#------------------------------------------------------------------------------
#$Date: 2023-05-05 05:08:48 +0300 (Fri, 05 May 2023) $
#$Revision: 283290 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/19/7711933.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7711933
loop_
_publ_author_name
'Sarker, Rajib K.'
'Mangin, Loïc P'
'Zargarian, Davit'
_publ_section_title
;
 Reactivities of cyclonickellated complexes with hydroxylamines: formation
 of κO-hydroxylamine and κN-imine
 adducts and a κO, κN-aminoxide
 derivative.
;
_journal_issue                   2
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              366
_journal_page_last               375
_journal_paper_doi               10.1039/d2dt02979k
_journal_volume                  52
_journal_year                    2023
_chemical_formula_moiety         'C19 H27 Br0.266 Cl0.734 N Ni O2 P'
_chemical_formula_sum            'C19 H27 Br0.26 Cl0.74 N Ni O2 P'
_chemical_formula_weight         438.33
_chemical_name_systematic        '[{\kP,\kC-(i-Pr)2PO-C6H4}{NH2OBn}Ni(Cl/Br)]'
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_date             2022-08-10
_audit_creation_method
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_audit_update_record
;
2022-08-10 deposited with the CCDC.	2022-11-30 downloaded from the CCDC.
;
_cell_angle_alpha                108.3090(10)
_cell_angle_beta                 99.2590(10)
_cell_angle_gamma                99.2440(10)
_cell_formula_units_Z            2
_cell_length_a                   9.2167(3)
_cell_length_b                   10.7893(3)
_cell_length_c                   11.1469(3)
_cell_measurement_reflns_used    9424
_cell_measurement_temperature    100
_cell_measurement_theta_max      71.877
_cell_measurement_theta_min      4.977
_cell_volume                     1011.92(5)
_computing_cell_refinement
;
SAINT (2017) V8.38A; Integration Software for Single Crystal Data.
Bruker AXS Inc., Madison, WI 53719-1173.
;
_computing_data_collection
;
APEX 3 (2019) Bruker AXS Inc., Madison, WI 53719-1173.
;
_computing_data_reduction
;
SAINT (2017) V8.38A; Integration Software for Single Crystal Data.
Bruker AXS Inc., Madison, WI 53719-1173.
;
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'XT  (Sheldrick, 2015)'
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean 8.3
_diffrn_detector_type            'Bruker APEX2 CCD'
_diffrn_measured_fraction_theta_full 0.974
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker Smart APEX'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0217
_diffrn_reflns_av_unetI/netI     0.0089
_diffrn_reflns_Laue_measured_fraction_full 0.974
_diffrn_reflns_Laue_measured_fraction_max 0.966
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            41853
_diffrn_reflns_point_group_measured_fraction_full 0.974
_diffrn_reflns_point_group_measured_fraction_max 0.966
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         72.028
_diffrn_reflns_theta_min         4.977
_exptl_absorpt_coefficient_mu    3.728
_exptl_absorpt_correction_T_max  0.7740
_exptl_absorpt_correction_T_min  0.5804
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0935 before and 0.0330 after correction.
The Ratio of minimum to maximum transmission is 0.7499.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.439
_exptl_crystal_description       block
_exptl_crystal_F_000             458
_exptl_crystal_size_max          0.224
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.065
_refine_diff_density_max         0.392
_refine_diff_density_min         -0.201
_refine_diff_density_rms         0.049
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     247
_refine_ls_number_reflns         3861
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.063
_refine_ls_R_factor_all          0.0237
_refine_ls_R_factor_gt           0.0236
_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)+(0.0374P)²+0.4625P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0639
_refine_ls_wR_factor_ref         0.0640
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3836
_reflns_number_total             3861
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt02979k2.cif
_cod_data_source_block           rajib1
_cod_depositor_comments
'Adding full bibliography for 7711929--7711939.cif.'
_cod_database_code               7711933
_shelx_shelxl_version_number     2018/3
_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.
;
_shelx_estimated_absorpt_t_max   0.794
_shelx_estimated_absorpt_t_min   0.489
_olex2_refinement_description
;
1. Restrained distances
 Cl1-Ni1
 2.22 with sigma of 0.005
 Ni1-Br1
 2.35 with sigma of 0.005
2. Others
 Sof(Br1)=1-FVAR(1)
 Sof(Cl1)=FVAR(1)
3.a Ternary CH refined with riding coordinates:
 C7(H7), C10(H10)
3.b Secondary CH2 refined with riding coordinates:
 C13(H13A,H13B)
3.c Aromatic/amide H refined with riding coordinates:
 C6(H6), C5(H5), C4(H4), C3(H3), C15(H15), C16(H16), C17(H17), C18(H18),
 C19(H19)
3.d Idealised Me refined as rotating group:
 C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C11(H11A,H11B,H11C), C12(H12A,H12B,H12C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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 0.70681(2) 0.58892(2) 0.89141(2) 0.01410(8) Uani 1 1 d D . . . .
P1 P 0.69460(4) 0.75998(3) 0.84151(3) 0.01478(9) Uani 1 1 d . . . . .
O1 O 0.51485(10) 0.75826(9) 0.79867(9) 0.0196(2) Uani 1 1 d . . . . .
O2 O 0.68872(11) 0.30066(9) 0.82138(9) 0.01846(19) Uani 1 1 d . . . . .
N1 N 0.71644(14) 0.42431(11) 0.93160(10) 0.0165(2) Uani 1 1 d . . . . .
H1A H 0.807(2) 0.4334(17) 0.9785(16) 0.020 Uiso 1 1 d . U . . .
C2 C 0.49398(15) 0.54290(13) 0.82281(12) 0.0156(2) Uani 1 1 d . . . . .
C1 C 0.42389(15) 0.63702(13) 0.78743(12) 0.0170(3) Uani 1 1 d . . . . .
C6 C 0.27035(15) 0.61751(14) 0.74090(13) 0.0209(3) Uani 1 1 d . . . . .
H6 H 0.229698 0.685035 0.718810 0.025 Uiso 1 1 calc R U . . .
C5 C 0.17699(16) 0.49682(15) 0.72724(13) 0.0226(3) Uani 1 1 d . . . . .
H5 H 0.071094 0.481116 0.696160 0.027 Uiso 1 1 calc R U . . .
C4 C 0.23952(16) 0.39911(14) 0.75934(13) 0.0209(3) Uani 1 1 d . . . . .
H4 H 0.175961 0.316397 0.749665 0.025 Uiso 1 1 calc R U . . .
C3 C 0.39482(15) 0.42176(13) 0.80561(12) 0.0179(3) Uani 1 1 d . . . . .
H3 H 0.434979 0.353274 0.826185 0.021 Uiso 1 1 calc R U . . .
C7 C 0.76090(16) 0.76940(14) 0.69760(13) 0.0212(3) Uani 1 1 d . . . . .
H7 H 0.720703 0.840980 0.673119 0.025 Uiso 1 1 calc R U . . .
C8 C 0.6934(2) 0.63690(16) 0.58497(15) 0.0351(4) Uani 1 1 d . . . . .
H8A H 0.740472 0.566658 0.600977 0.053 Uiso 1 1 calc R U . . .
H8B H 0.711963 0.647190 0.504122 0.053 Uiso 1 1 calc R U . . .
H8C H 0.584425 0.612010 0.577703 0.053 Uiso 1 1 calc R U . . .
C9 C 0.93265(19) 0.8082(2) 0.72287(17) 0.0385(4) Uani 1 1 d . . . . .
H9A H 0.969398 0.899308 0.786323 0.058 Uiso 1 1 calc R U . . .
H9B H 0.962673 0.804640 0.641625 0.058 Uiso 1 1 calc R U . . .
H9C H 0.976151 0.745558 0.756884 0.058 Uiso 1 1 calc R U . . .
C10 C 0.76644(16) 0.92380(13) 0.96903(13) 0.0202(3) Uani 1 1 d . . . . .
H10 H 0.879144 0.941646 0.988950 0.024 Uiso 1 1 calc R U . . .
C11 C 0.7200(2) 1.03724(14) 0.92860(16) 0.0311(3) Uani 1 1 d . . . . .
H11A H 0.760824 1.041614 0.853727 0.047 Uiso 1 1 calc R U . . .
H11B H 0.759724 1.122482 1.000883 0.047 Uiso 1 1 calc R U . . .
H11C H 0.609672 1.020352 0.905262 0.047 Uiso 1 1 calc R U . . .
C12 C 0.71461(18) 0.91746(15) 1.09138(14) 0.0279(3) Uani 1 1 d . . . . .
H12A H 0.604367 0.888946 1.071401 0.042 Uiso 1 1 calc R U . . .
H12B H 0.746917 1.006269 1.159342 0.042 Uiso 1 1 calc R U . . .
H12C H 0.759423 0.853107 1.121596 0.042 Uiso 1 1 calc R U . . .
C13 C 0.78242(17) 0.32652(14) 0.73628(13) 0.0237(3) Uani 1 1 d . . . . .
H13A H 0.890256 0.350363 0.780963 0.028 Uiso 1 1 calc R U . . .
H13B H 0.759099 0.401906 0.709926 0.028 Uiso 1 1 calc R U . . .
C14 C 0.75033(17) 0.20120(14) 0.61956(13) 0.0221(3) Uani 1 1 d . . . . .
C15 C 0.6375(2) 0.18105(18) 0.51259(16) 0.0389(4) Uani 1 1 d . . . . .
H15 H 0.582327 0.248168 0.512380 0.047 Uiso 1 1 calc R U . . .
C16 C 0.6043(3) 0.0640(2) 0.40585(17) 0.0518(5) Uani 1 1 d . . . . .
H16 H 0.526371 0.050935 0.333052 0.062 Uiso 1 1 calc R U . . .
C17 C 0.6847(3) -0.03358(17) 0.40539(15) 0.0420(4) Uani 1 1 d . . . . .
H17 H 0.660211 -0.115000 0.333315 0.050 Uiso 1 1 calc R U . . .
C18 C 0.8006(2) -0.01279(16) 0.50959(17) 0.0343(4) Uani 1 1 d . . . . .
H18 H 0.858090 -0.078683 0.507960 0.041 Uiso 1 1 calc R U . . .
C19 C 0.83360(18) 0.10441(15) 0.61715(15) 0.0268(3) Uani 1 1 d . . . . .
H19 H 0.913181 0.118204 0.688991 0.032 Uiso 1 1 calc R U . . .
Cl1 Cl 0.9528(4) 0.6682(7) 0.9759(7) 0.0213(5) Uani 0.7345(16) 1 d D . P A 1
Br1 Br 0.9641(5) 0.6835(8) 0.9867(8) 0.0195(6) Uani 0.2655(16) 1 d D . P A 2
H1B H 0.649(2) 0.4046(17) 0.9740(17) 0.021(4) Uiso 1 1 d . . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Br Br -0.6763 1.2805 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni -3.0029 0.5091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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 Cl1 90.4(2) . . ?
P1 Ni1 Br1 88.4(2) . . ?
N1 Ni1 P1 177.94(3) . . ?
N1 Ni1 Cl1 90.4(2) . . ?
N1 Ni1 Br1 92.5(2) . . ?
C2 Ni1 P1 83.28(4) . . ?
C2 Ni1 N1 95.97(5) . . ?
C2 Ni1 Cl1 173.0(2) . . ?
C2 Ni1 Br1 170.2(2) . . ?
O1 P1 Ni1 107.25(4) . . ?
O1 P1 C7 101.38(6) . . ?
O1 P1 C10 102.19(6) . . ?
C7 P1 Ni1 117.96(5) . . ?
C10 P1 Ni1 118.04(5) . . ?
C10 P1 C7 107.49(6) . . ?
C1 O1 P1 111.19(8) . . ?
C13 O2 N1 106.96(9) . . ?
Ni1 N1 H1A 109.5(11) . . ?
Ni1 N1 H1B 113.5(11) . . ?
O2 N1 Ni1 116.49(7) . . ?
O2 N1 H1A 106.3(11) . . ?
O2 N1 H1B 102.1(11) . . ?
H1A N1 H1B 108.5(15) . . ?
C1 C2 Ni1 119.19(10) . . ?
C3 C2 Ni1 126.17(10) . . ?
C3 C2 C1 114.62(12) . . ?
O1 C1 C2 118.11(11) . . ?
C6 C1 O1 117.20(11) . . ?
C6 C1 C2 124.69(12) . . ?
C1 C6 H6 120.8 . . ?
C1 C6 C5 118.46(12) . . ?
C5 C6 H6 120.8 . . ?
C6 C5 H5 120.2 . . ?
C6 C5 C4 119.63(13) . . ?
C4 C5 H5 120.2 . . ?
C5 C4 H4 119.8 . . ?
C5 C4 C3 120.48(12) . . ?
C3 C4 H4 119.8 . . ?
C2 C3 H3 119.0 . . ?
C4 C3 C2 122.09(12) . . ?
C4 C3 H3 119.0 . . ?
P1 C7 H7 107.4 . . ?
C8 C7 P1 109.19(10) . . ?
C8 C7 H7 107.4 . . ?
C9 C7 P1 112.59(10) . . ?
C9 C7 H7 107.4 . . ?
C9 C7 C8 112.46(13) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
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 . . ?
P1 C10 H10 107.8 . . ?
C11 C10 P1 112.79(10) . . ?
C11 C10 H10 107.8 . . ?
C11 C10 C12 112.04(12) . . ?
C12 C10 P1 108.38(9) . . ?
C12 C10 H10 107.8 . . ?
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 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
O2 C13 H13A 110.2 . . ?
O2 C13 H13B 110.2 . . ?
O2 C13 C14 107.48(11) . . ?
H13A C13 H13B 108.5 . . ?
C14 C13 H13A 110.2 . . ?
C14 C13 H13B 110.2 . . ?
C15 C14 C13 120.28(13) . . ?
C15 C14 C19 119.18(14) . . ?
C19 C14 C13 120.54(14) . . ?
C14 C15 H15 119.7 . . ?
C14 C15 C16 120.68(15) . . ?
C16 C15 H15 119.7 . . ?
C15 C16 H16 120.0 . . ?
C17 C16 C15 119.90(17) . . ?
C17 C16 H16 120.0 . . ?
C16 C17 H17 120.0 . . ?
C18 C17 C16 119.94(15) . . ?
C18 C17 H17 120.0 . . ?
C17 C18 H18 119.9 . . ?
C17 C18 C19 120.19(14) . . ?
C19 C18 H18 119.9 . . ?
C14 C19 C18 120.05(15) . . ?
C14 C19 H19 120.0 . . ?
C18 C19 H19 120.0 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ni1 P1 2.1024(4) . ?
Ni1 N1 1.9750(11) . ?
Ni1 C2 1.9091(13) . ?
Ni1 Cl1 2.223(3) . ?
Ni1 Br1 2.350(4) . ?
P1 O1 1.6440(9) . ?
P1 C7 1.8316(13) . ?
P1 C10 1.8237(13) . ?
O1 C1 1.3930(16) . ?
O2 N1 1.4540(13) . ?
O2 C13 1.4408(16) . ?
N1 H1A 0.882(18) . ?
N1 H1B 0.879(19) . ?
C2 C1 1.4087(18) . ?
C2 C3 1.4082(18) . ?
C1 C6 1.3840(19) . ?
C6 H6 0.9500 . ?
C6 C5 1.390(2) . ?
C5 H5 0.9500 . ?
C5 C4 1.392(2) . ?
C4 H4 0.9500 . ?
C4 C3 1.395(2) . ?
C3 H3 0.9500 . ?
C7 H7 1.0000 . ?
C7 C8 1.530(2) . ?
C7 C9 1.526(2) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10 1.0000 . ?
C10 C11 1.529(2) . ?
C10 C12 1.5332(19) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 C14 1.5003(19) . ?
C14 C15 1.384(2) . ?
C14 C19 1.388(2) . ?
C15 H15 0.9500 . ?
C15 C16 1.385(2) . ?
C16 H16 0.9500 . ?
C16 C17 1.381(3) . ?
C17 H17 0.9500 . ?
C17 C18 1.378(3) . ?
C18 H18 0.9500 . ?
C18 C19 1.391(2) . ?
C19 H19 0.9500 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ni1 P1 O1 C1 -9.45(9) . . . . ?
Ni1 P1 C7 C8 47.68(12) . . . . ?
Ni1 P1 C7 C9 -77.98(12) . . . . ?
Ni1 P1 C10 C11 -167.19(9) . . . . ?
Ni1 P1 C10 C12 -42.54(11) . . . . ?
Ni1 C2 C1 O1 2.90(15) . . . . ?
Ni1 C2 C1 C6 -177.69(10) . . . . ?
Ni1 C2 C3 C4 177.40(9) . . . . ?
P1 O1 C1 C2 4.95(14) . . . . ?
P1 O1 C1 C6 -174.50(9) . . . . ?
O1 P1 C7 C8 -69.03(11) . . . . ?
O1 P1 C7 C9 165.32(11) . . . . ?
O1 P1 C10 C11 -49.88(11) . . . . ?
O1 P1 C10 C12 74.77(10) . . . . ?
O1 C1 C6 C5 179.27(11) . . . . ?
O2 C13 C14 C15 89.80(17) . . . . ?
O2 C13 C14 C19 -90.50(16) . . . . ?
N1 O2 C13 C14 -177.81(10) . . . . ?
C2 C1 C6 C5 -0.1(2) . . . . ?
C1 C2 C3 C4 -1.09(18) . . . . ?
C1 C6 C5 C4 -0.5(2) . . . . ?
C6 C5 C4 C3 0.3(2) . . . . ?
C5 C4 C3 C2 0.53(19) . . . . ?
C3 C2 C1 O1 -178.50(11) . . . . ?
C3 C2 C1 C6 0.91(18) . . . . ?
C7 P1 O1 C1 114.83(9) . . . . ?
C7 P1 C10 C11 56.37(12) . . . . ?
C7 P1 C10 C12 -178.98(10) . . . . ?
C10 P1 O1 C1 -134.25(9) . . . . ?
C10 P1 C7 C8 -175.84(10) . . . . ?
C10 P1 C7 C9 58.51(13) . . . . ?
C13 O2 N1 Ni1 49.30(12) . . . . ?
C13 C14 C15 C16 -178.21(18) . . . . ?
C13 C14 C19 C18 178.54(13) . . . . ?
C14 C15 C16 C17 -0.3(3) . . . . ?
C15 C14 C19 C18 -1.8(2) . . . . ?
C15 C16 C17 C18 -1.8(3) . . . . ?
C16 C17 C18 C19 2.1(3) . . . . ?
C17 C18 C19 C14 -0.3(2) . . . . ?
C19 C14 C15 C16 2.1(3) . . . . ?
