# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2021

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

data_ni(phpewof)2_4
_database_code_depnum_ccdc_archive 'CCDC 2105912'
loop_
_audit_author_name
_audit_author_address
'Jaime Ponce de Leon'
;Universidad de Valladolid
Spain
;
_audit_update_record             
;
2021-08-27 deposited with the CCDC.	2021-09-22 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT910_ni(phpewof)2_4      
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min).         22 Note
RESPONSE: This refers to the number of reflections placed under the shadow of the detector and are neglected by the program. Adding these reflections means to introduce in the mathematical processing reflections with intensities altered, so it is better to accept the processing made by the program. No action is required.
;
_vrf_PLAT934_ni(phpewof)2_4      
;
PROBLEM: Number of (Iobs-Icalc)/Sigma(W) > 10 Outliers ..          6 Check
RESPONSE: The number of outliers is negligible compared with the total of reflections. Their contribution to the structural data is mathematically insignificant. Eliminating them would not be noted in the distance and angle data provided. No action is required. 
;
# Added during the CSD deposition process: Friday 27 August 2021 11:22 AM
# end Validation Reply Form

_audit_creation_date             2020-03-07
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C54 H34 F8 Ni O2 P2, 0.5(C6 H14)'
_chemical_formula_sum            'C57 H41 F8 Ni O2 P2'
_chemical_formula_weight         1030.55
_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'
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'
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/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   14.2684(4)
_cell_length_b                   16.5014(5)
_cell_length_c                   21.5435(6)
_cell_angle_alpha                90
_cell_angle_beta                 92.706(2)
_cell_angle_gamma                90
_cell_volume                     5066.7(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5843
_cell_measurement_temperature    294
_cell_measurement_theta_max      28.7910
_cell_measurement_theta_min      3.7430
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.517
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.523
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.45g (Rigaku Oxford Diffraction, 2018)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.351
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             2116
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
1 -1 0 0.0430
-1 1 0 0.0430
-5 -5 2 0.0843
5 5 -2 0.0843
1 -1 -5 0.1026
-1 1 5 0.1026
1 1 5 0.1268

_exptl_crystal_size_max          0.267
_exptl_crystal_size_mid          0.182
_exptl_crystal_size_min          0.086
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0288
_diffrn_reflns_av_unetI/netI     0.0542
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.816
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            21823
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.816
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         29.801
_diffrn_reflns_theta_min         3.294
_diffrn_ambient_temperature      294.0
_diffrn_detector_area_resol_mean 10.4757
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.816
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -57.00  30.00   1.00   38.53    --   12.36 -37.00-180.00   87
  2  ω    -20.00  52.00   1.00   38.53    --   12.36 -99.00 -30.00   72
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8118
_reflns_number_total             11837
_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       'CrysAlisPro 1.171.39.45g (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.45g (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.45g (Rigaku OD, 2018)'
_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    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         0.687
_refine_diff_density_min         -0.284
_refine_diff_density_rms         0.076
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     660
_refine_ls_number_reflns         11837
_refine_ls_number_restraints     5
_refine_ls_R_factor_all          0.0880
_refine_ls_R_factor_gt           0.0540
_refine_ls_restrained_S_all      1.083
_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)+(0.0828P)²+1.6955P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1451
_refine_ls_wR_factor_ref         0.1751
_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. Restrained distances
 C0AA-C1AA
 1.55 with sigma of 0.02
 C1AA-C2AA
 1.55 with sigma of 0.02
 C2AA-C3AA
 1.55 with sigma of 0.02
 C3AA-C4AA
 1.55 with sigma of 0.02
 C4AA-C5AA
 1.55 with sigma of 0.02
3. Others
 Fixed Sof: C5AA(0.5) H5AA(0.5) H5AB(0.5) H5AC(0.5) C0AA(0.5) H0AA(0.5)
 H0AB(0.5) H0AC(0.5) C1AA(0.5) H1AA(0.5) H1AB(0.5) C2AA(0.5) H2AA(0.5)
 H2AB(0.5) C3AA(0.5) H3AB(0.5) H3AA(0.5) C4AA(0.5) H4AA(0.5) H4AB(0.5)
4.a Ternary CH refined with riding coordinates:
 C34(H34), C8(H8), C35(H35), C7(H7)
4.b Secondary CH2 refined with riding coordinates:
 C1AA(H1AA,H1AB), C2AA(H2AA,H2AB), C3AA(H3AB,H3AA), C4AA(H4AA,H4AB)
4.c Aromatic/amide H refined with riding coordinates:
 C22(H22), C24(H24), C48(H48), C26(H26), C44(H44), C11(H11), C52(H52),
 C21(H21), C23(H23), C39(H39), C50(H50), C15(H15), C54(H54), C42(H42), C25(H25),
  C38(H38), C19(H19), C51(H51), C47(H47), C40(H40), C20(H20), C17(H17),
 C46(H46), C53(H53), C45(H45), C13(H13), C14(H14), C18(H18), C41(H41), C12(H12)
4.d Idealised Me refined as rotating group:
 C5AA(H5AA,H5AB,H5AC), C0AA(H0AA,H0AB,H0AC)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_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 -0.00642(2) 0.72010(2) 0.24533(2) 0.03126(12) Uani 1 1 d . . . . .
P2 P 0.05970(5) 0.63894(5) 0.32428(3) 0.03443(18) Uani 1 1 d . . . . .
P1 P -0.02278(6) 0.64460(5) 0.15593(3) 0.03577(19) Uani 1 1 d . . . . .
F1 F -0.10342(18) 0.64263(13) 0.01342(9) 0.0670(6) Uani 1 1 d . . . . .
F8 F -0.03746(15) 0.91770(13) 0.39820(10) 0.0663(6) Uani 1 1 d . . . . .
C34 C -0.0602(2) 0.78732(19) 0.31443(13) 0.0360(6) Uani 1 1 d . . . . .
H34 H -0.0794 0.8422 0.3021 0.043 Uiso 1 1 calc R . . . .
F5 F 0.15436(15) 0.64471(13) 0.46081(9) 0.0599(6) Uani 1 1 d . . . . .
C28 C 0.0555(2) 0.71389(19) 0.38700(13) 0.0371(7) Uani 1 1 d . . . . .
F4 F -0.08021(17) 0.94317(12) 0.11301(10) 0.0654(6) Uani 1 1 d . . . . .
F6 F 0.16579(18) 0.77457(16) 0.53509(10) 0.0791(8) Uani 1 1 d . . . . .
C33 C 0.0024(2) 0.78336(19) 0.37151(13) 0.0372(7) Uani 1 1 d . . . . .
C1 C -0.0587(2) 0.72441(19) 0.10076(14) 0.0399(7) Uani 1 1 d . . . . .
C4 C -0.1236(3) 0.8572(2) 0.03123(16) 0.0525(9) Uani 1 1 d . . . . .
O1 O 0.09085(16) 0.90530(14) 0.28417(11) 0.0515(6) Uani 1 1 d . . . . .
F2 F -0.16626(18) 0.76897(15) -0.05135(9) 0.0726(7) Uani 1 1 d . . . . .
C8 C 0.0839(2) 0.80343(18) 0.20666(13) 0.0369(6) Uani 1 1 d . . . . .
H8 H 0.1228 0.7831 0.1738 0.044 Uiso 1 1 calc R . . . .
O2 O -0.22066(16) 0.81059(15) 0.23166(13) 0.0580(6) Uani 1 1 d . . . . .
C16 C 0.0854(2) 0.6033(2) 0.12568(15) 0.0441(7) Uani 1 1 d . . . . .
C35 C -0.1256(2) 0.72659(19) 0.29759(14) 0.0384(7) Uani 1 1 d . . . . .
H35 H -0.1327 0.6832 0.3281 0.046 Uiso 1 1 calc R . . . .
C7 C -0.0118(2) 0.81852(18) 0.18969(13) 0.0365(6) Uani 1 1 d . . . . .
H7 H -0.0373 0.8669 0.2093 0.044 Uiso 1 1 calc R . . . .
F3 F -0.15567(19) 0.92064(15) -0.00177(10) 0.0789(7) Uani 1 1 d . . . . .
C49 C 0.1770(2) 0.59447(19) 0.33287(14) 0.0399(7) Uani 1 1 d . . . . .
C9 C 0.1314(2) 0.85465(19) 0.25431(14) 0.0399(7) Uani 1 1 d . . . . .
C6 C -0.0524(2) 0.80261(19) 0.12614(14) 0.0379(7) Uani 1 1 d . . . . .
C43 C -0.0162(2) 0.55677(19) 0.34798(14) 0.0418(7) Uani 1 1 d . . . . .
C30 C 0.1135(3) 0.7778(2) 0.48097(16) 0.0532(9) Uani 1 1 d . . . . .
C27 C -0.1080(2) 0.56407(19) 0.13918(13) 0.0395(7) Uani 1 1 d . . . . .
C37 C -0.2832(2) 0.6798(2) 0.24972(15) 0.0459(8) Uani 1 1 d . . . . .
C22 C -0.2019(2) 0.5816(2) 0.12653(15) 0.0481(8) Uani 1 1 d . . . . .
H22 H -0.2215 0.6353 0.1239 0.058 Uiso 1 1 calc R . . . .
C36 C -0.2095(2) 0.7450(2) 0.25742(15) 0.0422(7) Uani 1 1 d . . . . .
C10 C 0.2351(2) 0.8431(2) 0.26667(15) 0.0430(7) Uani 1 1 d . . . . .
F7 F 0.07138(19) 0.91219(16) 0.50233(12) 0.0873(8) Uani 1 1 d . . . . .
C3 C -0.1284(3) 0.7806(2) 0.00637(15) 0.0516(9) Uani 1 1 d . . . . .
C2 C -0.0954(3) 0.7160(2) 0.04051(15) 0.0479(8) Uani 1 1 d . . . . .
C32 C 0.0100(2) 0.8490(2) 0.41090(15) 0.0463(8) Uani 1 1 d . . . . .
C24 C -0.2398(3) 0.4402(3) 0.12309(19) 0.0637(10) Uani 1 1 d . . . . .
H24 H -0.2840 0.3991 0.1180 0.076 Uiso 1 1 calc R . . . .
C5 C -0.0853(2) 0.8677(2) 0.09019(15) 0.0450(7) Uani 1 1 d . . . . .
C48 C -0.0435(3) 0.4993(2) 0.30388(18) 0.0617(10) Uani 1 1 d . . . . .
H48 H -0.0200 0.5023 0.2644 0.074 Uiso 1 1 calc R . . . .
C31 C 0.0661(3) 0.8473(2) 0.46506(17) 0.0568(10) Uani 1 1 d . . . . .
C29 C 0.1073(2) 0.7118(2) 0.44285(15) 0.0461(8) Uani 1 1 d . . . . .
C26 C -0.0810(3) 0.4836(2) 0.14370(18) 0.0560(9) Uani 1 1 d . . . . .
H26 H -0.0183 0.4706 0.1519 0.067 Uiso 1 1 calc R . . . .
C44 C -0.0510(3) 0.5502(3) 0.40627(18) 0.0642(10) Uani 1 1 d . . . . .
H44 H -0.0334 0.5875 0.4370 0.077 Uiso 1 1 calc R . . . .
C11 C 0.2946(2) 0.8140(2) 0.22248(17) 0.0554(9) Uani 1 1 d . . . . .
H11 H 0.2703 0.8003 0.1831 0.066 Uiso 1 1 calc R . . . .
C52 C 0.3581(3) 0.5333(3) 0.34267(19) 0.0624(10) Uani 1 1 d . . . . .
H52 H 0.4188 0.5126 0.3454 0.075 Uiso 1 1 calc R . . . .
C21 C 0.1655(3) 0.6026(2) 0.16366(18) 0.0593(10) Uani 1 1 d . . . . .
H21 H 0.1634 0.6224 0.2040 0.071 Uiso 1 1 calc R . . . .
C23 C -0.2665(3) 0.5200(3) 0.11775(17) 0.0583(10) Uani 1 1 d . . . . .
H23 H -0.3290 0.5326 0.1081 0.070 Uiso 1 1 calc R . . . .
C39 C -0.4343(3) 0.6383(3) 0.2064(3) 0.0920(17) Uani 1 1 d . . . . .
H39 H -0.4889 0.6506 0.1829 0.110 Uiso 1 1 calc R . . . .
C50 C 0.2525(2) 0.6404(2) 0.31636(18) 0.0538(9) Uani 1 1 d . . . . .
H50 H 0.2426 0.6928 0.3015 0.065 Uiso 1 1 calc R . . . .
C15 C 0.2730(3) 0.8640(2) 0.32536(18) 0.0586(10) Uani 1 1 d . . . . .
H15 H 0.2347 0.8851 0.3551 0.070 Uiso 1 1 calc R . . . .
C54 C 0.1939(3) 0.5170(2) 0.35498(19) 0.0573(9) Uani 1 1 d . . . . .
H54 H 0.1442 0.4849 0.3667 0.069 Uiso 1 1 calc R . . . .
C42 C -0.2735(3) 0.6019(3) 0.27464(18) 0.0644(11) Uani 1 1 d . . . . .
H42 H -0.2191 0.5886 0.2979 0.077 Uiso 1 1 calc R . . . .
C25 C -0.1472(3) 0.4221(2) 0.1360(2) 0.0692(12) Uani 1 1 d . . . . .
H25 H -0.1285 0.3683 0.1397 0.083 Uiso 1 1 calc R . . . .
C38 C -0.3645(2) 0.6969(3) 0.2145(2) 0.0713(13) Uani 1 1 d . . . . .
H38 H -0.3725 0.7477 0.1962 0.086 Uiso 1 1 calc R . . . .
C19 C 0.2525(4) 0.5435(3) 0.0835(2) 0.0827(14) Uani 1 1 d . . . . .
H19 H 0.3088 0.5242 0.0692 0.099 Uiso 1 1 calc R . . . .
C51 C 0.3422(3) 0.6100(3) 0.3215(2) 0.0664(11) Uani 1 1 d . . . . .
H51 H 0.3923 0.6421 0.3104 0.080 Uiso 1 1 calc R . . . .
C47 C -0.1048(3) 0.4377(3) 0.3172(2) 0.0750(12) Uani 1 1 d . . . . .
H47 H -0.1232 0.4003 0.2867 0.090 Uiso 1 1 calc R . . . .
C40 C -0.4240(3) 0.5641(3) 0.2321(2) 0.0844(15) Uani 1 1 d . . . . .
H40 H -0.4720 0.5262 0.2271 0.101 Uiso 1 1 calc R . . . .
C20 C 0.2492(3) 0.5728(3) 0.1430(2) 0.0793(13) Uani 1 1 d . . . . .
H20 H 0.3029 0.5727 0.1693 0.095 Uiso 1 1 calc R . . . .
C17 C 0.0899(3) 0.5712(3) 0.06602(19) 0.0702(11) Uani 1 1 d . . . . .
H17 H 0.0360 0.5690 0.0401 0.084 Uiso 1 1 calc R . . . .
C46 C -0.1384(3) 0.4321(3) 0.3751(3) 0.0807(14) Uani 1 1 d . . . . .
H46 H -0.1790 0.3902 0.3845 0.097 Uiso 1 1 calc R . . . .
C53 C 0.2845(3) 0.4870(3) 0.3598(2) 0.0683(11) Uani 1 1 d . . . . .
H53 H 0.2953 0.4349 0.3749 0.082 Uiso 1 1 calc R . . . .
C45 C -0.1125(4) 0.4880(3) 0.4193(2) 0.0883(15) Uani 1 1 d . . . . .
H45 H -0.1363 0.4844 0.4586 0.106 Uiso 1 1 calc R . . . .
C13 C 0.4251(3) 0.8243(3) 0.2949(2) 0.0783(14) Uani 1 1 d . . . . .
H13 H 0.4888 0.8175 0.3045 0.094 Uiso 1 1 calc R . . . .
C14 C 0.3681(3) 0.8531(3) 0.3392(2) 0.0746(13) Uani 1 1 d . . . . .
H14 H 0.3932 0.8654 0.3787 0.090 Uiso 1 1 calc R . . . .
C18 C 0.1734(4) 0.5427(3) 0.0452(2) 0.0824(14) Uani 1 1 d . . . . .
H18 H 0.1760 0.5228 0.0049 0.099 Uiso 1 1 calc R . . . .
C41 C -0.3429(3) 0.5440(3) 0.2656(2) 0.0780(13) Uani 1 1 d . . . . .
H41 H -0.3348 0.4922 0.2819 0.094 Uiso 1 1 calc R . . . .
C12 C 0.3893(3) 0.8054(3) 0.2365(2) 0.0705(11) Uani 1 1 d . . . . .
H12 H 0.4287 0.7867 0.2065 0.085 Uiso 1 1 calc R . . . .
C5AA C 0.0670(8) 0.8363(9) -0.0892(5) 0.108(4) Uani 0.5 1 d D . P . .
H5AA H 0.1059 0.8394 -0.1243 0.162 Uiso 0.5 1 calc GR . P . .
H5AB H 0.0243 0.8813 -0.0901 0.162 Uiso 0.5 1 calc GR . P . .
H5AC H 0.0321 0.7865 -0.0909 0.162 Uiso 0.5 1 calc GR . P . .
C0AA C 0.4182(11) 0.7775(15) 0.0689(6) 0.205(12) Uani 0.5 1 d D . P . .
H0AA H 0.4795 0.7566 0.0618 0.308 Uiso 0.5 1 calc GR . P . .
H0AB H 0.3972 0.7566 0.1075 0.308 Uiso 0.5 1 calc GR . P . .
H0AC H 0.4205 0.8356 0.0708 0.308 Uiso 0.5 1 calc GR . P . .
C1AA C 0.3577(10) 0.7543(12) 0.0219(8) 0.169(8) Uani 0.5 1 d D . P . .
H1AA H 0.3502 0.6960 0.0242 0.203 Uiso 0.5 1 calc R . P . .
H1AB H 0.3864 0.7661 -0.0170 0.203 Uiso 0.5 1 calc R . P . .
C2AA C 0.2666(12) 0.7899(12) 0.0195(7) 0.162(8) Uani 0.5 1 d D . P . .
H2AA H 0.2742 0.8454 0.0337 0.195 Uiso 0.5 1 calc R . P . .
H2AB H 0.2308 0.7620 0.0502 0.195 Uiso 0.5 1 calc R . P . .
C3AA C 0.2071(14) 0.7927(12) -0.0381(9) 0.263(17) Uani 0.5 1 d D . P . .
H3AB H 0.2439 0.8150 -0.0708 0.316 Uiso 0.5 1 calc R . P . .
H3AA H 0.1908 0.7375 -0.0499 0.316 Uiso 0.5 1 calc R . P . .
C4AA C 0.1219(10) 0.8388(14) -0.0357(7) 0.182(9) Uani 0.5 1 d D . P . .
H4AA H 0.0859 0.8184 -0.0019 0.218 Uiso 0.5 1 calc R . P . .
H4AB H 0.1378 0.8948 -0.0264 0.218 Uiso 0.5 1 calc R . P . .


_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 2.3292(8) . ?
Ni1 P1 2.2963(8) . ?
Ni1 C34 2.035(3) . ?
Ni1 C8 2.085(3) . ?
Ni1 C35 2.086(3) . ?
Ni1 C7 2.018(3) . ?
P2 C28 1.835(3) . ?
P2 C49 1.828(3) . ?
P2 C43 1.823(3) . ?
P1 C1 1.831(3) . ?
P1 C16 1.834(3) . ?
P1 C27 1.825(3) . ?
F1 C2 1.347(4) . ?
F8 C32 1.342(4) . ?
C34 H34 0.9800 . ?
C34 C33 1.487(4) . ?
C34 C35 1.405(4) . ?
F5 C29 1.342(4) . ?
C28 C33 1.405(4) . ?
C28 C29 1.383(4) . ?
F4 C5 1.340(4) . ?
F6 C30 1.355(4) . ?
C33 C32 1.377(4) . ?
C1 C6 1.403(4) . ?
C1 C2 1.384(4) . ?
C4 F3 1.334(4) . ?
C4 C3 1.373(5) . ?
C4 C5 1.370(5) . ?
O1 C9 1.218(4) . ?
F2 C3 1.346(4) . ?
C8 H8 0.9800 . ?
C8 C7 1.419(4) . ?
C8 C9 1.470(4) . ?
O2 C36 1.224(4) . ?
C16 C21 1.374(5) . ?
C16 C17 1.395(5) . ?
C35 H35 0.9800 . ?
C35 C36 1.476(4) . ?
C7 H7 0.9800 . ?
C7 C6 1.485(4) . ?
C49 C50 1.378(5) . ?
C49 C54 1.381(5) . ?
C9 C10 1.502(4) . ?
C6 C5 1.392(4) . ?
C43 C48 1.385(5) . ?
C43 C44 1.377(5) . ?
C30 C31 1.367(5) . ?
C30 C29 1.365(5) . ?
C27 C22 1.386(4) . ?
C27 C26 1.384(5) . ?
C37 C36 1.507(5) . ?
C37 C42 1.398(5) . ?
C37 C38 1.385(5) . ?
C22 H22 0.9300 . ?
C22 C23 1.380(5) . ?
C10 C11 1.391(5) . ?
C10 C15 1.395(5) . ?
F7 C31 1.339(4) . ?
C3 C2 1.366(5) . ?
C32 C31 1.384(5) . ?
C24 H24 0.9300 . ?
C24 C23 1.373(6) . ?
C24 C25 1.371(6) . ?
C48 H48 0.9300 . ?
C48 C47 1.380(6) . ?
C26 H26 0.9300 . ?
C26 C25 1.390(5) . ?
C44 H44 0.9300 . ?
C44 C45 1.387(6) . ?
C11 H11 0.9300 . ?
C11 C12 1.377(5) . ?
C52 H52 0.9300 . ?
C52 C51 1.361(6) . ?
C52 C53 1.363(6) . ?
C21 H21 0.9300 . ?
C21 C20 1.384(5) . ?
C23 H23 0.9300 . ?
C39 H39 0.9300 . ?
C39 C38 1.393(6) . ?
C39 C40 1.350(7) . ?
C50 H50 0.9300 . ?
C50 C51 1.374(5) . ?
C15 H15 0.9300 . ?
C15 C14 1.387(6) . ?
C54 H54 0.9300 . ?
C54 C53 1.384(5) . ?
C42 H42 0.9300 . ?
C42 C41 1.382(6) . ?
C25 H25 0.9300 . ?
C38 H38 0.9300 . ?
C19 H19 0.9300 . ?
C19 C20 1.373(6) . ?
C19 C18 1.367(7) . ?
C51 H51 0.9300 . ?
C47 H47 0.9300 . ?
C47 C46 1.361(7) . ?
C40 H40 0.9300 . ?
C40 C41 1.375(7) . ?
C20 H20 0.9300 . ?
C17 H17 0.9300 . ?
C17 C18 1.376(6) . ?
C46 H46 0.9300 . ?
C46 C45 1.365(7) . ?
C53 H53 0.9300 . ?
C45 H45 0.9300 . ?
C13 H13 0.9300 . ?
C13 C14 1.368(7) . ?
C13 C12 1.372(6) . ?
C14 H14 0.9300 . ?
C18 H18 0.9300 . ?
C41 H41 0.9300 . ?
C12 H12 0.9300 . ?
C5AA H5AA 0.9600 . ?
C5AA H5AB 0.9600 . ?
C5AA H5AC 0.9600 . ?
C5AA C4AA 1.364(13) . ?
C0AA H0AA 0.9600 . ?
C0AA H0AB 0.9600 . ?
C0AA H0AC 0.9600 . ?
C0AA C1AA 1.354(15) . ?
C1AA H1AA 0.9700 . ?
C1AA H1AB 0.9700 . ?
C1AA C2AA 1.424(14) . ?
C2AA H2AA 0.9700 . ?
C2AA H2AB 0.9700 . ?
C2AA C3AA 1.471(16) . ?
C3AA H3AB 0.9700 . ?
C3AA H3AA 0.9700 . ?
C3AA C4AA 1.438(16) . ?
C4AA H4AA 0.9700 . ?
C4AA H4AB 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
P1 Ni1 P2 108.79(3) . . ?
C34 Ni1 P2 86.15(9) . . ?
C34 Ni1 P1 151.91(8) . . ?
C34 Ni1 C8 101.19(12) . . ?
C34 Ni1 C35 39.85(12) . . ?
C8 Ni1 P2 115.74(8) . . ?
C8 Ni1 P1 93.61(9) . . ?
C8 Ni1 C35 135.79(12) . . ?
C35 Ni1 P2 87.01(9) . . ?
C35 Ni1 P1 115.31(9) . . ?
C7 Ni1 P2 154.06(9) . . ?
C7 Ni1 P1 86.50(9) . . ?
C7 Ni1 C34 89.47(12) . . ?
C7 Ni1 C8 40.42(11) . . ?
C7 Ni1 C35 105.68(12) . . ?
C28 P2 Ni1 97.12(10) . . ?
C49 P2 Ni1 129.93(11) . . ?
C49 P2 C28 104.93(14) . . ?
C43 P2 Ni1 114.01(10) . . ?
C43 P2 C28 104.75(14) . . ?
C43 P2 C49 103.05(15) . . ?
C1 P1 Ni1 99.70(10) . . ?
C1 P1 C16 104.52(15) . . ?
C16 P1 Ni1 116.46(11) . . ?
C27 P1 Ni1 126.95(10) . . ?
C27 P1 C1 103.41(14) . . ?
C27 P1 C16 102.88(15) . . ?
Ni1 C34 H34 114.5 . . ?
C33 C34 Ni1 110.40(19) . . ?
C33 C34 H34 114.5 . . ?
C35 C34 Ni1 72.00(17) . . ?
C35 C34 H34 114.5 . . ?
C35 C34 C33 123.2(3) . . ?
C33 C28 P2 114.3(2) . . ?
C29 C28 P2 126.1(2) . . ?
C29 C28 C33 119.2(3) . . ?
C28 C33 C34 121.9(3) . . ?
C32 C33 C34 120.1(3) . . ?
C32 C33 C28 118.0(3) . . ?
C6 C1 P1 113.4(2) . . ?
C2 C1 P1 128.2(2) . . ?
C2 C1 C6 118.2(3) . . ?
F3 C4 C3 120.3(3) . . ?
F3 C4 C5 120.5(3) . . ?
C5 C4 C3 119.2(3) . . ?
Ni1 C8 H8 116.4 . . ?
C7 C8 Ni1 67.24(16) . . ?
C7 C8 H8 116.4 . . ?
C7 C8 C9 119.0(3) . . ?
C9 C8 Ni1 111.9(2) . . ?
C9 C8 H8 116.4 . . ?
C21 C16 P1 118.8(3) . . ?
C21 C16 C17 118.1(3) . . ?
C17 C16 P1 123.0(3) . . ?
Ni1 C35 H35 115.9 . . ?
C34 C35 Ni1 68.14(16) . . ?
C34 C35 H35 115.9 . . ?
C34 C35 C36 121.0(3) . . ?
C36 C35 Ni1 110.7(2) . . ?
C36 C35 H35 115.9 . . ?
Ni1 C7 H7 113.8 . . ?
C8 C7 Ni1 72.34(17) . . ?
C8 C7 H7 113.8 . . ?
C8 C7 C6 122.4(3) . . ?
C6 C7 Ni1 114.1(2) . . ?
C6 C7 H7 113.8 . . ?
C50 C49 P2 118.4(2) . . ?
C50 C49 C54 118.1(3) . . ?
C54 C49 P2 123.4(3) . . ?
O1 C9 C8 123.3(3) . . ?
O1 C9 C10 118.8(3) . . ?
C8 C9 C10 117.9(3) . . ?
C1 C6 C7 122.5(3) . . ?
C5 C6 C1 118.6(3) . . ?
C5 C6 C7 118.9(3) . . ?
C48 C43 P2 118.0(3) . . ?
C44 C43 P2 124.0(3) . . ?
C44 C43 C48 118.0(3) . . ?
F6 C30 C31 119.6(3) . . ?
F6 C30 C29 120.3(3) . . ?
C29 C30 C31 120.1(3) . . ?
C22 C27 P1 121.0(3) . . ?
C26 C27 P1 120.3(2) . . ?
C26 C27 C22 118.5(3) . . ?
C42 C37 C36 123.9(3) . . ?
C38 C37 C36 118.5(3) . . ?
C38 C37 C42 117.6(3) . . ?
C27 C22 H22 119.8 . . ?
C23 C22 C27 120.4(3) . . ?
C23 C22 H22 119.8 . . ?
O2 C36 C35 122.2(3) . . ?
O2 C36 C37 120.4(3) . . ?
C35 C36 C37 117.4(3) . . ?
C11 C10 C9 123.4(3) . . ?
C11 C10 C15 118.8(3) . . ?
C15 C10 C9 117.8(3) . . ?
F2 C3 C4 120.1(3) . . ?
F2 C3 C2 119.9(3) . . ?
C2 C3 C4 119.9(3) . . ?
F1 C2 C1 121.2(3) . . ?
F1 C2 C3 116.7(3) . . ?
C3 C2 C1 122.1(3) . . ?
F8 C32 C33 121.0(3) . . ?
F8 C32 C31 117.1(3) . . ?
C33 C32 C31 121.9(3) . . ?
C23 C24 H24 120.4 . . ?
C25 C24 H24 120.4 . . ?
C25 C24 C23 119.1(4) . . ?
F4 C5 C4 118.0(3) . . ?
F4 C5 C6 120.1(3) . . ?
C4 C5 C6 121.9(3) . . ?
C43 C48 H48 119.2 . . ?
C47 C48 C43 121.5(4) . . ?
C47 C48 H48 119.2 . . ?
C30 C31 C32 119.2(3) . . ?
F7 C31 C30 120.5(3) . . ?
F7 C31 C32 120.2(3) . . ?
F5 C29 C28 120.8(3) . . ?
F5 C29 C30 117.9(3) . . ?
C30 C29 C28 121.3(3) . . ?
C27 C26 H26 119.8 . . ?
C27 C26 C25 120.5(3) . . ?
C25 C26 H26 119.8 . . ?
C43 C44 H44 119.9 . . ?
C43 C44 C45 120.1(4) . . ?
C45 C44 H44 119.9 . . ?
C10 C11 H11 119.7 . . ?
C12 C11 C10 120.7(4) . . ?
C12 C11 H11 119.7 . . ?
C51 C52 H52 120.2 . . ?
C51 C52 C53 119.5(4) . . ?
C53 C52 H52 120.2 . . ?
C16 C21 H21 119.4 . . ?
C16 C21 C20 121.2(4) . . ?
C20 C21 H21 119.4 . . ?
C22 C23 H23 119.5 . . ?
C24 C23 C22 120.9(3) . . ?
C24 C23 H23 119.5 . . ?
C38 C39 H39 119.5 . . ?
C40 C39 H39 119.5 . . ?
C40 C39 C38 121.0(4) . . ?
C49 C50 H50 119.5 . . ?
C51 C50 C49 121.0(4) . . ?
C51 C50 H50 119.5 . . ?
C10 C15 H15 120.1 . . ?
C14 C15 C10 119.8(4) . . ?
C14 C15 H15 120.1 . . ?
C49 C54 H54 119.8 . . ?
C49 C54 C53 120.3(4) . . ?
C53 C54 H54 119.8 . . ?
C37 C42 H42 119.2 . . ?
C41 C42 C37 121.6(4) . . ?
C41 C42 H42 119.2 . . ?
C24 C25 C26 120.5(4) . . ?
C24 C25 H25 119.7 . . ?
C26 C25 H25 119.7 . . ?
C37 C38 C39 120.2(4) . . ?
C37 C38 H38 119.9 . . ?
C39 C38 H38 119.9 . . ?
C20 C19 H19 119.9 . . ?
C18 C19 H19 119.9 . . ?
C18 C19 C20 120.3(4) . . ?
C52 C51 C50 120.4(4) . . ?
C52 C51 H51 119.8 . . ?
C50 C51 H51 119.8 . . ?
C48 C47 H47 120.2 . . ?
C46 C47 C48 119.7(4) . . ?
C46 C47 H47 120.2 . . ?
C39 C40 H40 119.8 . . ?
C39 C40 C41 120.4(4) . . ?
C41 C40 H40 119.8 . . ?
C21 C20 H20 120.2 . . ?
C19 C20 C21 119.5(4) . . ?
C19 C20 H20 120.2 . . ?
C16 C17 H17 119.7 . . ?
C18 C17 C16 120.6(4) . . ?
C18 C17 H17 119.7 . . ?
C47 C46 H46 120.1 . . ?
C47 C46 C45 119.9(4) . . ?
C45 C46 H46 120.1 . . ?
C52 C53 C54 120.5(4) . . ?
C52 C53 H53 119.7 . . ?
C54 C53 H53 119.7 . . ?
C44 C45 H45 119.6 . . ?
C46 C45 C44 120.8(4) . . ?
C46 C45 H45 119.6 . . ?
C14 C13 H13 119.6 . . ?
C14 C13 C12 120.7(4) . . ?
C12 C13 H13 119.6 . . ?
C15 C14 H14 119.9 . . ?
C13 C14 C15 120.2(4) . . ?
C13 C14 H14 119.9 . . ?
C19 C18 C17 120.2(4) . . ?
C19 C18 H18 119.9 . . ?
C17 C18 H18 119.9 . . ?
C42 C41 H41 120.4 . . ?
C40 C41 C42 119.2(5) . . ?
C40 C41 H41 120.4 . . ?
C11 C12 H12 120.1 . . ?
C13 C12 C11 119.8(4) . . ?
C13 C12 H12 120.1 . . ?
H5AA C5AA H5AB 109.5 . . ?
H5AA C5AA H5AC 109.5 . . ?
H5AB C5AA H5AC 109.5 . . ?
C4AA C5AA H5AA 109.5 . . ?
C4AA C5AA H5AB 109.5 . . ?
C4AA C5AA H5AC 109.5 . . ?
H0AA C0AA H0AB 109.5 . . ?
H0AA C0AA H0AC 109.5 . . ?
H0AB C0AA H0AC 109.5 . . ?
C1AA C0AA H0AA 109.5 . . ?
C1AA C0AA H0AB 109.5 . . ?
C1AA C0AA H0AC 109.5 . . ?
C0AA C1AA H1AA 108.0 . . ?
C0AA C1AA H1AB 108.0 . . ?
C0AA C1AA C2AA 117.3(16) . . ?
H1AA C1AA H1AB 107.2 . . ?
C2AA C1AA H1AA 108.0 . . ?
C2AA C1AA H1AB 108.0 . . ?
C1AA C2AA H2AA 106.8 . . ?
C1AA C2AA H2AB 106.8 . . ?
C1AA C2AA C3AA 122.2(14) . . ?
H2AA C2AA H2AB 106.6 . . ?
C3AA C2AA H2AA 106.8 . . ?
C3AA C2AA H2AB 106.8 . . ?
C2AA C3AA H3AB 108.2 . . ?
C2AA C3AA H3AA 108.2 . . ?
H3AB C3AA H3AA 107.4 . . ?
C4AA C3AA C2AA 116.2(13) . . ?
C4AA C3AA H3AB 108.2 . . ?
C4AA C3AA H3AA 108.2 . . ?
C5AA C4AA C3AA 114.0(16) . . ?
C5AA C4AA H4AA 108.8 . . ?
C5AA C4AA H4AB 108.8 . . ?
C3AA C4AA H4AA 108.8 . . ?
C3AA C4AA H4AB 108.8 . . ?
H4AA C4AA H4AB 107.7 . . ?

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 C28 C33 10.8(2) . . . . ?
Ni1 P2 C28 C29 -161.1(3) . . . . ?
Ni1 P2 C49 C50 40.1(3) . . . . ?
Ni1 P2 C49 C54 -139.8(3) . . . . ?
Ni1 P2 C43 C48 61.2(3) . . . . ?
Ni1 P2 C43 C44 -116.0(3) . . . . ?
Ni1 P1 C1 C6 8.2(2) . . . . ?
Ni1 P1 C1 C2 -167.5(3) . . . . ?
Ni1 P1 C16 C21 14.9(3) . . . . ?
Ni1 P1 C16 C17 -166.2(3) . . . . ?
Ni1 P1 C27 C22 73.1(3) . . . . ?
Ni1 P1 C27 C26 -101.8(3) . . . . ?
Ni1 C34 C33 C28 -32.4(4) . . . . ?
Ni1 C34 C33 C32 147.4(3) . . . . ?
Ni1 C34 C35 C36 -101.8(3) . . . . ?
Ni1 C8 C7 C6 -107.7(3) . . . . ?
Ni1 C8 C9 O1 -68.7(4) . . . . ?
Ni1 C8 C9 C10 110.9(3) . . . . ?
Ni1 C35 C36 O2 -68.0(4) . . . . ?
Ni1 C35 C36 C37 112.9(3) . . . . ?
Ni1 C7 C6 C1 -19.0(4) . . . . ?
Ni1 C7 C6 C5 161.1(2) . . . . ?
P2 C28 C33 C34 12.0(4) . . . . ?
P2 C28 C33 C32 -167.8(3) . . . . ?
P2 C28 C29 F5 -12.4(5) . . . . ?
P2 C28 C29 C30 166.6(3) . . . . ?
P2 C49 C50 C51 -179.6(3) . . . . ?
P2 C49 C54 C53 179.5(3) . . . . ?
P2 C43 C48 C47 -176.5(3) . . . . ?
P2 C43 C44 C45 176.5(4) . . . . ?
P1 C1 C6 C7 5.5(4) . . . . ?
P1 C1 C6 C5 -174.6(2) . . . . ?
P1 C1 C2 F1 -4.5(5) . . . . ?
P1 C1 C2 C3 173.1(3) . . . . ?
P1 C16 C21 C20 -179.4(4) . . . . ?
P1 C16 C17 C18 178.5(4) . . . . ?
P1 C27 C22 C23 -176.0(3) . . . . ?
P1 C27 C26 C25 174.6(3) . . . . ?
F8 C32 C31 C30 178.0(3) . . . . ?
F8 C32 C31 F7 0.0(5) . . . . ?
C34 C33 C32 F8 -1.0(5) . . . . ?
C34 C33 C32 C31 178.8(3) . . . . ?
C34 C35 C36 O2 8.3(5) . . . . ?
C34 C35 C36 C37 -170.8(3) . . . . ?
C28 P2 C49 C50 -72.9(3) . . . . ?
C28 P2 C49 C54 107.2(3) . . . . ?
C28 P2 C43 C48 166.1(3) . . . . ?
C28 P2 C43 C44 -11.1(4) . . . . ?
C28 C33 C32 F8 178.8(3) . . . . ?
C28 C33 C32 C31 -1.4(5) . . . . ?
F6 C30 C31 F7 0.4(6) . . . . ?
F6 C30 C31 C32 -177.6(3) . . . . ?
F6 C30 C29 F5 0.0(5) . . . . ?
F6 C30 C29 C28 -179.1(3) . . . . ?
C33 C34 C35 Ni1 -103.0(3) . . . . ?
C33 C34 C35 C36 155.2(3) . . . . ?
C33 C28 C29 F5 176.1(3) . . . . ?
C33 C28 C29 C30 -4.9(5) . . . . ?
C33 C32 C31 C30 -1.8(6) . . . . ?
C33 C32 C31 F7 -179.8(3) . . . . ?
C1 P1 C16 C21 123.8(3) . . . . ?
C1 P1 C16 C17 -57.4(4) . . . . ?
C1 P1 C27 C22 -40.3(3) . . . . ?
C1 P1 C27 C26 144.9(3) . . . . ?
C1 C6 C5 F4 -179.9(3) . . . . ?
C1 C6 C5 C4 0.2(5) . . . . ?
C4 C3 C2 F1 179.2(3) . . . . ?
C4 C3 C2 C1 1.5(6) . . . . ?
O1 C9 C10 C11 -153.4(3) . . . . ?
O1 C9 C10 C15 25.7(4) . . . . ?
F2 C3 C2 F1 -0.1(5) . . . . ?
F2 C3 C2 C1 -177.9(3) . . . . ?
C8 C7 C6 C1 64.6(4) . . . . ?
C8 C7 C6 C5 -115.2(3) . . . . ?
C8 C9 C10 C11 26.9(5) . . . . ?
C8 C9 C10 C15 -154.0(3) . . . . ?
C16 P1 C1 C6 -112.5(2) . . . . ?
C16 P1 C1 C2 71.8(3) . . . . ?
C16 P1 C27 C22 -148.9(3) . . . . ?
C16 P1 C27 C26 36.3(3) . . . . ?
C16 C21 C20 C19 0.0(7) . . . . ?
C16 C17 C18 C19 1.9(8) . . . . ?
C35 C34 C33 C28 49.0(4) . . . . ?
C35 C34 C33 C32 -131.2(3) . . . . ?
C7 C8 C9 O1 6.6(5) . . . . ?
C7 C8 C9 C10 -173.8(3) . . . . ?
C7 C6 C5 F4 -0.1(5) . . . . ?
C7 C6 C5 C4 -179.9(3) . . . . ?
F3 C4 C3 F2 -0.6(6) . . . . ?
F3 C4 C3 C2 -180.0(3) . . . . ?
F3 C4 C5 F4 -0.7(5) . . . . ?
F3 C4 C5 C6 179.1(3) . . . . ?
C49 P2 C28 C33 145.5(2) . . . . ?
C49 P2 C28 C29 -26.5(3) . . . . ?
C49 P2 C43 C48 -84.4(3) . . . . ?
C49 P2 C43 C44 98.4(3) . . . . ?
C49 C50 C51 C52 0.5(6) . . . . ?
C49 C54 C53 C52 -0.2(6) . . . . ?
C9 C8 C7 Ni1 -103.3(3) . . . . ?
C9 C8 C7 C6 148.9(3) . . . . ?
C9 C10 C11 C12 179.5(3) . . . . ?
C9 C10 C15 C14 179.0(3) . . . . ?
C6 C1 C2 F1 180.0(3) . . . . ?
C6 C1 C2 C3 -2.4(5) . . . . ?
C43 P2 C28 C33 -106.4(2) . . . . ?
C43 P2 C28 C29 81.7(3) . . . . ?
C43 P2 C49 C50 177.7(3) . . . . ?
C43 P2 C49 C54 -2.2(3) . . . . ?
C43 C48 C47 C46 -1.1(7) . . . . ?
C43 C44 C45 C46 0.7(8) . . . . ?
C27 P1 C1 C6 140.1(2) . . . . ?
C27 P1 C1 C2 -35.6(3) . . . . ?
C27 P1 C16 C21 -128.5(3) . . . . ?
C27 P1 C16 C17 50.4(4) . . . . ?
C27 C22 C23 C24 1.9(5) . . . . ?
C27 C26 C25 C24 0.9(6) . . . . ?
C37 C42 C41 C40 -1.1(7) . . . . ?
C22 C27 C26 C25 -0.4(5) . . . . ?
C36 C37 C42 C41 -179.2(4) . . . . ?
C36 C37 C38 C39 -179.9(4) . . . . ?
C10 C11 C12 C13 1.1(6) . . . . ?
C10 C15 C14 C13 1.9(6) . . . . ?
C3 C4 C5 F4 179.0(3) . . . . ?
C3 C4 C5 C6 -1.1(6) . . . . ?
C2 C1 C6 C7 -178.4(3) . . . . ?
C2 C1 C6 C5 1.5(5) . . . . ?
C5 C4 C3 F2 179.6(3) . . . . ?
C5 C4 C3 C2 0.3(6) . . . . ?
C48 C43 C44 C45 -0.7(6) . . . . ?
C48 C47 C46 C45 1.1(7) . . . . ?
C31 C30 C29 F5 -179.3(3) . . . . ?
C31 C30 C29 C28 1.6(6) . . . . ?
C29 C28 C33 C34 -175.5(3) . . . . ?
C29 C28 C33 C32 4.7(5) . . . . ?
C29 C30 C31 F7 179.7(4) . . . . ?
C29 C30 C31 C32 1.8(6) . . . . ?
C26 C27 C22 C23 -1.0(5) . . . . ?
C44 C43 C48 C47 0.9(6) . . . . ?
C11 C10 C15 C14 -1.9(5) . . . . ?
C21 C16 C17 C18 -2.7(6) . . . . ?
C23 C24 C25 C26 0.0(7) . . . . ?
C39 C40 C41 C42 2.5(7) . . . . ?
C50 C49 C54 C53 -0.4(5) . . . . ?
C15 C10 C11 C12 0.5(6) . . . . ?
C54 C49 C50 C51 0.3(5) . . . . ?
C42 C37 C36 O2 176.2(4) . . . . ?
C42 C37 C36 C35 -4.7(5) . . . . ?
C42 C37 C38 C39 1.9(6) . . . . ?
C25 C24 C23 C22 -1.4(6) . . . . ?
C38 C37 C36 O2 -1.9(5) . . . . ?
C38 C37 C36 C35 177.2(3) . . . . ?
C38 C37 C42 C41 -1.1(6) . . . . ?
C38 C39 C40 C41 -1.7(8) . . . . ?
C51 C52 C53 C54 0.9(7) . . . . ?
C47 C46 C45 C44 -0.9(8) . . . . ?
C40 C39 C38 C37 -0.5(8) . . . . ?
C20 C19 C18 C17 -0.1(8) . . . . ?
C17 C16 C21 C20 1.7(6) . . . . ?
C53 C52 C51 C50 -1.1(6) . . . . ?
C14 C13 C12 C11 -1.1(7) . . . . ?
C18 C19 C20 C21 -0.9(8) . . . . ?
C12 C13 C14 C15 -0.4(7) . . . . ?
C0AA C1AA C2AA C3AA 159(2) . . . . ?
C1AA C2AA C3AA C4AA -172.8(19) . . . . ?
C2AA C3AA C4AA C5AA -177.0(17) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Toluene/n-hexane'
