#------------------------------------------------------------------------------
#$Date: 2019-03-05 10:52:05 +0200 (Tue, 05 Mar 2019) $
#$Revision: 213973 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/01/27/7012724.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_7012724
loop_
_publ_author_name
'Pavlishchuk, Vitaly V.'
'Kolotilov, Sergey V.'
'Addison, Anthony W.'
'Prushan, Michael J.'
'Schollmeyer, Dieter'
'Thompson, Laurence K.'
'Weyhermüller, Thomas'
'Goreshnik, Eugeny A.'
_publ_section_title
;
 Structural, magnetic and related attributes of some oximate-bridged
 tetranuclear nickel(ii) rhombs and a dinuclear congenerElectronic
 supplementary information (ESI) available: mass spectra, \cT vs. T,
 response of magnetic properties, low-lying spin levels and UV-VIS
 data. See http://www.rsc.org/suppdata/dt/b3/b300539a/
;
_journal_issue                   8
_journal_name_full               'Dalton Transactions'
_journal_page_first              1587
_journal_paper_doi               10.1039/b300539a
_journal_year                    2003
_chemical_formula_sum            'C13 H22 Cl N6 Ni2 O11'
_chemical_formula_weight         591.24
_space_group_IT_number           64
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c a'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   15.137(5)
_cell_length_b                   14.921(7)
_cell_length_c                   21.516(12)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      30
_cell_measurement_theta_min      18
_cell_volume                     4860(4)
_computing_cell_refinement       'Enraf Nonius Software V5'
_computing_data_collection       'Enraf Nonius Software V5'
_computing_data_reduction        'Corinc (Drager, 1971)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR-92 (Altomare, 1994)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device       'κ-geometry diffractometer'
_diffrn_measurement_device_type  'CAD4 Enraf Nonius'
_diffrn_measurement_method       θ/2ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.1239
_diffrn_reflns_av_sigmaI/netI    0.1078
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            7142
_diffrn_reflns_theta_full        73.93
_diffrn_reflns_theta_max         73.93
_diffrn_reflns_theta_min         4.11
_diffrn_source                   'rotating anode'
_diffrn_standards_decay_%        20
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    3.511
_exptl_absorpt_correction_T_max  1.0
_exptl_absorpt_correction_T_min  0.63
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   'Corinc (Drager, 1971)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.616
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2424
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.32
_refine_diff_density_max         1.062
_refine_diff_density_min         -0.554
_refine_diff_density_rms         0.137
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     155
_refine_ls_number_reflns         2568
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.1755
_refine_ls_R_factor_gt           0.0889
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1819P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.2572
_refine_ls_wR_factor_ref         0.3200
_reflns_number_gt                1190
_reflns_number_total             2568
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b300539a.txt
_cod_data_source_block           1b
_cod_database_code               7012724
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'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1, z+1/2'
'x+1/2, -y+1/2, -z'
'-x+1/2, y+1, -z+1/2'
'-x, -y, -z'
'x, y-1/2, -z-1/2'
'-x, y, z'
'x, -y-1/2, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, y, -z-1/2'
'-x+1/2, y+1/2, z'
'x+1/2, -y, 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 0.39848(11) 0.5000 0.0000 0.0396(5) Uani 1 2 d S . .
O12 O 0.5000 0.4222(5) -0.0352(4) 0.0385(17) Uani 1 2 d S . .
Ni2 Ni 0.5000 0.29698(14) 0.00379(10) 0.0434(6) Uani 1 2 d S . .
O1 O 0.3079(4) 0.5685(5) 0.0585(3) 0.0563(16) Uani 1 1 d . . .
C2 C 0.2922(6) 0.5284(7) 0.1072(4) 0.052(2) Uani 1 1 d . . .
C3 C 0.3250(5) 0.4354(7) 0.1154(4) 0.050(2) Uani 1 1 d . . .
N4 N 0.3776(4) 0.4116(5) 0.0699(3) 0.0433(16) Uani 1 1 d . . .
O5 O 0.4091(4) 0.3302(4) 0.0706(3) 0.0549(16) Uani 1 1 d . . .
C6 C 0.2434(9) 0.5693(9) 0.1596(6) 0.087(4) Uani 1 1 d . . .
C7 C 0.3007(8) 0.3762(8) 0.1681(5) 0.075(3) Uani 1 1 d . . .
H7A H 0.3299 0.3194 0.1635 0.112 Uiso 1 1 d R . .
H7B H 0.2377 0.3672 0.1687 0.112 Uiso 1 1 d R . .
H7C H 0.3189 0.4038 0.2065 0.112 Uiso 1 1 d R . .
N8 N 0.3951(5) 0.2459(6) -0.0508(4) 0.058(2) Uani 1 1 d . A .
H8A H 0.3507 0.2862 -0.0525 0.070 Uiso 1 1 d R . .
H8B H 0.4140 0.2354 -0.0900 0.070 Uiso 1 1 d R . .
C9 C 0.3643(8) 0.1641(9) -0.0230(7) 0.086(4) Uani 1 1 d . . .
H9A H 0.3689 0.1179 -0.0548 0.103 Uiso 1 1 d R A .
H9B H 0.3021 0.1709 -0.0128 0.103 Uiso 1 1 d R . .
C10A C 0.4075(16) 0.1354(16) 0.0331(12) 0.072(6) Uani 0.55 1 d P A 1
H10A H 0.4133 0.0706 0.0316 0.087 Uiso 0.55 1 d PR A 1
H10B H 0.3728 0.1505 0.0697 0.087 Uiso 0.55 1 d PR A 1
C10B C 0.4371(17) 0.1100(18) 0.0038(15) 0.065(6) Uani 0.45 1 d P . 2
H10C H 0.4132 0.0624 0.0298 0.078 Uiso 0.45 1 d PR . 2
H10D H 0.4704 0.0829 -0.0300 0.078 Uiso 0.45 1 d PR . 2
N11 N 0.5000 0.1671(8) 0.0389(6) 0.056(3) Uani 1 2 d S . .
H13 H 0.5000 0.2038 0.0703 0.067 Uiso 1 2 d SR A .
Cl1 Cl 0.0000 0.4401(3) 0.1833(2) 0.0803(13) Uani 1 2 d SD . .
O1L O 0.0000 0.5084(10) 0.1410(7) 0.138(6) Uani 1 2 d SD . .
O2L O 0.0650(12) 0.3795(12) 0.1734(8) 0.206(8) Uani 1 1 d D . .
O3L O 0.0000 0.4666(17) 0.2435(9) 0.218(11) Uiso 1 2 d SD . .
N1L N 0.0000 0.1629(17) 0.1920(10) 0.145(8) Uiso 1 2 d SG . .
C1L C 0.020(2) 0.198(2) 0.2566(13) 0.184(18) Uiso 0.50 1 d PG . .
H1L1 H -0.0329 0.1989 0.2812 0.277 Uiso 0.50 1 d PR . .
H1L2 H 0.0432 0.2583 0.2535 0.277 Uiso 0.50 1 d PR . .
H1L3 H 0.0635 0.1605 0.2763 0.277 Uiso 0.50 1 d PR . .
O5L O -0.08341(10) 0.164(2) 0.1951(12) 0.327(14) Uiso 1 1 d G . .
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'
N N 0.0311 0.0180 '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'
Cl Cl 0.3639 0.7018 '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'
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
N4 Ni1 N4 162.0(4) 3_565 . ?
N4 Ni1 O12 91.3(3) 3_565 9_665 ?
N4 Ni1 O12 102.1(3) . 9_665 ?
N4 Ni1 O12 102.1(3) 3_565 . ?
N4 Ni1 O12 91.3(3) . . ?
O12 Ni1 O12 84.1(3) 9_665 . ?
N4 Ni1 O1 91.5(3) 3_565 . ?
N4 Ni1 O1 76.8(3) . . ?
O12 Ni1 O1 89.6(2) 9_665 . ?
O12 Ni1 O1 165.1(3) . . ?
N4 Ni1 O1 76.8(3) 3_565 3_565 ?
N4 Ni1 O1 91.5(3) . 3_565 ?
O12 Ni1 O1 165.1(3) 9_665 3_565 ?
O12 Ni1 O1 89.6(2) . 3_565 ?
O1 Ni1 O1 99.6(4) . 3_565 ?
Ni2 O12 Ni1 111.2(3) . 9_665 ?
Ni2 O12 Ni1 111.2(3) . . ?
Ni1 O12 Ni1 95.9(3) 9_665 . ?
O12 Ni2 O5 93.8(3) . 11_655 ?
O12 Ni2 O5 93.8(3) . . ?
O5 Ni2 O5 84.3(4) 11_655 . ?
O12 Ni2 N11 177.1(4) . . ?
O5 Ni2 N11 88.3(3) 11_655 . ?
O5 Ni2 N11 88.3(3) . . ?
O12 Ni2 N8 95.8(3) . . ?
O5 Ni2 N8 168.3(3) 11_655 . ?
O5 Ni2 N8 88.4(3) . . ?
N11 Ni2 N8 82.3(3) . . ?
O12 Ni2 N8 95.8(3) . 11_655 ?
O5 Ni2 N8 88.4(3) 11_655 11_655 ?
O5 Ni2 N8 168.3(3) . 11_655 ?
N11 Ni2 N8 82.3(3) . 11_655 ?
N8 Ni2 N8 97.2(5) . 11_655 ?
C2 O1 Ni1 113.3(6) . . ?
O1 C2 C6 123.0(10) . . ?
O1 C2 C3 119.4(8) . . ?
C6 C2 C3 117.6(9) . . ?
N4 C3 C7 124.1(9) . . ?
N4 C3 C2 111.6(8) . . ?
C7 C3 C2 124.3(8) . . ?
O5 N4 C3 117.8(8) . . ?
O5 N4 Ni1 123.9(5) . . ?
C3 N4 Ni1 118.2(6) . . ?
N4 O5 Ni2 117.5(5) . . ?
C9 N8 Ni2 108.6(7) . . ?
N8 C9 C10A 117.0(12) . . ?
N8 C9 C10B 112.5(13) . . ?
C10A C9 C10B 34.2(13) . . ?
C9 C10A N11 113.9(17) . . ?
C9 C10B N11 111.2(19) . . ?
C9 C10B C10B 138.0(11) . 11_655 ?
N11 C10B C10B 50.1(12) . 11_655 ?
C10A N11 C10A 141(2) . 11_655 ?
C10A N11 C10B 33.7(12) . . ?
C10A N11 C10B 112(2) 11_655 . ?
C10A N11 C10B 112(2) . 11_655 ?
C10A N11 C10B 33.7(12) 11_655 11_655 ?
C10B N11 C10B 80(2) . 11_655 ?
C10A N11 Ni2 105.5(11) . . ?
C10A N11 Ni2 105.5(11) 11_655 . ?
C10B N11 Ni2 110.5(11) . . ?
C10B N11 Ni2 110.5(11) 11_655 . ?
O2L Cl1 O2L 93(2) 11 . ?
O2L Cl1 O3L 110.2(10) 11 . ?
O2L Cl1 O3L 110.2(10) . . ?
O2L Cl1 O1L 113.2(8) 11 . ?
O2L Cl1 O1L 113.2(8) . . ?
O3L Cl1 O1L 114.8(13) . . ?
O5L N1L O5L 173.7 . 11 ?
O5L N1L C1L 98.6 . . ?
O5L N1L C1L 75.2 11 . ?
O5L N1L C1L 75(2) . 11 ?
O5L N1L C1L 99(2) 11 11 ?
C1L N1L C1L 23(2) . 11 ?
C1L C1L N1L 78.3 11 . ?
C1L C1L O5L 123.93(9) 11 11 ?
N1L C1L O5L 45.60(9) . 11 ?
N1L O5L C1L 59.2(18) . 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
Ni1 N4 2.026(7) 3_565 ?
Ni1 N4 2.026(7) . ?
Ni1 O12 2.069(5) 9_665 ?
Ni1 O12 2.069(5) . ?
Ni1 O1 2.123(6) . ?
Ni1 O1 2.124(6) 3_565 ?
O12 Ni2 2.049(8) . ?
O12 Ni1 2.069(5) 9_665 ?
Ni2 O5 2.051(7) 11_655 ?
Ni2 O5 2.051(7) . ?
Ni2 N11 2.080(12) . ?
Ni2 N8 2.116(8) . ?
Ni2 N8 2.116(8) 11_655 ?
O1 C2 1.230(11) . ?
C2 C6 1.479(13) . ?
C2 C3 1.484(14) . ?
C3 N4 1.310(10) . ?
C3 C7 1.484(12) . ?
N4 O5 1.305(9) . ?
N8 C9 1.437(14) . ?
C9 C10A 1.44(3) . ?
C9 C10B 1.48(3) . ?
C10A N11 1.48(2) . ?
C10B N11 1.48(3) . ?
C10B C10B 1.90(5) 11_655 ?
N11 C10A 1.48(2) 11_655 ?
N11 C10B 1.48(3) 11_655 ?
Cl1 O2L 1.354(12) 11 ?
Cl1 O2L 1.354(12) . ?
Cl1 O3L 1.355(17) . ?
Cl1 O1L 1.366(12) . ?
N1L O5L 1.2644 . ?
N1L O5L 1.264(3) 11 ?
N1L C1L 1.5201 . ?
N1L C1L 1.520(13) 11 ?
C1L C1L 0.62(7) 11 ?
C1L O5L 1.7111(18) 11 ?
O5L C1L 1.71(4) 11 ?
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
N4 Ni1 O12 Ni2 -154.5(3) 3_565 . . . ?
N4 Ni1 O12 Ni2 13.5(3) . . . . ?
O12 Ni1 O12 Ni2 115.5(4) 9_665 . . . ?
O1 Ni1 O12 Ni2 50.2(11) . . . . ?
O1 Ni1 O12 Ni2 -78.0(3) 3_565 . . . ?
N4 Ni1 O12 Ni1 90.1(3) 3_565 . . 9_665 ?
N4 Ni1 O12 Ni1 -102.0(3) . . . 9_665 ?
O12 Ni1 O12 Ni1 -0.003(1) 9_665 . . 9_665 ?
O1 Ni1 O12 Ni1 -65.2(11) . . . 9_665 ?
O1 Ni1 O12 Ni1 166.5(3) 3_565 . . 9_665 ?
Ni1 O12 Ni2 O5 10.5(3) 9_665 . . 11_655 ?
Ni1 O12 Ni2 O5 -95.1(3) . . . 11_655 ?
Ni1 O12 Ni2 O5 95.1(3) 9_665 . . . ?
Ni1 O12 Ni2 O5 -10.5(3) . . . . ?
Ni1 O12 Ni2 N11 -127.2(3) 9_665 . . . ?
Ni1 O12 Ni2 N11 127.2(3) . . . . ?
Ni1 O12 Ni2 N8 -176.1(3) 9_665 . . . ?
Ni1 O12 Ni2 N8 78.3(4) . . . . ?
Ni1 O12 Ni2 N8 -78.3(4) 9_665 . . 11_655 ?
Ni1 O12 Ni2 N8 176.1(3) . . . 11_655 ?
N4 Ni1 O1 C2 172.0(7) 3_565 . . . ?
N4 Ni1 O1 C2 5.8(6) . . . . ?
O12 Ni1 O1 C2 -96.7(7) 9_665 . . . ?
O12 Ni1 O1 C2 -32.1(14) . . . . ?
O1 Ni1 O1 C2 95.1(7) 3_565 . . . ?
Ni1 O1 C2 C6 169.4(9) . . . . ?
Ni1 O1 C2 C3 -9.0(11) . . . . ?
O1 C2 C3 N4 7.7(12) . . . . ?
C6 C2 C3 N4 -170.8(9) . . . . ?
O1 C2 C3 C7 -171.7(10) . . . . ?
C6 C2 C3 C7 9.8(15) . . . . ?
C7 C3 N4 O5 1.3(13) . . . . ?
C2 C3 N4 O5 -178.1(7) . . . . ?
C7 C3 N4 Ni1 177.2(8) . . . . ?
C2 C3 N4 Ni1 -2.2(9) . . . . ?
N4 Ni1 N4 O5 123.5(6) 3_565 . . . ?
O12 Ni1 N4 O5 -99.2(6) 9_665 . . . ?
O12 Ni1 N4 O5 -15.0(6) . . . . ?
O1 Ni1 N4 O5 174.1(7) . . . . ?
O1 Ni1 N4 O5 74.6(6) 3_565 . . . ?
N4 Ni1 N4 C3 -52.2(6) 3_565 . . . ?
O12 Ni1 N4 C3 85.1(6) 9_665 . . . ?
O12 Ni1 N4 C3 169.4(6) . . . . ?
O1 Ni1 N4 C3 -1.5(6) . . . . ?
O1 Ni1 N4 C3 -101.0(6) 3_565 . . . ?
C3 N4 O5 Ni2 -174.6(6) . . . . ?
Ni1 N4 O5 Ni2 9.7(8) . . . . ?
O12 Ni2 O5 N4 1.3(6) . . . . ?
O5 Ni2 O5 N4 94.8(6) 11_655 . . . ?
N11 Ni2 O5 N4 -176.7(6) . . . . ?
N8 Ni2 O5 N4 -94.4(6) . . . . ?
N8 Ni2 O5 N4 146.6(14) 11_655 . . . ?
O12 Ni2 N8 C9 -165.5(8) . . . . ?
O5 Ni2 N8 C9 -20(2) 11_655 . . . ?
O5 Ni2 N8 C9 -71.9(8) . . . . ?
N11 Ni2 N8 C9 16.6(8) . . . . ?
N8 Ni2 N8 C9 97.9(8) 11_655 . . . ?
Ni2 N8 C9 C10A 0.5(19) . . . . ?
Ni2 N8 C9 C10B -37.0(19) . . . . ?
N8 C9 C10A N11 -27(3) . . . . ?
C10B C9 C10A N11 64(3) . . . . ?
N8 C9 C10B N11 44(3) . . . . ?
C10A C9 C10B N11 -62(3) . . . . ?
N8 C9 C10B C10B -10(3) . . . 11_655 ?
C10A C9 C10B C10B -115(3) . . . 11_655 ?
C9 C10A N11 C10A -104(3) . . . 11_655 ?
C9 C10A N11 C10B -65(3) . . . . ?
C9 C10A N11 C10B -82(2) . . . 11_655 ?
C9 C10A N11 Ni2 38(2) . . . . ?
C9 C10B N11 C10A 60(3) . . . . ?
C10B C10B N11 C10A -164(2) 11_655 . . . ?
C9 C10B N11 C10A -145(2) . . . 11_655 ?
C10B C10B N11 C10A -9.2(13) 11_655 . . 11_655 ?
C9 C10B N11 C10B -135.6(14) . . . 11_655 ?
C9 C10B N11 Ni2 -27(2) . . . . ?
C10B C10B N11 Ni2 108.2(13) 11_655 . . . ?
O12 Ni2 N11 C10A -78.3(13) . . . . ?
O5 Ni2 N11 C10A 143.8(13) 11_655 . . . ?
O5 Ni2 N11 C10A 59.5(13) . . . . ?
N8 Ni2 N11 C10A -29.1(13) . . . . ?
N8 Ni2 N11 C10A -127.5(13) 11_655 . . . ?
O12 Ni2 N11 C10A 78.3(13) . . . 11_655 ?
O5 Ni2 N11 C10A -59.5(13) 11_655 . . 11_655 ?
O5 Ni2 N11 C10A -143.8(13) . . . 11_655 ?
N8 Ni2 N11 C10A 127.5(13) . . . 11_655 ?
N8 Ni2 N11 C10A 29.1(13) 11_655 . . 11_655 ?
O12 Ni2 N11 C10B -43.2(13) . . . . ?
O5 Ni2 N11 C10B 179.0(13) 11_655 . . . ?
O5 Ni2 N11 C10B 94.6(13) . . . . ?
N8 Ni2 N11 C10B 6.0(13) . . . . ?
N8 Ni2 N11 C10B -92.4(14) 11_655 . . . ?
O12 Ni2 N11 C10B 43.2(13) . . . 11_655 ?
O5 Ni2 N11 C10B -94.6(13) 11_655 . . 11_655 ?
O5 Ni2 N11 C10B -179.0(13) . . . 11_655 ?
N8 Ni2 N11 C10B 92.4(14) . . . 11_655 ?
N8 Ni2 N11 C10B -6.0(13) 11_655 . . 11_655 ?
O5L N1L C1L C1L -0.3 . . . 11 ?
O5L N1L C1L C1L -179.6 11 . . 11 ?
O5L N1L C1L O5L 179.3 . . . 11 ?
C1L N1L C1L O5L 179.6 11 . . 11 ?
O5L N1L O5L C1L 6.3(3) 11 . . 11 ?
C1L N1L O5L C1L 0.1 . . . 11 ?
