#------------------------------------------------------------------------------
#$Date: 2016-02-18 14:25:00 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176728 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/28/8102861.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_8102861
loop_
_publ_author_name
'Feng-Yang Ju'
'Li Yang'
_publ_section_title
;
 Crystal structure of
 diaquabis[2-{2'-[(l'-methyl)benzimidazolyl]}-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide]nickel(II)
 bisperchlorate dihydrate, [Ni(H2O)2(C15H19N4O2)2][ClO4]2 · 2H2O
;
_journal_issue                   4
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              765
_journal_volume                  225
_journal_year                    2010
_chemical_formula_sum            'C30 H46 Cl2 N8 Ni O16'
_chemical_formula_weight         904.36
_chemical_name_systematic
;
nitronyl nitroxide nickel
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 101.047(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.958(3)
_cell_length_b                   15.904(4)
_cell_length_c                   18.514(5)
_cell_measurement_reflns_used    4766
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      25.09
_cell_measurement_theta_min      2.40
_cell_volume                     4033.7(17)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and 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  0.0249
_diffrn_reflns_av_sigmaI/netI    0.0229
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            14206
_diffrn_reflns_theta_full        25.49
_diffrn_reflns_theta_max         25.49
_diffrn_reflns_theta_min         2.40
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.692
_exptl_absorpt_correction_T_max  0.8588
_exptl_absorpt_correction_T_min  0.7524
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            dark-green
_exptl_crystal_density_diffrn    1.489
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1888
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.29
_exptl_crystal_size_min          0.23
_refine_diff_density_max         0.930
_refine_diff_density_min         -0.644
_refine_diff_density_rms         0.069
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     277
_refine_ls_number_reflns         3747
_refine_ls_number_restraints     343
_refine_ls_restrained_S_all      1.100
_refine_ls_R_factor_all          0.0610
_refine_ls_R_factor_gt           0.0502
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0844P)²+8.8692P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1433
_refine_ls_wR_factor_ref         0.1535
_reflns_number_gt                3084
_reflns_number_total             3747
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1267-3205.cff
_cod_data_source_block           b
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_cell_volume        4033.5(17)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               8102861
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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
Cl1 Cl 0.15608(6) 0.56700(4) 0.34385(4) 0.0804(2) Uani 0.642(2) 1 d PDU A 1
O5 O 0.1906(3) 0.6188(3) 0.2905(2) 0.1453(14) Uani 0.642(2) 1 d PDU A 1
O6 O 0.0752(3) 0.5909(3) 0.3708(3) 0.1646(17) Uani 0.642(2) 1 d PDU A 1
O7 O 0.2421(2) 0.5753(2) 0.40660(18) 0.0926(10) Uani 0.642(2) 1 d PDU A 1
O8 O 0.1566(2) 0.48055(17) 0.32313(18) 0.0844(8) Uani 0.642(2) 1 d PDU A 1
Cl1' Cl 0.15608(6) 0.56700(4) 0.34385(4) 0.0804(2) Uani 0.358(2) 1 d PDU A 2
O5' O 0.0820(4) 0.6188(4) 0.3033(4) 0.1453(14) Uani 0.358(2) 1 d PDU A 2
O6' O 0.1034(4) 0.5450(5) 0.4052(3) 0.1646(17) Uani 0.358(2) 1 d PDU A 2
O7' O 0.2421(4) 0.6025(4) 0.3849(3) 0.0926(10) Uani 0.358(2) 1 d PDU A 2
O8' O 0.1705(4) 0.4901(3) 0.3087(3) 0.0844(8) Uani 0.358(2) 1 d PDU A 2
Ni1 Ni 1.0000 0.254676(19) 0.2500 0.02831(8) Uani 1 2 d S . .
O1 O 0.91583(9) 0.25508(8) 0.32991(7) 0.0380(3) Uani 1 1 d U . .
O2 O 0.62849(11) 0.37863(10) 0.21302(10) 0.0606(5) Uani 1 1 d U . .
O3 O 1.0000 0.12651(12) 0.2500 0.0474(5) Uani 1 2 d SD . .
H1W H 0.9679 0.0977 0.2741 0.071 Uiso 1 1 d RD . .
O4 O 1.0000 0.38487(11) 0.2500 0.0422(5) Uani 1 2 d SD . .
H2W H 1.0462 0.4159 0.2688 0.063 Uiso 1 1 d RD . .
O9 O 0.91981(16) 0.03722(13) 0.34829(12) 0.0941(7) Uani 1 1 d D . .
H4W H 0.8727 0.0714 0.3444 0.141 Uiso 1 1 d RD . .
H3W H 0.8989 -0.0090 0.3302 0.141 Uiso 1 1 d RD . .
N1 N 0.87021(11) 0.24775(9) 0.17206(8) 0.0330(4) Uani 1 1 d U . .
N2 N 0.70942(11) 0.22313(10) 0.14014(9) 0.0397(4) Uani 1 1 d U . .
N3 N 0.83711(10) 0.30042(10) 0.31849(8) 0.0342(4) Uani 1 1 d U . .
N4 N 0.69876(11) 0.35660(10) 0.26422(10) 0.0431(4) Uani 1 1 d U . .
C1 C 0.85215(14) 0.20191(11) 0.10657(10) 0.0362(5) Uani 1 1 d U . .
C2 C 0.75241(14) 0.18730(12) 0.08657(11) 0.0404(5) Uani 1 1 d U . .
C3 C 0.71190(18) 0.14238(14) 0.02263(12) 0.0544(6) Uani 1 1 d U . .
H3A H 0.6451 0.1328 0.0094 0.065 Uiso 1 1 calc R . .
C4 C 0.7758(2) 0.11352(15) -0.01912(12) 0.0620(7) Uani 1 1 d U . .
H4A H 0.7517 0.0842 -0.0623 0.074 Uiso 1 1 calc R . .
C5 C 0.87650(19) 0.12677(15) 0.00120(12) 0.0581(7) Uani 1 1 d U . .
H5 H 0.9175 0.1052 -0.0284 0.070 Uiso 1 1 calc R . .
C6 C 0.91672(16) 0.17092(13) 0.06391(11) 0.0467(6) Uani 1 1 d U . .
H6 H 0.9837 0.1796 0.0771 0.056 Uiso 1 1 calc R . .
C7 C 0.78248(13) 0.25928(11) 0.18907(10) 0.0331(4) Uani 1 1 d U . .
C8 C 0.60603(15) 0.21199(16) 0.14413(15) 0.0594(7) Uani 1 1 d U . .
H8A H 0.5974 0.2216 0.1937 0.089 Uiso 1 1 calc R . .
H8B H 0.5861 0.1557 0.1296 0.089 Uiso 1 1 calc R . .
H8C H 0.5671 0.2514 0.1117 0.089 Uiso 1 1 calc R . .
C9 C 0.77117(12) 0.30364(11) 0.25562(10) 0.0336(4) Uani 1 1 d U . .
C10 C 0.81349(14) 0.35759(13) 0.37708(11) 0.0443(5) Uani 1 1 d U . .
C11 C 0.70585(15) 0.38265(14) 0.34307(13) 0.0519(6) Uani 1 1 d U . .
C12 C 0.88593(18) 0.43092(16) 0.38467(15) 0.0675(7) Uani 1 1 d U . .
H12A H 0.9514 0.4096 0.3972 0.101 Uiso 1 1 calc R . .
H12B H 0.8739 0.4683 0.4227 0.101 Uiso 1 1 calc R . .
H12C H 0.8779 0.4609 0.3389 0.101 Uiso 1 1 calc R . .
C13 C 0.82717(19) 0.30783(19) 0.44847(12) 0.0674(8) Uani 1 1 d U . .
H13A H 0.7889 0.2573 0.4408 0.101 Uiso 1 1 calc R . .
H13B H 0.8064 0.3412 0.4858 0.101 Uiso 1 1 calc R . .
H13C H 0.8948 0.2935 0.4638 0.101 Uiso 1 1 calc R . .
C14 C 0.6819(2) 0.47580(17) 0.34598(19) 0.0866(10) Uani 1 1 d U . .
H14A H 0.7259 0.5076 0.3227 0.130 Uiso 1 1 calc R . .
H14B H 0.6885 0.4932 0.3964 0.130 Uiso 1 1 calc R . .
H14C H 0.6160 0.4853 0.3207 0.130 Uiso 1 1 calc R . .
C15 C 0.62879(18) 0.3298(2) 0.37258(17) 0.0835(9) Uani 1 1 d U . .
H15A H 0.5652 0.3413 0.3439 0.125 Uiso 1 1 calc R . .
H15B H 0.6298 0.3441 0.4231 0.125 Uiso 1 1 calc R . .
H15C H 0.6434 0.2711 0.3691 0.125 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'
N N 0.0061 0.0033 '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'
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'
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
O6 Cl1 O8 114.3(3) . . ?
O6 Cl1 O5 119.9(3) . . ?
O8 Cl1 O5 110.3(2) . . ?
O6 Cl1 O7 106.6(3) . . ?
O8 Cl1 O7 104.31(18) . . ?
O5 Cl1 O7 99.0(2) . . ?
O3 Ni1 O1 90.18(4) . . ?
O3 Ni1 O1 90.18(4) . 2_755 ?
O1 Ni1 O1 179.64(7) . 2_755 ?
O3 Ni1 O4 180.0 . . ?
O1 Ni1 O4 89.82(4) . . ?
O1 Ni1 O4 89.82(4) 2_755 . ?
O3 Ni1 N1 86.98(4) . 2_755 ?
O1 Ni1 N1 92.44(6) . 2_755 ?
O1 Ni1 N1 87.58(6) 2_755 2_755 ?
O4 Ni1 N1 93.02(4) . 2_755 ?
O3 Ni1 N1 86.98(4) . . ?
O1 Ni1 N1 87.58(6) . . ?
O1 Ni1 N1 92.44(6) 2_755 . ?
O4 Ni1 N1 93.02(4) . . ?
N1 Ni1 N1 173.97(8) 2_755 . ?
N3 O1 Ni1 117.84(11) . . ?
Ni1 O3 H1W 123.5 . . ?
Ni1 O4 H2W 126.4 . . ?
H4W O9 H3W 109.0 . . ?
C7 N1 C1 104.81(15) . . ?
C7 N1 Ni1 122.88(12) . . ?
C1 N1 Ni1 127.96(12) . . ?
C7 N2 C2 106.32(16) . . ?
C7 N2 C8 129.62(19) . . ?
C2 N2 C8 123.63(17) . . ?
O1 N3 C9 125.62(15) . . ?
O1 N3 C10 121.06(14) . . ?
C9 N3 C10 113.31(15) . . ?
O2 N4 C9 124.82(18) . . ?
O2 N4 C11 122.99(17) . . ?
C9 N4 C11 112.06(15) . . ?
C2 C1 N1 108.89(17) . . ?
C2 C1 C6 120.81(17) . . ?
N1 C1 C6 130.30(17) . . ?
N2 C2 C1 106.94(16) . . ?
N2 C2 C3 131.0(2) . . ?
C1 C2 C3 122.0(2) . . ?
C4 C3 C2 116.5(2) . . ?
C4 C3 H3A 121.7 . . ?
C2 C3 H3A 121.7 . . ?
C3 C4 C5 121.9(2) . . ?
C3 C4 H4A 119.1 . . ?
C5 C4 H4A 119.1 . . ?
C6 C5 C4 121.9(2) . . ?
C6 C5 H5 119.1 . . ?
C4 C5 H5 119.1 . . ?
C5 C6 C1 116.9(2) . . ?
C5 C6 H6 121.6 . . ?
C1 C6 H6 121.6 . . ?
N1 C7 N2 113.02(17) . . ?
N1 C7 C9 121.34(15) . . ?
N2 C7 C9 125.60(17) . . ?
N2 C8 H8A 109.5 . . ?
N2 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
N2 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N3 C9 N4 109.10(16) . . ?
N3 C9 C7 123.33(16) . . ?
N4 C9 C7 127.49(16) . . ?
N3 C10 C13 107.74(18) . . ?
N3 C10 C12 107.16(17) . . ?
C13 C10 C12 110.22(18) . . ?
N3 C10 C11 100.98(15) . . ?
C13 C10 C11 115.67(19) . . ?
C12 C10 C11 114.13(18) . . ?
N4 C11 C14 109.2(2) . . ?
N4 C11 C15 105.83(19) . . ?
C14 C11 C15 110.1(2) . . ?
N4 C11 C10 101.55(16) . . ?
C14 C11 C10 115.75(19) . . ?
C15 C11 C10 113.50(19) . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C10 C13 H13A 109.5 . . ?
C10 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C10 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C11 C14 H14A 109.5 . . ?
C11 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C11 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C11 C15 H15A 109.5 . . ?
C11 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C11 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
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
Cl1 O6 1.371(4) . ?
Cl1 O8 1.428(3) . ?
Cl1 O5 1.439(4) . ?
Cl1 O7 1.509(3) . ?
Ni1 O3 2.0382(19) . ?
Ni1 O1 2.0579(14) . ?
Ni1 O1 2.0579(14) 2_755 ?
Ni1 O4 2.0706(19) . ?
Ni1 N1 2.0914(15) 2_755 ?
Ni1 N1 2.0915(15) . ?
O1 N3 1.2973(19) . ?
O2 N4 1.275(2) . ?
O3 H1W 0.8282 . ?
O4 H2W 0.8333 . ?
O9 H4W 0.8452 . ?
O9 H3W 0.8375 . ?
N1 C7 1.334(2) . ?
N1 C1 1.396(2) . ?
N2 C7 1.355(2) . ?
N2 C2 1.377(3) . ?
N2 C8 1.470(3) . ?
N3 C9 1.339(2) . ?
N3 C10 1.500(3) . ?
N4 C9 1.348(2) . ?
N4 C11 1.502(3) . ?
C1 C2 1.390(3) . ?
C1 C6 1.397(3) . ?
C2 C3 1.405(3) . ?
C3 C4 1.367(4) . ?
C3 H3A 0.9300 . ?
C4 C5 1.399(4) . ?
C4 H4A 0.9300 . ?
C5 C6 1.381(3) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C9 1.454(3) . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C10 C13 1.521(3) . ?
C10 C12 1.532(3) . ?
C10 C11 1.565(3) . ?
C11 C14 1.522(4) . ?
C11 C15 1.545(4) . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O9 H3W O2 0.84 1.96 2.795(3) 171.0 4_645
O9 H4W O5 0.85 2.66 3.428(5) 152.5 3_545
O9 H4W O7 0.85 2.34 2.951(4) 130.0 3_545
O9 H4W O7' 0.85 2.16 2.886(6) 144.4 3_545
O4 H2W O8' 0.83 2.11 2.942(6) 174.4 1_655
O4 H2W O8 0.83 1.96 2.792(3) 173.3 1_655
O3 H1W O9 0.83 1.90 2.713(2) 166.1 .
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
O3 Ni1 O1 N3 -128.83(11) . . . . ?
O1 Ni1 O1 N3 50.87(18) 2_755 . . . ?
O4 Ni1 O1 N3 51.17(11) . . . . ?
N1 Ni1 O1 N3 144.18(12) 2_755 . . . ?
N1 Ni1 O1 N3 -41.86(12) . . . . ?
O3 Ni1 N1 C7 101.41(13) . . . . ?
O1 Ni1 N1 C7 11.10(14) . . . . ?
O1 Ni1 N1 C7 -168.54(13) 2_755 . . . ?
O4 Ni1 N1 C7 -78.59(13) . . . . ?
N1 Ni1 N1 C7 101.43(13) 2_755 . . . ?
O3 Ni1 N1 C1 -51.51(15) . . . . ?
O1 Ni1 N1 C1 -141.82(15) . . . . ?
O1 Ni1 N1 C1 38.54(15) 2_755 . . . ?
O4 Ni1 N1 C1 128.49(15) . . . . ?
N1 Ni1 N1 C1 -51.50(15) 2_755 . . . ?
Ni1 O1 N3 C9 45.4(2) . . . . ?
Ni1 O1 N3 C10 -132.92(14) . . . . ?
C7 N1 C1 C2 -0.13(19) . . . . ?
Ni1 N1 C1 C2 156.57(13) . . . . ?
C7 N1 C1 C6 -178.9(2) . . . . ?
Ni1 N1 C1 C6 -22.2(3) . . . . ?
C7 N2 C2 C1 1.3(2) . . . . ?
C8 N2 C2 C1 -171.83(18) . . . . ?
C7 N2 C2 C3 -179.5(2) . . . . ?
C8 N2 C2 C3 7.3(3) . . . . ?
N1 C1 C2 N2 -0.8(2) . . . . ?
C6 C1 C2 N2 178.18(17) . . . . ?
N1 C1 C2 C3 -179.99(18) . . . . ?
C6 C1 C2 C3 -1.1(3) . . . . ?
N2 C2 C3 C4 -179.0(2) . . . . ?
C1 C2 C3 C4 0.1(3) . . . . ?
C2 C3 C4 C5 1.0(3) . . . . ?
C3 C4 C5 C6 -1.1(4) . . . . ?
C4 C5 C6 C1 0.1(3) . . . . ?
C2 C1 C6 C5 0.9(3) . . . . ?
N1 C1 C6 C5 179.63(19) . . . . ?
C1 N1 C7 N2 1.0(2) . . . . ?
Ni1 N1 C7 N2 -157.18(12) . . . . ?
C1 N1 C7 C9 178.69(16) . . . . ?
Ni1 N1 C7 C9 20.5(2) . . . . ?
C2 N2 C7 N1 -1.5(2) . . . . ?
C8 N2 C7 N1 171.09(19) . . . . ?
C2 N2 C7 C9 -179.06(17) . . . . ?
C8 N2 C7 C9 -6.5(3) . . . . ?
O1 N3 C9 N4 179.35(16) . . . . ?
C10 N3 C9 N4 -2.2(2) . . . . ?
O1 N3 C9 C7 -3.7(3) . . . . ?
C10 N3 C9 C7 174.71(17) . . . . ?
O2 N4 C9 N3 174.33(17) . . . . ?
11 N4 C9 N3 -9.8(2) . . . . ?
O2 N4 C9 C7 -2.4(3) . . . . ?
C11 N4 C9 C7 173.50(18) . . . . ?
N1 C7 C9 N3 -33.5(3) . . . . ?
2 C7 C9 N3 143.84(19) . . . . ?
N1 C7 C9 N4 142.80(19) . . . . ?
N2 C7 C9 N4 -39.8(3) . . . . ?
O1 N3 C10 C13 -47.7(2) . . . . ?
C9 N3 C10 C13 133.81(18) . . . . ?
O1 N3 C10 C12 70.9(2) . . . . ?
C9 N3 C10 C12 -107.60(19) . . . . ?
O1 N3 C10 C11 -169.36(16) . . . . ?
C9 N3 C10 C11 12.1(2) . . . . ?
O2 N4 C11 C14 -44.7(3) . . . . ?
C9 N4 C11 C14 139.3(2) . . . . ?
O2 N4 C11 C15 73.8(2) . . . . ?
C9 N4 C11 C15 -102.2(2) . . . . ?
O2 N4 C11 C10 -167.41(17) . . . . ?
C9 N4 C11 C10 16.6(2) . . . . ?
N3 C10 C11 N4 -15.81(19) . . . . ?
C13 C10 C11 N4 -131.76(19) . . . . ?
C12 C10 C11 N4 98.8(2) . . . . ?
N3 C10 C11 C14 -133.9(2) . . . . ?
C13 C10 C11 C14 110.1(3) . . . . ?
C12 C10 C11 C14 -19.3(3) . . . . ?
N3 C10 C11 C15 97.3(2) . . . . ?
C13 C10 C11 C15 -18.7(3) . . . . ?
C12 C10 C11 C15 -148.1(2) . . . . ?
