#------------------------------------------------------------------------------
#$Date: 2021-06-20 03:49:49 +0300 (Sun, 20 Jun 2021) $
#$Revision: 266584 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/35/1563594.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_1563594
loop_
_publ_author_name
'Min, Sehye'
'Choi, Jonghoon'
'Yoo, Changho'
'Graham, Peter M.'
'Lee, Yunho'
_publ_section_title
;
 Ni(0)-Promoted Activation of Csp2--H and Csp2--O Bonds
;
_journal_name_full               'Chemical Science'
_journal_paper_doi               10.1039/D1SC02210E
_journal_year                    2021
_chemical_formula_moiety         'C39 H51 N Ni P2'
_chemical_formula_sum            'C39 H51 N Ni P2'
_chemical_formula_weight         654.46
_chemical_properties_physical
Air-sensitive,Moisture-sensitive,Oxygen-sensitive
_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   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2019-11-28 deposited with the CCDC.	2021-06-17 downloaded from the CCDC.
;
_cell_angle_alpha                109.18(3)
_cell_angle_beta                 106.05(3)
_cell_angle_gamma                91.67(3)
_cell_formula_units_Z            2
_cell_length_a                   11.323(2)
_cell_length_b                   11.661(2)
_cell_length_c                   14.412(3)
_cell_measurement_reflns_used    26325
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      37.677
_cell_measurement_theta_min      1.546
_cell_volume                     1712.1(7)
_computing_cell_refinement       HKL3000
_computing_data_collection       'PAL ADSC Quantum-210 ADX Program'
_computing_data_reduction        HKL3000
_computing_molecular_graphics    ORTEP3
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.946
_diffrn_measured_fraction_theta_max 0.737
_diffrn_measurement_device_type  'ADSC Q210 CCD area detector'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_type           Synchrotron
_diffrn_radiation_wavelength     0.700
_diffrn_reflns_av_R_equivalents  0.0494
_diffrn_reflns_av_unetI/netI     0.0806
_diffrn_reflns_Laue_measured_fraction_full 0.946
_diffrn_reflns_Laue_measured_fraction_max 0.737
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            26325
_diffrn_reflns_point_group_measured_fraction_full 0.946
_diffrn_reflns_point_group_measured_fraction_max 0.737
_diffrn_reflns_theta_full        24.835
_diffrn_reflns_theta_max         37.677
_diffrn_reflns_theta_min         1.546
_diffrn_source                   'PLSII 2D bending magnet'
_exptl_absorpt_coefficient_mu    0.685
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.8155
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'HKL3000 Scalepack'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.270
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             700
_exptl_crystal_size_max          0.044
_exptl_crystal_size_mid          0.035
_exptl_crystal_size_min          0.018
_refine_diff_density_max         1.134
_refine_diff_density_min         -1.260
_refine_diff_density_rms         0.110
_refine_ls_extinction_coef       0.037(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     412
_refine_ls_number_reflns         14063
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.1225
_refine_ls_R_factor_gt           0.0670
_refine_ls_shift/su_max          0.051
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1199P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1831
_refine_ls_wR_factor_ref         0.2155
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7851
_reflns_number_total             14063
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1sc02210e2.cif
_cod_data_source_block           P0827-1
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_crystal_density_meas' value 'not measured' was
changed to '?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 
;
_cod_database_code               1563594
_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_min   0.970
_shelx_estimated_absorpt_t_max   0.988
_shelxl_version_number           2013-4
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
C1 C 0.47059(19) 0.7035(2) 0.85902(18) 0.0255(4) Uani 1 1 d . . . . .
C2 C 0.40653(19) 0.7234(2) 0.93305(19) 0.0269(4) Uani 1 1 d . . . . .
C3 C 0.4548(2) 0.7007(2) 1.02408(19) 0.0286(5) Uani 1 1 d . . . . .
H3 H 0.4097 0.7158 1.0726 0.034 Uiso 1 1 calc R U . . .
C4 C 0.5680(2) 0.6565(2) 1.04533(19) 0.0284(5) Uani 1 1 d . . . . .
C5 C 0.6289(2) 0.6326(2) 0.9698(2) 0.0296(5) Uani 1 1 d . . . . .
H5 H 0.7054 0.6003 0.9823 0.035 Uiso 1 1 calc R U . . .
C6 C 0.58400(19) 0.6535(2) 0.87792(19) 0.0269(4) Uani 1 1 d . . . . .
C7 C 0.6546(2) 0.6206(2) 0.7989(2) 0.0296(5) Uani 1 1 d . . . . .
C8 C 0.5908(2) 0.6571(2) 0.7067(2) 0.0291(5) Uani 1 1 d . . . . .
C9 C 0.6405(2) 0.6330(2) 0.6246(2) 0.0326(5) Uani 1 1 d . . . . .
H9 H 0.7124 0.5926 0.6281 0.039 Uiso 1 1 calc R U . . .
C10 C 0.5907(2) 0.6650(2) 0.5381(2) 0.0342(5) Uani 1 1 d . . . . .
C11 C 0.4854(2) 0.7242(2) 0.5343(2) 0.0336(5) Uani 1 1 d . . . . .
H11 H 0.4492 0.7471 0.4763 0.040 Uiso 1 1 calc R U . . .
C12 C 0.4322(2) 0.7503(2) 0.6142(2) 0.0300(5) Uani 1 1 d . . . . .
C13 C 0.4820(2) 0.7143(2) 0.70049(19) 0.0282(5) Uani 1 1 d . . . . .
C14 C 0.6202(2) 0.6307(2) 1.1432(2) 0.0334(5) Uani 1 1 d . . . . .
H14A H 0.5812 0.6762 1.1946 0.050 Uiso 1 1 calc R U . . .
H14B H 0.7099 0.6565 1.1696 0.050 Uiso 1 1 calc R U . . .
H14C H 0.6035 0.5428 1.1293 0.050 Uiso 1 1 calc R U . . .
C15 C 0.6488(3) 0.6340(3) 0.4518(2) 0.0416(6) Uani 1 1 d . . . . .
H15A H 0.6280 0.5462 0.4114 0.062 Uiso 1 1 calc R U . . .
H15B H 0.7391 0.6546 0.4809 0.062 Uiso 1 1 calc R U . . .
H15C H 0.6171 0.6810 0.4071 0.062 Uiso 1 1 calc R U . . .
C16 C 0.6606(2) 0.4815(2) 0.7636(2) 0.0370(6) Uani 1 1 d . . . . .
H16A H 0.5763 0.4373 0.7343 0.056 Uiso 1 1 calc R U . . .
H16B H 0.7054 0.4597 0.8228 0.056 Uiso 1 1 calc R U . . .
H16C H 0.7038 0.4589 0.7112 0.056 Uiso 1 1 calc R U . . .
C17 C 0.7895(2) 0.6870(3) 0.8486(2) 0.0372(6) Uani 1 1 d . . . . .
H17A H 0.8340 0.6658 0.7970 0.056 Uiso 1 1 calc R U . . .
H17B H 0.8315 0.6613 0.9063 0.056 Uiso 1 1 calc R U . . .
H17C H 0.7882 0.7757 0.8738 0.056 Uiso 1 1 calc R U . . .
C18 C 0.1361(2) 0.6591(2) 0.8655(2) 0.0353(5) Uani 1 1 d . . . . .
H18 H 0.0561 0.6936 0.8499 0.042 Uiso 1 1 calc R U . . .
C19 C 0.1394(2) 0.6110(3) 0.9524(2) 0.0402(6) Uani 1 1 d . . . . .
H19A H 0.0653 0.5520 0.9321 0.060 Uiso 1 1 calc R U . . .
H19B H 0.1414 0.6793 1.0147 0.060 Uiso 1 1 calc R U . . .
H19C H 0.2136 0.5705 0.9662 0.060 Uiso 1 1 calc R U . . .
C20 C 0.1361(3) 0.5559(3) 0.7662(2) 0.0433(7) Uani 1 1 d . . . . .
H20A H 0.2170 0.5261 0.7761 0.065 Uiso 1 1 calc R U . . .
H20B H 0.1198 0.5873 0.7092 0.065 Uiso 1 1 calc R U . . .
H20C H 0.0714 0.4885 0.7501 0.065 Uiso 1 1 calc R U . . .
C21 C 0.2554(2) 0.9003(2) 1.01697(19) 0.0300(5) Uani 1 1 d . . . . .
H21 H 0.2781 0.8650 1.0731 0.036 Uiso 1 1 calc R U . . .
C22 C 0.1262(2) 0.9385(3) 1.0095(2) 0.0355(6) Uani 1 1 d . . . . .
H22A H 0.1281 1.0020 1.0746 0.053 Uiso 1 1 calc R U . . .
H22B H 0.0674 0.8673 0.9959 0.053 Uiso 1 1 calc R U . . .
H22C H 0.1003 0.9708 0.9532 0.053 Uiso 1 1 calc R U . . .
C23 C 0.3521(2) 1.0108(2) 1.0461(2) 0.0367(6) Uani 1 1 d . . . . .
H23A H 0.3311 1.0484 0.9930 0.055 Uiso 1 1 calc R U . . .
H23B H 0.4342 0.9839 1.0514 0.055 Uiso 1 1 calc R U . . .
H23C H 0.3531 1.0708 1.1125 0.055 Uiso 1 1 calc R U . . .
C24 C 0.1809(3) 0.7547(3) 0.4954(2) 0.0474(7) Uani 1 1 d . . . . .
H24 H 0.2219 0.7488 0.4411 0.057 Uiso 1 1 calc R U . . .
C25 C 0.0713(3) 0.8292(5) 0.4778(3) 0.0781(14) Uani 1 1 d . . . . .
H25A H 0.0094 0.7840 0.4114 0.117 Uiso 1 1 calc R U . . .
H25B H 0.1016 0.9086 0.4775 0.117 Uiso 1 1 calc R U . . .
H25C H 0.0334 0.8421 0.5332 0.117 Uiso 1 1 calc R U . . .
C26 C 0.1390(3) 0.6274(4) 0.4851(3) 0.0678(11) Uani 1 1 d . . . . .
H26A H 0.0870 0.6302 0.5298 0.102 Uiso 1 1 calc R U . . .
H26B H 0.2114 0.5870 0.5054 0.102 Uiso 1 1 calc R U . . .
H26C H 0.0910 0.5814 0.4133 0.102 Uiso 1 1 calc R U . . .
C27 C 0.3427(3) 0.9876(3) 0.6337(3) 0.0580(9) Uani 1 1 d . . . . .
H27A H 0.2692 1.0320 0.6385 0.070 Uiso 0.823(7) 1 calc R U P A 1
H27B H 0.3934 0.9710 0.5850 0.070 Uiso 0.177(7) 1 calc R U P A 2
C28 C 0.4461(3) 1.0494(3) 0.7350(3) 0.0650(11) Uani 1 1 d . . . . .
H28A H 0.5153 1.0007 0.7376 0.098 Uiso 1 1 calc R U . . .
H28B H 0.4145 1.0554 0.7930 0.098 Uiso 1 1 calc R U . . .
H28C H 0.4749 1.1316 0.7395 0.098 Uiso 1 1 calc R U . . .
C30 C 0.1283(2) 0.8967(3) 0.7516(2) 0.0376(6) Uani 1 1 d . . . . .
C31 C 0.0063(2) 0.8250(3) 0.7085(2) 0.0408(6) Uani 1 1 d . . . . .
H31 H 0.0008 0.7383 0.6860 0.049 Uiso 1 1 calc R U . . .
C32 C -0.1020(2) 0.8778(3) 0.6987(2) 0.0410(6) Uani 1 1 d . . . . .
H32 H -0.1801 0.8277 0.6701 0.049 Uiso 1 1 calc R U . . .
C33 C -0.0961(3) 1.0049(3) 0.7311(2) 0.0395(6) Uani 1 1 d . . . . .
C34 C -0.2081(3) 1.0636(3) 0.7215(2) 0.0452(7) Uani 1 1 d . . . . .
H34 H -0.2869 1.0149 0.6933 0.054 Uiso 1 1 calc R U . . .
C35 C -0.2010(3) 1.1866(3) 0.7523(2) 0.0468(7) Uani 1 1 d . . . . .
H35 H -0.2748 1.2241 0.7453 0.056 Uiso 1 1 calc R U . . .
C36 C -0.0841(3) 1.2603(3) 0.7952(2) 0.0443(7) Uani 1 1 d . . . . .
H36 H -0.0803 1.3469 0.8168 0.053 Uiso 1 1 calc R U . . .
C37 C 0.0244(3) 1.2079(3) 0.8059(2) 0.0410(6) Uani 1 1 d . . . . .
H37 H 0.1023 1.2583 0.8346 0.049 Uiso 1 1 calc R U . . .
C38 C 0.0193(2) 1.0800(3) 0.7742(2) 0.0376(6) Uani 1 1 d . . . . .
C39 C 0.1300(2) 1.0208(3) 0.7832(2) 0.0378(6) Uani 1 1 d . . . . .
H39 H 0.2081 1.0709 0.8126 0.045 Uiso 1 1 calc R U . . .
C29A C 0.3802(5) 1.0031(4) 0.5494(4) 0.0609(13) Uani 0.823(7) 1 d . . P A 1
H29A H 0.3950 1.0906 0.5610 0.091 Uiso 0.823(7) 1 calc R U P A 1
H29B H 0.3143 0.9627 0.4843 0.091 Uiso 0.823(7) 1 calc R U P A 1
H29C H 0.4564 0.9665 0.5461 0.091 Uiso 0.823(7) 1 calc R U P A 1
C29B C 0.2356(15) 1.0490(14) 0.5757(13) 0.041(4) Uani 0.177(7) 1 d . . P A 2
H29D H 0.1604 1.0382 0.5946 0.061 Uiso 0.177(7) 1 calc R U P A 2
H29E H 0.2180 1.0099 0.5010 0.061 Uiso 0.177(7) 1 calc R U P A 2
H29F H 0.2630 1.1367 0.5960 0.061 Uiso 0.177(7) 1 calc R U P A 2
N1 N 0.41992(17) 0.73695(18) 0.77438(16) 0.0276(4) Uani 1 1 d . . . . .
Ni1 Ni 0.27275(3) 0.81678(3) 0.76160(2) 0.02946(11) Uani 1 1 d . . . . .
P1 P 0.26194(5) 0.78287(6) 0.89770(5) 0.02748(14) Uani 1 1 d . . . . .
P2 P 0.29817(6) 0.82973(6) 0.62190(5) 0.03191(15) Uani 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 0.0034 0.0017 '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'
N N 0.0066 0.0034 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1041 0.0961 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3437 1.1214 '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
N1 C1 C2 117.53(18) . . ?
N1 C1 C6 124.6(2) . . ?
C2 C1 C6 117.9(2) . . ?
C3 C2 C1 121.60(19) . . ?
C3 C2 P1 125.11(17) . . ?
C1 C2 P1 113.28(18) . . ?
C2 C3 C4 121.0(2) . . ?
C3 C4 C5 117.0(2) . . ?
C3 C4 C14 121.3(2) . . ?
C5 C4 C14 121.7(2) . . ?
C6 C5 C4 123.8(2) . . ?
C5 C6 C1 118.5(2) . . ?
C5 C6 C7 120.00(19) . . ?
C1 C6 C7 121.5(2) . . ?
C6 C7 C8 110.47(17) . . ?
C6 C7 C16 108.8(2) . . ?
C8 C7 C16 110.2(2) . . ?
C6 C7 C17 110.1(2) . . ?
C8 C7 C17 109.5(2) . . ?
C16 C7 C17 107.85(19) . . ?
C9 C8 C13 118.2(2) . . ?
C9 C8 C7 119.4(2) . . ?
C13 C8 C7 122.4(2) . . ?
C10 C9 C8 123.7(2) . . ?
C11 C10 C9 117.4(2) . . ?
C11 C10 C15 122.1(3) . . ?
C9 C10 C15 120.5(2) . . ?
C10 C11 C12 121.1(3) . . ?
C11 C12 C13 120.8(2) . . ?
C11 C12 P2 126.3(2) . . ?
C13 C12 P2 112.94(17) . . ?
N1 C13 C8 123.7(2) . . ?
N1 C13 C12 117.69(19) . . ?
C8 C13 C12 118.6(2) . . ?
C19 C18 C20 111.7(2) . . ?
C19 C18 P1 114.39(18) . . ?
C20 C18 P1 109.04(19) . . ?
C22 C21 C23 111.2(2) . . ?
C22 C21 P1 112.74(18) . . ?
C23 C21 P1 109.46(16) . . ?
C26 C24 C25 112.2(3) . . ?
C26 C24 P2 109.2(2) . . ?
C25 C24 P2 112.3(2) . . ?
C29A C27 C28 109.4(3) . . ?
C28 C27 C29B 128.0(7) . . ?
C29A C27 P2 116.5(3) . . ?
C28 C27 P2 109.0(2) . . ?
C29B C27 P2 115.4(6) . . ?
C39 C30 C31 115.8(2) . . ?
C39 C30 Ni1 124.1(2) . . ?
C31 C30 Ni1 120.1(2) . . ?
C32 C31 C30 122.8(3) . . ?
C31 C32 C33 119.6(3) . . ?
C32 C33 C38 120.6(2) . . ?
C32 C33 C34 121.2(3) . . ?
C38 C33 C34 118.2(3) . . ?
C35 C34 C33 120.5(3) . . ?
C34 C35 C36 120.3(2) . . ?
C37 C36 C35 120.9(3) . . ?
C36 C37 C38 119.8(3) . . ?
C37 C38 C33 120.2(2) . . ?
C37 C38 C39 121.9(3) . . ?
C33 C38 C39 117.8(2) . . ?
C30 C39 C38 123.4(3) . . ?
C1 N1 C13 117.18(18) . . ?
C1 N1 Ni1 121.34(15) . . ?
C13 N1 Ni1 121.45(16) . . ?
C30 Ni1 N1 178.98(10) . . ?
C30 Ni1 P1 92.84(9) . . ?
N1 Ni1 P1 86.31(7) . . ?
C30 Ni1 P2 94.42(9) . . ?
N1 Ni1 P2 86.46(7) . . ?
P1 Ni1 P2 172.10(2) . . ?
C2 P1 C21 105.19(11) . . ?
C2 P1 C18 107.15(11) . . ?
C21 P1 C18 105.82(12) . . ?
C2 P1 Ni1 100.83(8) . . ?
C21 P1 Ni1 125.21(9) . . ?
C18 P1 Ni1 111.21(10) . . ?
C12 P2 C27 106.86(14) . . ?
C12 P2 C24 104.97(13) . . ?
C27 P2 C24 107.90(17) . . ?
C12 P2 Ni1 101.30(9) . . ?
C27 P2 Ni1 112.82(14) . . ?
C24 P2 Ni1 121.56(11) . . ?
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
C1 N1 1.381(3) . ?
C1 C2 1.412(3) . ?
C1 C6 1.420(3) . ?
C2 C3 1.389(3) . ?
C2 P1 1.805(2) . ?
C3 C4 1.389(3) . ?
C4 C5 1.402(3) . ?
C4 C14 1.502(4) . ?
C5 C6 1.384(4) . ?
C6 C7 1.523(3) . ?
C7 C8 1.525(4) . ?
C7 C16 1.543(3) . ?
C7 C17 1.551(3) . ?
C8 C9 1.398(3) . ?
C8 C13 1.413(3) . ?
C9 C10 1.393(4) . ?
C10 C11 1.391(3) . ?
C10 C15 1.511(4) . ?
C11 C12 1.396(3) . ?
C12 C13 1.418(4) . ?
C12 P2 1.811(2) . ?
C13 N1 1.392(3) . ?
C18 C19 1.524(4) . ?
C18 C20 1.538(4) . ?
C18 P1 1.845(3) . ?
C21 C22 1.527(3) . ?
C21 C23 1.531(4) . ?
C21 P1 1.834(2) . ?
C24 C26 1.492(5) . ?
C24 C25 1.547(4) . ?
C24 P2 1.844(3) . ?
C27 C29A 1.454(6) . ?
C27 C28 1.528(5) . ?
C27 C29B 1.602(14) . ?
C27 P2 1.834(3) . ?
C30 C39 1.366(4) . ?
C30 C31 1.452(4) . ?
C30 Ni1 1.900(2) . ?
C31 C32 1.381(3) . ?
C32 C33 1.394(4) . ?
C33 C38 1.410(4) . ?
C33 C34 1.453(4) . ?
C34 C35 1.348(4) . ?
C35 C36 1.416(4) . ?
C36 C37 1.381(3) . ?
C37 C38 1.403(4) . ?
C38 C39 1.444(3) . ?
N1 Ni1 1.9262(18) . ?
Ni1 P1 2.1581(8) . ?
Ni1 P2 2.1627(9) . ?
