#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:55:00 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179353 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/50/4325078.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_4325078
loop_
_publ_author_name
'Dmitry Yakhvarov'
'Ekaterina Trofimova'
'Oleg Sinyashin'
'Olga Kataeva'
'Yulia Budnikova'
'Peter Lönnecke'
'Evamarie Hey-Hawkins'
'Andreas Petr'
'Yulia Krupskaya'
'Vladislav Kataev'
'Rüdiger Klingeler'
'Bernd Büchner'
_publ_section_title
;
 New Dinuclear Nickel(II) Complexes: Synthesis, Structure,
 Electrochemical, and Magnetic Properties
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4553
_journal_page_last               4558
_journal_paper_doi               10.1021/ic2002546
_journal_volume                  50
_journal_year                    2011
_chemical_formula_sum            'C58 H56 Br2 N8 Ni2 O4 P2'
_chemical_formula_weight         1268.29
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 109.31(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.908(1)
_cell_length_b                   15.051(1)
_cell_length_c                   16.906(1)
_cell_measurement_reflns_used    362
_cell_measurement_temperature    198(2)
_cell_measurement_theta_max      22.44
_cell_measurement_theta_min      3.66
_cell_volume                     2859.6(4)
_computing_cell_refinement
'Dirax/lsq (Duisenberg & Schreurs, 1989-2000)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction        'EvalCCD (Duisenberg & Schreurs 1990-2000)'
_computing_molecular_graphics    'Schakal-99 (E.Keller 1999)'
_computing_publication_material  'XCIF 6.12 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      198(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.806
_diffrn_measured_fraction_theta_max 0.806
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       CCD
_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  0.0379
_diffrn_reflns_av_sigmaI/netI    0.0293
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            39701
_diffrn_reflns_theta_full        28.47
_diffrn_reflns_theta_max         28.47
_diffrn_reflns_theta_min         3.26
_exptl_absorpt_coefficient_mu    2.165
_exptl_absorpt_correction_T_max  0.4934
_exptl_absorpt_correction_T_min  0.3126
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS 2.03.(Sheldrick,Bruker AXS Inc.,2002)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.473
_exptl_crystal_description       block
_exptl_crystal_F_000             1296
_exptl_crystal_size_max          0.70
_exptl_crystal_size_mid          0.67
_exptl_crystal_size_min          0.38
_refine_diff_density_max         0.657
_refine_diff_density_min         -0.410
_refine_diff_density_rms         0.072
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     350
_refine_ls_number_reflns         5829
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.068
_refine_ls_R_factor_all          0.0545
_refine_ls_R_factor_gt           0.0305
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0284P)²+2.5105P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0635
_refine_ls_wR_factor_ref         0.0713
_reflns_number_gt                4468
_reflns_number_total             5829
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic2002546_si_004.cif
_cod_data_source_block           bud2
_cod_original_cell_volume        2859.6(3)
_cod_database_code               4325078
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Br1 Br 0.82575(2) 0.155602(19) 0.087601(16) 0.03219(8) Uani 1 1 d .
Ni1 Ni 0.55109(2) 0.546221(19) 0.159356(18) 0.01718(8) Uani 1 1 d .
O1 O 0.53498(14) 0.59621(11) 0.04340(10) 0.0218(4) Uani 1 1 d .
O2 O 0.47415(14) 0.42939(11) 0.10815(10) 0.0227(4) Uani 1 1 d .
P1 P 0.60089(5) 0.58460(4) -0.01799(4) 0.01659(13) Uani 1 1 d .
H1 H 0.6702(18) 0.5206(14) 0.0069(13) 0.011(6) Uiso 1 1 d .
C1 C 0.6944(2) 0.68048(15) -0.01315(14) 0.0187(5) Uani 1 1 d .
C2 C 0.8189(2) 0.67442(17) 0.01154(16) 0.0262(6) Uani 1 1 d .
C3 C 0.8837(2) 0.7522(2) 0.01471(17) 0.0350(7) Uani 1 1 d .
H3 H 0.9680 0.7484 0.0322 0.042 Uiso 1 1 calc R
C4 C 0.8312(2) 0.83410(18) -0.00636(18) 0.0336(7) Uani 1 1 d .
C5 C 0.7080(2) 0.83801(17) -0.03329(17) 0.0303(6) Uani 1 1 d .
H5 H 0.6699 0.8937 -0.0496 0.036 Uiso 1 1 calc R
C6 C 0.6387(2) 0.76319(16) -0.03713(15) 0.0220(5) Uani 1 1 d .
C7 C 0.8852(2) 0.5874(2) 0.0313(2) 0.0473(8) Uani 1 1 d .
H7A H 0.8707 0.5594 0.0793 0.071 Uiso 1 1 calc R
H7B H 0.9706 0.5983 0.0447 0.071 Uiso 1 1 calc R
H7C H 0.8574 0.5479 -0.0175 0.071 Uiso 1 1 calc R
C8 C 0.9042(3) 0.9166(2) -0.0032(2) 0.0525(9) Uani 1 1 d .
H8A H 0.8843 0.9613 0.0323 0.079 Uiso 1 1 calc R
H8B H 0.8868 0.9404 -0.0599 0.079 Uiso 1 1 calc R
H8C H 0.9890 0.9019 0.0202 0.079 Uiso 1 1 calc R
C9 C 0.5049(2) 0.77268(17) -0.06960(18) 0.0325(6) Uani 1 1 d .
H9A H 0.4722 0.7375 -0.1209 0.049 Uiso 1 1 calc R
H9B H 0.4838 0.8353 -0.0819 0.049 Uiso 1 1 calc R
H9C H 0.4719 0.7514 -0.0271 0.049 Uiso 1 1 calc R
N10 N 0.72248(16) 0.49688(13) 0.18647(12) 0.0206(4) Uani 1 1 d .
C11 C 0.8098(2) 0.55000(16) 0.23403(15) 0.0234(5) Uani 1 1 d .
C12 C 0.9271(2) 0.52075(19) 0.26470(18) 0.0358(7) Uani 1 1 d .
H12 H 0.9879 0.5583 0.2990 0.043 Uiso 1 1 calc R
C13 C 0.9537(2) 0.4366(2) 0.2446(2) 0.0444(8) Uani 1 1 d .
H13 H 1.0334 0.4155 0.2654 0.053 Uiso 1 1 calc R
C14 C 0.8653(2) 0.38315(19) 0.19454(18) 0.0376(7) Uani 1 1 d .
H14 H 0.8828 0.3253 0.1793 0.045 Uiso 1 1 calc R
C15 C 0.7508(2) 0.41544(17) 0.16702(16) 0.0286(6) Uani 1 1 d .
H15 H 0.6892 0.3785 0.1328 0.034 Uiso 1 1 calc R
N16 N 0.65337(17) 0.65387(13) 0.22166(12) 0.0212(4) Uani 1 1 d .
C17 C 0.7719(2) 0.63965(16) 0.25089(15) 0.0228(5) Uani 1 1 d .
C18 C 0.8505(2) 0.70451(18) 0.29401(17) 0.0295(6) Uani 1 1 d .
H18 H 0.9338 0.6937 0.3132 0.035 Uiso 1 1 calc R
C19 C 0.8062(2) 0.78529(18) 0.30868(17) 0.0320(6) Uani 1 1 d .
H19 H 0.8588 0.8306 0.3384 0.038 Uiso 1 1 calc R
C20 C 0.6857(2) 0.79981(17) 0.28021(16) 0.0304(6) Uani 1 1 d .
H20 H 0.6535 0.8548 0.2902 0.036 Uiso 1 1 calc R
C21 C 0.6126(2) 0.73242(16) 0.23662(16) 0.0269(6) Uani 1 1 d .
H21 H 0.5291 0.7425 0.2163 0.032 Uiso 1 1 calc R
N22 N 0.39031(16) 0.60404(13) 0.15211(12) 0.0200(4) Uani 1 1 d .
C23 C 0.3547(2) 0.59113(16) 0.21895(15) 0.0233(5) Uani 1 1 d .
C24 C 0.2575(2) 0.6345(2) 0.22773(17) 0.0380(7) Uani 1 1 d .
H24 H 0.2344 0.6249 0.2757 0.046 Uiso 1 1 calc R
C25 C 0.1942(3) 0.6922(2) 0.16525(19) 0.0446(8) Uani 1 1 d .
H25 H 0.1277 0.7235 0.1704 0.054 Uiso 1 1 calc R
C26 C 0.2279(2) 0.7040(2) 0.09578(18) 0.0357(7) Uani 1 1 d .
H26 H 0.1843 0.7423 0.0516 0.043 Uiso 1 1 calc R
C27 C 0.3268(2) 0.65894(17) 0.09172(16) 0.0269(6) Uani 1 1 d .
H27 H 0.3508 0.6673 0.0439 0.032 Uiso 1 1 calc R
N28 N 0.53022(17) 0.50174(13) 0.27161(12) 0.0213(4) Uani 1 1 d .
C29 C 0.4289(2) 0.52871(16) 0.28277(15) 0.0227(5) Uani 1 1 d .
C30 C 0.3959(2) 0.49892(18) 0.34985(16) 0.0307(6) Uani 1 1 d .
H30 H 0.3237 0.5183 0.3567 0.037 Uiso 1 1 calc R
C31 C 0.4702(3) 0.44066(18) 0.40626(17) 0.0361(7) Uani 1 1 d .
H31 H 0.4492 0.4191 0.4523 0.043 Uiso 1 1 calc R
C32 C 0.5746(3) 0.41389(18) 0.39580(17) 0.0349(7) Uani 1 1 d .
H32 H 0.6274 0.3746 0.4346 0.042 Uiso 1 1 calc R
C33 C 0.6006(2) 0.44575(17) 0.32715(16) 0.0297(6) Uani 1 1 d .
H33 H 0.6723 0.4268 0.3192 0.036 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'
Br Br -0.2901 2.4595 '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'
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'
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
O2 Ni1 O1 91.36(6) . .
O2 Ni1 N22 93.47(7) . .
O1 Ni1 N22 89.82(7) . .
O2 Ni1 N10 93.22(7) . .
O1 Ni1 N10 96.71(7) . .
N22 Ni1 N10 170.53(8) . .
O2 Ni1 N16 170.99(7) . .
O1 Ni1 N16 92.99(7) . .
N22 Ni1 N16 94.44(8) . .
N10 Ni1 N16 78.44(8) . .
O2 Ni1 N28 86.44(7) . .
O1 Ni1 N28 168.15(7) . .
N22 Ni1 N28 78.71(8) . .
N10 Ni1 N28 95.04(8) . .
N16 Ni1 N28 90.86(8) . .
P1 O1 Ni1 135.43(10) . .
P1 O2 Ni1 125.70(10) 3_665 .
O1 P1 O2 116.40(9) . 3_665
O1 P1 C1 109.29(10) . .
O2 P1 C1 107.94(10) 3_665 .
O1 P1 H1 107.1(10) . .
O2 P1 H1 109.8(10) 3_665 .
C1 P1 H1 105.7(10) . .
C2 C1 C6 119.6(2) . .
C2 C1 P1 122.40(18) . .
C6 C1 P1 117.95(17) . .
C3 C2 C1 118.3(2) . .
C3 C2 C7 118.6(2) . .
C1 C2 C7 123.1(2) . .
C4 C3 C2 123.0(2) . .
C4 C3 H3 118.5 . .
C2 C3 H3 118.5 . .
C3 C4 C5 117.7(2) . .
C3 C4 C8 121.5(3) . .
C5 C4 C8 120.8(3) . .
C6 C5 C4 122.0(2) . .
C6 C5 H5 119.0 . .
C4 C5 H5 119.0 . .
C5 C6 C1 119.3(2) . .
C5 C6 C9 118.7(2) . .
C1 C6 C9 121.9(2) . .
C2 C7 H7A 109.5 . .
C2 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
C2 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
C4 C8 H8A 109.5 . .
C4 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C4 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C6 C9 H9A 109.5 . .
C6 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C6 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C15 N10 C11 118.8(2) . .
C15 N10 Ni1 125.58(16) . .
C11 N10 Ni1 115.36(16) . .
N10 C11 C12 121.1(2) . .
N10 C11 C17 115.6(2) . .
C12 C11 C17 123.3(2) . .
C13 C12 C11 119.0(2) . .
C13 C12 H12 120.5 . .
C11 C12 H12 120.5 . .
C14 C13 C12 120.0(3) . .
C14 C13 H13 120.0 . .
C12 C13 H13 120.0 . .
C13 C14 C15 118.3(3) . .
C13 C14 H14 120.9 . .
C15 C14 H14 120.9 . .
N10 C15 C14 122.8(2) . .
N10 C15 H15 118.6 . .
C14 C15 H15 118.6 . .
C21 N16 C17 118.3(2) . .
C21 N16 Ni1 126.47(16) . .
C17 N16 Ni1 115.23(16) . .
N16 C17 C18 121.7(2) . .
N16 C17 C11 115.0(2) . .
C18 C17 C11 123.3(2) . .
C19 C18 C17 119.0(2) . .
C19 C18 H18 120.5 . .
C17 C18 H18 120.5 . .
C20 C19 C18 119.7(2) . .
C20 C19 H19 120.2 . .
C18 C19 H19 120.2 . .
C19 C20 C21 118.2(2) . .
C19 C20 H20 120.9 . .
C21 C20 H20 120.9 . .
N16 C21 C20 123.2(2) . .
N16 C21 H21 118.4 . .
C20 C21 H21 118.4 . .
C27 N22 C23 118.4(2) . .
C27 N22 Ni1 125.71(16) . .
C23 N22 Ni1 115.58(16) . .
N22 C23 C24 122.1(2) . .
N22 C23 C29 115.2(2) . .
C24 C23 C29 122.8(2) . .
C23 C24 C25 118.7(3) . .
C23 C24 H24 120.7 . .
C25 C24 H24 120.7 . .
C26 C25 C24 119.7(3) . .
C26 C25 H25 120.1 . .
C24 C25 H25 120.1 . .
C25 C26 C27 118.3(3) . .
C25 C26 H26 120.8 . .
C27 C26 H26 120.8 . .
N22 C27 C26 122.8(2) . .
N22 C27 H27 118.6 . .
C26 C27 H27 118.6 . .
C33 N28 C29 118.5(2) . .
C33 N28 Ni1 127.06(18) . .
C29 N28 Ni1 114.20(15) . .
N28 C29 C30 121.7(2) . .
N28 C29 C23 115.8(2) . .
C30 C29 C23 122.4(2) . .
C31 C30 C29 118.6(3) . .
C31 C30 H30 120.7 . .
C29 C30 H30 120.7 . .
C32 C31 C30 119.9(3) . .
C32 C31 H31 120.0 . .
C30 C31 H31 120.0 . .
C31 C32 C33 118.1(3) . .
C31 C32 H32 121.0 . .
C33 C32 H32 121.0 . .
N28 C33 C32 123.2(3) . .
N28 C33 H33 118.4 . .
C32 C33 H33 118.4 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ni1 O2 2.0387(16) .
Ni1 O1 2.0487(16) .
Ni1 N22 2.0695(19) .
Ni1 N10 2.0756(19) .
Ni1 N16 2.0903(19) .
Ni1 N28 2.103(2) .
O1 P1 1.5041(17) .
O2 P1 1.5051(16) 3_665
P1 O2 1.5052(16) 3_665
P1 C1 1.808(2) .
P1 H1 1.25(2) .
C1 C2 1.403(3) .
C1 C6 1.406(3) .
C2 C3 1.393(4) .
C2 C7 1.509(4) .
C3 C4 1.375(4) .
C3 H3 0.9500 .
C4 C5 1.386(4) .
C4 C8 1.507(4) .
C5 C6 1.385(3) .
C5 H5 0.9500 .
C6 C9 1.511(3) .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
N10 C15 1.341(3) .
N10 C11 1.347(3) .
C11 C12 1.390(3) .
C11 C17 1.480(3) .
C12 C13 1.375(4) .
C12 H12 0.9500 .
C13 C14 1.372(4) .
C13 H13 0.9500 .
C14 C15 1.376(4) .
C14 H14 0.9500 .
C15 H15 0.9500 .
N16 C21 1.334(3) .
N16 C17 1.350(3) .
C17 C18 1.382(3) .
C18 C19 1.381(4) .
C18 H18 0.9500 .
C19 C20 1.371(4) .
C19 H19 0.9500 .
C20 C21 1.381(3) .
C20 H20 0.9500 .
C21 H21 0.9500 .
N22 C27 1.336(3) .
N22 C23 1.346(3) .
C23 C24 1.379(4) .
C23 C29 1.482(3) .
C24 C25 1.383(4) .
C24 H24 0.9500 .
C25 C26 1.372(4) .
C25 H25 0.9500 .
C26 C27 1.380(4) .
C26 H26 0.9500 .
C27 H27 0.9500 .
N28 C33 1.332(3) .
N28 C29 1.344(3) .
C29 C30 1.391(3) .
C30 C31 1.380(4) .
C30 H30 0.9500 .
C31 C32 1.372(4) .
C31 H31 0.9500 .
C32 C33 1.383(4) .
C32 H32 0.9500 .
C33 H33 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_4
O2 Ni1 O1 P1 -77.96(14) . .
N22 Ni1 O1 P1 -171.43(14) . .
N10 Ni1 O1 P1 15.44(15) . .
N16 Ni1 O1 P1 94.14(14) . .
N28 Ni1 O1 P1 -157.1(3) . .
O1 Ni1 O2 P1 -18.93(13) . 3_665
N22 Ni1 O2 P1 70.98(13) . 3_665
N10 Ni1 O2 P1 -115.72(13) . 3_665
N16 Ni1 O2 P1 -137.8(4) . 3_665
N28 Ni1 O2 P1 149.42(13) . 3_665
Ni1 O1 P1 O2 134.09(13) . 3_665
Ni1 O1 P1 C1 -103.36(15) . .
O1 P1 C1 C2 117.3(2) . .
O2 P1 C1 C2 -115.2(2) 3_665 .
O1 P1 C1 C6 -64.2(2) . .
O2 P1 C1 C6 63.3(2) 3_665 .
C6 C1 C2 C3 2.6(4) . .
P1 C1 C2 C3 -178.9(2) . .
C6 C1 C2 C7 -174.7(3) . .
P1 C1 C2 C7 3.7(4) . .
C1 C2 C3 C4 -1.0(4) . .
C7 C2 C3 C4 176.5(3) . .
C2 C3 C4 C5 -1.2(4) . .
C2 C3 C4 C8 -179.2(3) . .
C3 C4 C5 C6 1.7(4) . .
C8 C4 C5 C6 179.8(3) . .
C4 C5 C6 C1 -0.1(4) . .
C4 C5 C6 C9 -178.3(3) . .
C2 C1 C6 C5 -2.2(4) . .
P1 C1 C6 C5 179.34(19) . .
C2 C1 C6 C9 176.0(2) . .
P1 C1 C6 C9 -2.5(3) . .
O2 Ni1 N10 C15 2.8(2) . .
O1 Ni1 N10 C15 -88.9(2) . .
N22 Ni1 N10 C15 137.7(4) . .
N16 Ni1 N10 C15 179.4(2) . .
N28 Ni1 N10 C15 89.5(2) . .
O2 Ni1 N10 C11 -171.04(17) . .
O1 Ni1 N10 C11 97.21(17) . .
N22 Ni1 N10 C11 -36.1(6) . .
N16 Ni1 N10 C11 5.52(17) . .
N28 Ni1 N10 C11 -84.33(18) . .
C15 N10 C11 C12 -1.8(4) . .
Ni1 N10 C11 C12 172.5(2) . .
C15 N10 C11 C17 178.4(2) . .
Ni1 N10 C11 C17 -7.2(3) . .
N10 C11 C12 C13 1.1(4) . .
C17 C11 C12 C13 -179.1(3) . .
C11 C12 C13 C14 0.4(5) . .
C12 C13 C14 C15 -1.2(5) . .
C11 N10 C15 C14 0.9(4) . .
Ni1 N10 C15 C14 -172.8(2) . .
C13 C14 C15 N10 0.6(5) . .
O2 Ni1 N16 C21 -158.4(4) . .
O1 Ni1 N16 C21 82.9(2) . .
N22 Ni1 N16 C21 -7.2(2) . .
N10 Ni1 N16 C21 179.1(2) . .
N28 Ni1 N16 C21 -85.9(2) . .
O2 Ni1 N16 C17 19.7(6) . .
O1 Ni1 N16 C17 -99.04(17) . .
N22 Ni1 N16 C17 170.91(17) . .
N10 Ni1 N16 C17 -2.80(17) . .
N28 Ni1 N16 C17 92.17(17) . .
C21 N16 C17 C18 -1.1(4) . .
Ni1 N16 C17 C18 -179.41(19) . .
C21 N16 C17 C11 178.2(2) . .
Ni1 N16 C17 C11 -0.1(3) . .
N10 C11 C17 N16 4.8(3) . .
C12 C11 C17 N16 -174.9(2) . .
N10 C11 C17 C18 -175.8(2) . .
C12 C11 C17 C18 4.4(4) . .
N16 C17 C18 C19 1.1(4) . .
C11 C17 C18 C19 -178.2(2) . .
C17 C18 C19 C20 -0.2(4) . .
C18 C19 C20 C21 -0.6(4) . .
C17 N16 C21 C20 0.3(4) . .
Ni1 N16 C21 C20 178.30(19) . .
C19 C20 C21 N16 0.6(4) . .
O2 Ni1 N22 C27 -98.0(2) . .
O1 Ni1 N22 C27 -6.6(2) . .
N10 Ni1 N22 C27 127.2(5) . .
N16 Ni1 N22 C27 86.4(2) . .
N28 Ni1 N22 C27 176.4(2) . .
O2 Ni1 N22 C23 88.97(17) . .
O1 Ni1 N22 C23 -179.68(17) . .
N10 Ni1 N22 C23 -45.9(6) . .
N16 Ni1 N22 C23 -86.70(17) . .
N28 Ni1 N22 C23 3.29(17) . .
C27 N22 C23 C24 -1.8(4) . .
Ni1 N22 C23 C24 171.8(2) . .
C27 N22 C23 C29 179.4(2) . .
Ni1 N22 C23 C29 -7.0(3) . .
N22 C23 C24 C25 0.7(4) . .
C29 C23 C24 C25 179.4(3) . .
C23 C24 C25 C26 1.0(5) . .
C24 C25 C26 C27 -1.6(5) . .
C23 N22 C27 C26 1.2(4) . .
Ni1 N22 C27 C26 -171.7(2) . .
C25 C26 C27 N22 0.5(4) . .
O2 Ni1 N28 C33 81.4(2) . .
O1 Ni1 N28 C33 161.0(3) . .
N22 Ni1 N28 C33 175.6(2) . .
N10 Ni1 N28 C33 -11.5(2) . .
N16 Ni1 N28 C33 -90.0(2) . .
O2 Ni1 N28 C29 -92.98(17) . .
O1 Ni1 N28 C29 -13.4(4) . .
N22 Ni1 N28 C29 1.28(16) . .
N10 Ni1 N28 C29 174.10(16) . .
N16 Ni1 N28 C29 95.63(17) . .
C33 N28 C29 C30 -0.7(3) . .
Ni1 N28 C29 C30 174.19(19) . .
C33 N28 C29 C23 179.8(2) . .
Ni1 N28 C29 C23 -5.3(3) . .
N22 C23 C29 N28 8.2(3) . .
C24 C23 C29 N28 -170.6(2) . .
N22 C23 C29 C30 -171.3(2) . .
C24 C23 C29 C30 10.0(4) . .
N28 C29 C30 C31 0.4(4) . .
C23 C29 C30 C31 179.9(2) . .
C29 C30 C31 C32 0.5(4) . .
C30 C31 C32 C33 -1.1(4) . .
C29 N28 C33 C32 0.1(4) . .
Ni1 N28 C33 C32 -174.10(19) . .
C31 C32 C33 N28 0.8(4) . .
