#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:20:30 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179838 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/34/7013459.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_7013459
loop_
_publ_author_name
'Claudio Bianchini'
'Luca Gonsalvi'
'Werner Oberhauser'
'David Sémeril'
'Peter Brüggeller'
'Rene Gutmann'
_publ_section_title
;
 Schulz--Flory oligomerisation of ethylene by the binuclear nickel(II)
 complex
 Ni2Cl4[cis,trans,cis-1,2,3,4-tetrakis-(diphenylphosphino)cyclobutane]
;
_journal_issue                   20
_journal_name_full               'Dalton Trans.'
_journal_page_first              3869
_journal_page_last               3875
_journal_paper_doi               10.1039/b308388h
_journal_year                    2003
_chemical_formula_moiety         'C52 H44 Cl4 P4 Ni2 x 2 C3 H7 N O'
_chemical_formula_sum            'C58 H58 Cl4 N2 Ni2 O2 P4'
_chemical_formula_weight         1198.20
_chemical_name_common            (Ni2Cl4(cyclo-tetraphos))
_chemical_name_systematic        '[Ni2Cl4(cyclo-tetraphos)]'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 108.53(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.018(2)
_cell_length_b                   18.891(4)
_cell_length_c                   13.241(3)
_cell_measurement_reflns_used    50
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      1.0
_cell_volume                     2850.3(11)
_computing_cell_refinement       'Software of the Siemens P4'
_computing_data_collection       'Siemens P4'
_computing_data_reduction        'Software of the Siemens P4'
_computing_molecular_graphics    'SHELXTL PLUS'
_computing_publication_material  'SHELXTL PLUS'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device_type  'Siemens P4'
_diffrn_measurement_method       omega-scans
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.038
_diffrn_reflns_av_sigmaI/netI    0.4668
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -1
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            6861
_diffrn_reflns_theta_full        26.50
_diffrn_reflns_theta_max         26.50
_diffrn_reflns_theta_min         1.95
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.002
_exptl_absorpt_correction_T_max  0.820
_exptl_absorpt_correction_T_min  0.653
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    1.396
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1252
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.483
_refine_diff_density_min         -0.496
_refine_diff_density_rms         0.095
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.983
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     303
_refine_ls_number_reflns         5713
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.983
_refine_ls_R_factor_all          0.1028
_refine_ls_R_factor_gt           0.0595
_refine_ls_shift/su_max          -0.022
_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0588P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1209
_refine_ls_wR_factor_ref         0.2035
_reflns_number_gt                1112
_reflns_number_total             5713
_reflns_threshold_expression     >3sigma(I)
_cod_data_source_file            b308388h.txt
_cod_data_source_block           '[Ni2Cl4(cyclo-tetraphos)]'
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' tag value 'Psi-scans' was replaced
with 'psi-scan' value.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        2850.3(10)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7013459
#BEGIN Tags that were not found in dictionaries:
_diffrn_measured_fraction        0.969
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_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'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ni1 Ni 0.02301(14) 0.08723(7) 0.23717(9) 0.0484(5) Uani 1 1 d . . .
P1 P -0.1234(3) 0.03257(13) 0.12620(19) 0.0449(9) Uani 1 1 d . . .
P2 P 0.1328(3) 0.00786(13) 0.20053(19) 0.0448(9) Uani 1 1 d . . .
Cl1 Cl -0.1001(3) 0.15788(15) 0.2821(2) 0.0829(12) Uani 1 1 d . . .
Cl2 Cl 0.1777(3) 0.12997(16) 0.3573(2) 0.0881(12) Uani 1 1 d . . .
C1 C -0.0743(10) -0.0171(4) 0.0276(6) 0.039(3) Uani 1 1 d . . .
H1A H -0.1191 -0.0607 0.0035 0.059 Uiso 1 1 calc R . .
C2 C 0.0616(9) -0.0293(5) 0.0670(6) 0.042(3) Uani 1 1 d . . .
H2A H 0.0826 -0.0790 0.0617 0.064 Uiso 1 1 calc R . .
C11 C -0.2464(11) 0.0855(7) 0.0488(8) 0.048(3) Uani 1 1 d . . .
C12 C -0.2224(12) 0.1521(6) 0.0210(9) 0.069(4) Uani 1 1 d . . .
H12A H -0.1460 0.1694 0.0423 0.104 Uiso 1 1 calc R . .
C13 C -0.3151(15) 0.1933(7) -0.0398(10) 0.080(5) Uani 1 1 d . . .
H13A H -0.2990 0.2384 -0.0598 0.120 Uiso 1 1 calc R . .
C14 C -0.4274(14) 0.1711(8) -0.0713(10) 0.078(5) Uani 1 1 d . . .
H14A H -0.4883 0.2005 -0.1093 0.116 Uiso 1 1 calc R . .
C15 C -0.4486(13) 0.1020(8) -0.0446(11) 0.099(5) Uani 1 1 d . . .
H15A H -0.5247 0.0841 -0.0670 0.149 Uiso 1 1 calc R . .
C16 C -0.3582(14) 0.0606(6) 0.0143(10) 0.070(4) Uani 1 1 d . . .
H16A H -0.3733 0.0146 0.0312 0.105 Uiso 1 1 calc R . .
C21 C -0.1769(7) -0.0370(4) 0.1964(6) 0.053(3) Uani 1 1 d G . .
C22 C -0.2110(8) -0.1037(4) 0.1533(5) 0.083(4) Uani 1 1 d G . .
C23 C -0.2371(8) -0.1565(3) 0.2153(8) 0.100(5) Uani 1 1 d G . .
C24 C -0.2291(8) -0.1426(5) 0.3205(7) 0.085(5) Uani 1 1 d G . .
C25 C -0.1950(9) -0.0759(6) 0.3636(5) 0.139(7) Uani 1 1 d G . .
C26 C -0.1688(8) -0.0231(4) 0.3016(6) 0.103(5) Uani 1 1 d G . .
H22A H -0.2179 -0.1121 0.0861 0.154 Uiso 1 1 calc G . .
H23A H -0.2584 -0.2002 0.1887 0.154 Uiso 1 1 d G . .
H24A H -0.2453 -0.1783 0.3616 0.154 Uiso 1 1 d G . .
H25A H -0.1932 -0.0668 0.4287 0.154 Uiso 1 1 d G . .
H26A H -0.1442 0.0201 0.3314 0.154 Uiso 1 1 d G . .
C31 C 0.1435(8) -0.0666(4) 0.2901(6) 0.052(3) Uani 1 1 d G . .
C32 C 0.1581(11) -0.0514(4) 0.3963(7) 0.184(10) Uani 1 1 d G . .
C33 C 0.1608(11) -0.1060(6) 0.4674(5) 0.190(11) Uani 1 1 d G . .
C34 C 0.1488(9) -0.1758(5) 0.4323(8) 0.111(5) Uani 1 1 d G . .
C35 C 0.1341(11) -0.1910(3) 0.3262(8) 0.257(15) Uani 1 1 d G . .
C36 C 0.1315(11) -0.1364(4) 0.2551(5) 0.190(11) Uani 1 1 d G . .
H32A H 0.1608 -0.0102 0.4125 0.285 Uiso 1 1 calc G . .
H33A H 0.1778 -0.0988 0.5353 0.285 Uiso 1 1 d G . .
H34A H 0.1455 -0.2091 0.4768 0.285 Uiso 1 1 d G . .
H35A H 0.1243 -0.2349 0.3083 0.285 Uiso 1 1 d G . .
H36A H 0.1302 -0.1431 0.1913 0.285 Uiso 1 1 d G . .
C41 C 0.2815(11) 0.0308(6) 0.2089(8) 0.052(3) Uani 1 1 d . . .
C42 C 0.3060(13) 0.0939(7) 0.1666(8) 0.064(4) Uani 1 1 d . . .
H42A H 0.2448 0.1245 0.1332 0.096 Uiso 1 1 calc R . .
C43 C 0.4204(15) 0.1123(7) 0.1729(9) 0.074(4) Uani 1 1 d . . .
H43A H 0.4354 0.1553 0.1455 0.111 Uiso 1 1 calc R . .
C44 C 0.5091(15) 0.0671(8) 0.2194(11) 0.096(5) Uani 1 1 d . . .
H44A H 0.5860 0.0792 0.2253 0.144 Uiso 1 1 calc R . .
C45 C 0.4861(14) 0.0050(9) 0.2568(11) 0.099(5) Uani 1 1 d . . .
H45A H 0.5478 -0.0261 0.2870 0.149 Uiso 1 1 calc R . .
C46 C 0.3711(14) -0.0152(6) 0.2521(9) 0.074(4) Uani 1 1 d . . .
H46A H 0.3572 -0.0590 0.2779 0.111 Uiso 1 1 calc R . .
O1 O 0.4354(11) -0.3129(5) 0.5004(8) 0.129(4) Uani 1 1 d . . .
N1 N 0.4746(10) -0.2033(6) 0.4735(10) 0.082(3) Uani 1 1 d . . .
C3 C 0.465(2) -0.2487(13) 0.528(2) 0.29(2) Uani 1 1 d . . .
H3A H 0.4797 -0.2377 0.5997 0.432 Uiso 1 1 calc R . .
C4 C 0.459(2) -0.2128(11) 0.3641(15) 0.256(13) Uani 1 1 d . . .
H4A H 0.4374 -0.2610 0.3446 0.384 Uiso 1 1 calc R . .
H4B H 0.5308 -0.2020 0.3504 0.384 Uiso 1 1 calc R . .
H4C H 0.3980 -0.1819 0.3230 0.384 Uiso 1 1 calc R . .
C5 C 0.5079(16) -0.1320(8) 0.5034(14) 0.200(10) Uani 1 1 d . . .
H5A H 0.5606 -0.1309 0.5751 0.300 Uiso 1 1 calc R . .
H5B H 0.4392 -0.1046 0.4989 0.300 Uiso 1 1 calc R . .
H5C H 0.5462 -0.1125 0.4562 0.300 Uiso 1 1 calc R . .
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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
P2 Ni1 P1 86.49(12) . . ?
P2 Ni1 Cl2 88.91(13) . . ?
P1 Ni1 Cl2 173.15(13) . . ?
P2 Ni1 Cl1 172.91(14) . . ?
P1 Ni1 Cl1 90.10(13) . . ?
Cl2 Ni1 Cl1 93.92(13) . . ?
C11 P1 C21 109.1(5) . . ?
C11 P1 C1 105.5(4) . . ?
C21 P1 C1 103.6(4) . . ?
C11 P1 Ni1 117.6(4) . . ?
C21 P1 Ni1 109.7(3) . . ?
C1 P1 Ni1 110.4(4) . . ?
C41 P2 C31 106.4(5) . . ?
C41 P2 C2 107.4(5) . . ?
C31 P2 C2 104.2(4) . . ?
C41 P2 Ni1 118.9(4) . . ?
C31 P2 Ni1 108.3(3) . . ?
C2 P2 Ni1 110.6(4) . . ?
C2 C1 C2 89.6(8) . 3 ?
C2 C1 P1 111.9(6) . . ?
C2 C1 P1 114.3(6) 3 . ?
C1 C2 C1 90.4(8) . 3 ?
C1 C2 P2 112.4(6) . . ?
C1 C2 P2 114.7(7) 3 . ?
C16 C11 C12 119.9(12) . . ?
C16 C11 P1 122.8(11) . . ?
C12 C11 P1 117.2(11) . . ?
C11 C12 C13 118.3(13) . . ?
C14 C13 C12 123.0(14) . . ?
C13 C14 C15 117.3(14) . . ?
C16 C15 C14 120.2(14) . . ?
C11 C16 C15 121.1(12) . . ?
C22 C21 C26 120.0 . . ?
C22 C21 P1 123.0(5) . . ?
C26 C21 P1 116.6(5) . . ?
C23 C22 C21 120.0 . . ?
C22 C23 C24 120.0 . . ?
C23 C24 C25 120.0 . . ?
C26 C25 C24 120.0 . . ?
C25 C26 C21 120.0 . . ?
C32 C31 C36 120.0 . . ?
C32 C31 P2 117.4(5) . . ?
C36 C31 P2 122.5(5) . . ?
C31 C32 C33 120.0 . . ?
C32 C33 C34 120.0 . . ?
C33 C34 C35 120.0 . . ?
C36 C35 C34 120.0 . . ?
C35 C36 C31 120.0 . . ?
C46 C41 C42 118.5(12) . . ?
C46 C41 P2 120.5(11) . . ?
C42 C41 P2 120.9(11) . . ?
C41 C42 C43 121.4(12) . . ?
C44 C43 C42 119.3(14) . . ?
C45 C44 C43 119.8(16) . . ?
C44 C45 C46 122.3(15) . . ?
C41 C46 C45 118.6(12) . . ?
C3 N1 C4 123(2) . . ?
C3 N1 C5 127(2) . . ?
C4 N1 C5 109.8(15) . . ?
N1 C3 O1 127(3) . . ?
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 2.152(3) . ?
Ni1 P1 2.162(3) . ?
Ni1 Cl2 2.182(4) . ?
Ni1 Cl1 2.210(3) . ?
P1 C11 1.809(11) . ?
P1 C21 1.840(6) . ?
P1 C1 1.849(8) . ?
P2 C41 1.807(12) . ?
P2 C31 1.818(6) . ?
P2 C2 1.841(8) . ?
C1 C2 1.566(12) . ?
C1 C2 1.576(10) 3 ?
C2 C1 1.576(10) 3 ?
C11 C16 1.358(14) . ?
C11 C12 1.368(14) . ?
C12 C13 1.387(15) . ?
C13 C14 1.347(16) . ?
C14 C15 1.396(15) . ?
C15 C16 1.364(15) . ?
C21 C22 1.3900 . ?
C21 C26 1.3900 . ?
C22 C23 1.3900 . ?
C23 C24 1.3900 . ?
C24 C25 1.3900 . ?
C25 C26 1.3900 . ?
C31 C32 1.3900 . ?
C31 C36 1.3900 . ?
C32 C33 1.3900 . ?
C33 C34 1.3900 . ?
C34 C35 1.3900 . ?
C35 C36 1.3900 . ?
C41 C46 1.361(14) . ?
C41 C42 1.388(14) . ?
C42 C43 1.394(15) . ?
C43 C44 1.353(16) . ?
C44 C45 1.337(16) . ?
C45 C46 1.416(16) . ?
O1 C3 1.28(3) . ?
N1 C3 1.151(16) . ?
N1 C4 1.412(17) . ?
N1 C5 1.425(15) . ?
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
P2 Ni1 P1 C11 -146.2(4) . . . . ?
Cl2 Ni1 P1 C11 166.0(12) . . . . ?
Cl1 Ni1 P1 C11 40.1(4) . . . . ?
P2 Ni1 P1 C21 88.5(3) . . . . ?
Cl2 Ni1 P1 C21 40.6(13) . . . . ?
Cl1 Ni1 P1 C21 -85.3(3) . . . . ?
P2 Ni1 P1 C1 -25.1(3) . . . . ?
Cl2 Ni1 P1 C1 -73.0(12) . . . . ?
Cl1 Ni1 P1 C1 161.1(3) . . . . ?
P1 Ni1 P2 C41 150.6(4) . . . . ?
Cl2 Ni1 P2 C41 -34.5(4) . . . . ?
Cl1 Ni1 P2 C41 -148.1(10) . . . . ?
P1 Ni1 P2 C31 -88.0(3) . . . . ?
Cl2 Ni1 P2 C31 86.9(3) . . . . ?
Cl1 Ni1 P2 C31 -26.6(12) . . . . ?
P1 Ni1 P2 C2 25.6(3) . . . . ?
Cl2 Ni1 P2 C2 -159.4(4) . . . . ?
Cl1 Ni1 P2 C2 87.0(11) . . . . ?
C11 P1 C1 C2 146.9(7) . . . . ?
C21 P1 C1 C2 -98.5(7) . . . . ?
Ni1 P1 C1 C2 18.9(7) . . . . ?
C11 P1 C1 C2 46.9(10) . . . 3 ?
C21 P1 C1 C2 161.5(8) . . . 3 ?
Ni1 P1 C1 C2 -81.1(8) . . . 3 ?
C2 C1 C2 C1 0.0 3 . . 3 ?
P1 C1 C2 C1 -116.2(6) . . . 3 ?
C2 C1 C2 P2 117.1(7) 3 . . . ?
P1 C1 C2 P2 0.9(9) . . . . ?
C41 P2 C2 C1 -151.7(7) . . . . ?
C31 P2 C2 C1 95.6(7) . . . . ?
Ni1 P2 C2 C1 -20.5(7) . . . . ?
C41 P2 C2 C1 -50.3(10) . . . 3 ?
C31 P2 C2 C1 -162.9(8) . . . 3 ?
Ni1 P2 C2 C1 80.9(8) . . . 3 ?
C21 P1 C11 C16 -24.6(10) . . . . ?
C1 P1 C11 C16 86.2(10) . . . . ?
Ni1 P1 C11 C16 -150.3(8) . . . . ?
C21 P1 C11 C12 158.4(8) . . . . ?
C1 P1 C11 C12 -90.9(9) . . . . ?
Ni1 P1 C11 C12 32.7(9) . . . . ?
C16 C11 C12 C13 1.9(16) . . . . ?
P1 C11 C12 C13 179.0(8) . . . . ?
C11 C12 C13 C14 1.0(19) . . . . ?
C12 C13 C14 C15 -3(2) . . . . ?
C13 C14 C15 C16 2(2) . . . . ?
C12 C11 C16 C15 -2.6(18) . . . . ?
P1 C11 C16 C15 -179.5(9) . . . . ?
C14 C15 C16 C11 0(2) . . . . ?
C11 P1 C21 C22 90.6(6) . . . . ?
C1 P1 C21 C22 -21.4(6) . . . . ?
Ni1 P1 C21 C22 -139.3(4) . . . . ?
C11 P1 C21 C26 -96.8(5) . . . . ?
C1 P1 C21 C26 151.2(5) . . . . ?
Ni1 P1 C21 C26 33.2(5) . . . . ?
C26 C21 C22 C23 0.0 . . . . ?
P1 C21 C22 C23 172.3(6) . . . . ?
C21 C22 C23 C24 0.0 . . . . ?
C22 C23 C24 C25 0.0 . . . . ?
C23 C24 C25 C26 0.0 . . . . ?
C24 C25 C26 C21 0.0 . . . . ?
C22 C21 C26 C25 0.0 . . . . ?
P1 C21 C26 C25 -172.8(5) . . . . ?
C41 P2 C31 C32 86.9(7) . . . . ?
C2 P2 C31 C32 -159.8(6) . . . . ?
Ni1 P2 C31 C32 -42.0(6) . . . . ?
C41 P2 C31 C36 -96.6(7) . . . . ?
C2 P2 C31 C36 16.8(8) . . . . ?
Ni1 P2 C31 C36 134.5(6) . . . . ?
C36 C31 C32 C33 0.0 . . . . ?
P2 C31 C32 C33 176.7(7) . . . . ?
C31 C32 C33 C34 0.0 . . . . ?
C32 C33 C34 C35 0.0 . . . . ?
C33 C34 C35 C36 0.0 . . . . ?
C34 C35 C36 C31 0.0 . . . . ?
C32 C31 C36 C35 0.0 . . . . ?
P2 C31 C36 C35 -176.5(7) . . . . ?
C31 P2 C41 C46 16.2(10) . . . . ?
C2 P2 C41 C46 -95.0(10) . . . . ?
Ni1 P2 C41 C46 138.6(8) . . . . ?
C31 P2 C41 C42 -167.3(8) . . . . ?
C2 P2 C41 C42 81.5(9) . . . . ?
Ni1 P2 C41 C42 -44.9(10) . . . . ?
C46 C41 C42 C43 -3.7(16) . . . . ?
P2 C41 C42 C43 179.7(9) . . . . ?
C41 C42 C43 C44 1.4(18) . . . . ?
C42 C43 C44 C45 1(2) . . . . ?
C43 C44 C45 C46 -2(2) . . . . ?
C42 C41 C46 C45 3.3(17) . . . . ?
P2 C41 C46 C45 179.9(9) . . . . ?
C44 C45 C46 C41 -1(2) . . . . ?
C4 N1 C3 O1 -2(4) . . . . ?
C5 N1 C3 O1 -180(2) . . . . ?
