) . . . . ?
C20 P2 C16 C18 -168.16(14) . . . . ?
C20 P2 C16 C19 -50.68(15) . . . . ?
C20 P2 C16 C17 70.12(15) . . . . ?
C20 P2 C15 C14 -178.09(13) . . . . ?
C6 C1 C2 C3 54.3(2) . . . . ?
C6 C1 B2 N1 -67.28(18) . . . . ?
C6 C1 B2 C13 47.1(2) . . . . ?
C6 C1 B2 C7 177.50(15) . . . . ?
C6 C5 C4 C3 -55.0(3) . . . . ?
C11 C10 C9 C8 -55.4(2) . . . . ?
C29 C34 C33 C32 -55.1(3) . . . . ?
C29 C30 C31 C32 56.7(3) . . . . ?
C21 P1 C26 C27 -61.02(15) . . . . ?
C21 P1 C22 C25 -162.11(13) . . . . ?
C21 P1 C22 C24 79.81(15) . . . . ?
C21 P1 C22 C23 -40.94(17) . . . . ?
C34 C29 C30 C31 -55.9(3) . . . . ?
C34 C29 B1 C28 -89.3(2) . . . . ?
C34 C29 B1 C35 91.6(2) . . . . ?
C34 C33 C32 C31 53.9(3) . . . . ?
C35 C36 C37 C38 56.2(3) . . . . ?
C35 C40 C39 C38 -56.0(3) . . . . ?
C36 C35 C40 C39 55.2(3) . . . . ?
C36 C35 B1 C29 90.4(2) . . . . ?
C36 C35 B1 C28 -88.6(2) . . . . ?
C36 C37 C38 C39 -56.6(3) . . . . ?
C9 C8 C7 C12 -56.3(2) . . . . ?
C9 C8 C7 B2 173.14(16) . . . . ?
C33 C32 C31 C30 -54.3(3) . . . . ?
C30 C29 C34 C33 55.2(2) . . . . ?
C30 C29 B1 C28 32.1(3) . . . . ?
C30 C29 B1 C35 -147.0(2) . . . . ?
B2 N1 C47 Ni1 -174.9(2) . . . . ?
B2 N1 C47 C48 3.7(4) . . . . ?
B2 C1 C2 C3 -175.07(17) . . . . ?
B2 C1 C6 C5 173.25(17) . . . . ?
B2 C13 C14 C15 169.99(14) . . . . ?
B2 C7 C12 C11 -175.22(16) . . . . ?
C40 C35 C36 C37 -55.2(3) . . . . ?
C40 C35 B1 C29 -30.7(3) . . . . ?
C40 C35 B1 C28 150.3(2) . . . . ?
C37 C38 C39 C40 56.3(3) . . . . ?
B1 C29 C34 C33 -178.06(18) . . . . ?
B1 C29 C30 C31 -176.2(2) . . . . ?
B1 C35 C36 C37 177.85(19) . . . . ?
B1 C35 C40 C39 172.8(2) . . . . ?
C49 C46 C45 C44 0.4(7) . . . . ?
C43 C44 C45 C46 -0.7(7) . . . . ?
C42 C49 C46 C45 0.4(6) . . . . ?
C42 C43 C44 C45 0.2(6) . . . . ?
C46 C49 C42 C43 -0.8(5) . . . . ?
C46 C49 C42 C41 -179.1(4) . . . . ?
C44 C43 C42 C49 0.5(5) . . . . ?
C44 C43 C42 C41 178.8(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
