#------------------------------------------------------------------------------
#$Date: 2018-09-26 06:29:44 +0300 (Wed, 26 Sep 2018) $
#$Revision: 211175 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/27/8102759.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_8102759
loop_
_publ_author_name
'Chao-Jun He'
'Min Wang'
'Tian-You Yang'
'Jing Tian'
_publ_section_title
;
 Crystal structure of
 diaquabis{2-[2'-(1'-methylbenzimidazolyl)]-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide}mangan(II)
 bisperchlorate dihydrate, [Mn(H2O)2(C15H19N4O2)2](ClO4)2 · 2H2O
;
_journal_issue                   3
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              582
_journal_volume                  225
_journal_year                    2010
_chemical_formula_sum            'C30 H44 Cl2 Mn N8 O15'
_chemical_formula_weight         882.57
_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                 99.891(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.227(3)
_cell_length_b                   15.892(3)
_cell_length_c                   18.547(4)
_cell_measurement_reflns_used    5809
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      26.44
_cell_measurement_theta_min      2.36
_cell_volume                     4131.1(15)
_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 0.994
_diffrn_measured_fraction_theta_max 0.994
_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  0.0211
_diffrn_reflns_av_sigmaI/netI    0.0187
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            14022
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.36
_exptl_absorpt_coefficient_mu    0.525
_exptl_absorpt_correction_T_max  0.8738
_exptl_absorpt_correction_T_min  0.8237
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_density_diffrn    1.445
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1868
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.26
_refine_diff_density_max         0.704
_refine_diff_density_min         -0.805
_refine_diff_density_rms         0.065
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     277
_refine_ls_number_reflns         3828
_refine_ls_number_restraints     238
_refine_ls_restrained_S_all      1.170
_refine_ls_R_factor_all          0.0634
_refine_ls_R_factor_gt           0.0550
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0911P)²+9.7252P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1579
_refine_ls_wR_factor_ref         0.1678
_reflns_number_gt                3257
_reflns_number_total             3828
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1267-3054.cff
_cod_data_source_block           c
_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.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed
to 'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from
2010-06-29.

'_refine_ls_hydrogen_treatment' value 'CONSTR' changed to
'constr' 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        4131.0(14)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               8102759
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 0.34404(5) 0.06778(4) 0.65539(4) 0.0848(2) Uani 0.590(2) 1 d PDU A 1
O4 O 0.4224(2) 0.0976(3) 0.6323(2) 0.1444(11) Uani 0.590(2) 1 d PDU A 1
O5 O 0.3449(3) -0.01844(16) 0.6754(2) 0.1155(10) Uani 0.590(2) 1 d PDU A 1
O6 O 0.3089(3) 0.1185(2) 0.71131(17) 0.1349(11) Uani 0.590(2) 1 d PDU A 1
O7 O 0.2589(2) 0.07749(17) 0.59401(14) 0.0824(7) Uani 0.590(2) 1 d PDU A 1
Cl1' Cl 0.34404(5) 0.06778(4) 0.65539(4) 0.0848(2) Uani 0.410(2) 1 d PDU A 2
O4' O 0.4213(3) 0.1128(3) 0.6995(2) 0.1444(11) Uani 0.410(2) 1 d PDU A 2
O5' O 0.2651(2) 0.1124(2) 0.6254(3) 0.1155(10) Uani 0.410(2) 1 d PDU A 2
O6' O 0.3931(3) 0.0461(3) 0.58952(19) 0.1349(11) Uani 0.410(2) 1 d PDU A 2
O7' O 0.3283(3) -0.01172(19) 0.6857(2) 0.0824(7) Uani 0.410(2) 1 d PDU A 2
Mn1 Mn 1.0000 0.74263(2) 0.2500 0.03208(8) Uani 1 2 d S . .
O1 O 1.0000 0.87659(11) 0.2500 0.0534(5) Uani 1 2 d S . .
H1 H 0.9750 0.8938 0.2839 0.080 Uiso 1 1 d PR . .
O2 O 1.0000 0.60555(11) 0.2500 0.0511(5) Uani 1 2 d S . .
H2 H 1.0477 0.5884 0.2772 0.077 Uiso 1 1 d PR . .
O3 O 0.91721(13) 0.96135(12) 0.34976(10) 0.0894(6) Uani 1 1 d . . .
H1W H 0.9012 1.0115 0.3357 0.134 Uiso 1 1 d R . .
H2W H 0.8670 0.9391 0.3602 0.134 Uiso 1 1 d R . .
O8 O 0.90417(8) 0.74338(7) 0.32835(6) 0.0401(3) Uani 1 1 d . . .
O9 O 0.62569(9) 0.62264(9) 0.20819(9) 0.0627(4) Uani 1 1 d . . .
N1 N 0.86420(9) 0.74860(8) 0.16864(7) 0.0354(3) Uani 1 1 d . . .
N2 N 0.70894(10) 0.77969(9) 0.13866(8) 0.0409(4) Uani 1 1 d . . .
N3 N 0.82709(9) 0.69845(8) 0.31579(7) 0.0355(3) Uani 1 1 d . . .
N4 N 0.69282(9) 0.64363(9) 0.26021(8) 0.0435(4) Uani 1 1 d . . .
C1 C 0.84982(12) 0.79540(10) 0.10408(9) 0.0386(4) Uani 1 1 d . . .
C2 C 0.91492(14) 0.82401(12) 0.06163(10) 0.0505(5) Uani 1 1 d . . .
H2A H 0.9797 0.8122 0.0741 0.061 Uiso 1 1 calc R . .
C3 C 0.87947(17) 0.87062(14) 0.00021(10) 0.0611(6) Uani 1 1 d . . .
H3 H 0.9213 0.8910 -0.0291 0.073 Uiso 1 1 calc R . .
C4 C 0.78231(18) 0.88790(13) -0.01896(11) 0.0630(7) Uani 1 1 d . . .
H4 H 0.7611 0.9187 -0.0613 0.076 Uiso 1 1 calc R . .
C5 C 0.71729(15) 0.86122(12) 0.02226(10) 0.0540(5) Uani 1 1 d . . .
H5 H 0.6526 0.8734 0.0094 0.065 Uiso 1 1 calc R . .
C6 C 0.75328(12) 0.81437(10) 0.08514(9) 0.0408(4) Uani 1 1 d . . .
C7 C 0.77863(11) 0.74057(9) 0.18658(9) 0.0342(4) Uani 1 1 d . . .
C8 C 0.60846(13) 0.79307(14) 0.14414(13) 0.0589(6) Uani 1 1 d . . .
H8A H 0.5996 0.7834 0.1936 0.088 Uiso 1 1 calc R . .
H8B H 0.5693 0.7547 0.1120 0.088 Uiso 1 1 calc R . .
H8C H 0.5907 0.8499 0.1304 0.088 Uiso 1 1 calc R . .
C9 C 0.76484(11) 0.69607(10) 0.25274(9) 0.0358(4) Uani 1 1 d . . .
C10 C 0.80124(12) 0.64002(12) 0.37276(9) 0.0443(5) Uani 1 1 d . . .
C11 C 0.69669(13) 0.61690(13) 0.33863(11) 0.0518(5) Uani 1 1 d . . .
C12 C 0.81307(18) 0.68793(17) 0.44466(11) 0.0720(7) Uani 1 1 d . . .
H12A H 0.8794 0.6999 0.4611 0.108 Uiso 1 1 calc R . .
H12B H 0.7893 0.6544 0.4807 0.108 Uiso 1 1 calc R . .
H12C H 0.7780 0.7397 0.4376 0.108 Uiso 1 1 calc R . .
C13 C 0.87022(16) 0.56538(14) 0.37858(13) 0.0708(6) Uani 1 1 d . . .
H13A H 0.8613 0.5357 0.3329 0.106 Uiso 1 1 calc R . .
H13B H 0.8579 0.5282 0.4166 0.106 Uiso 1 1 calc R . .
H13C H 0.9347 0.5855 0.3899 0.106 Uiso 1 1 calc R . .
C14 C 0.6713(2) 0.52434(15) 0.34088(15) 0.0854(8) Uani 1 1 d . . .
H14A H 0.6074 0.5158 0.3153 0.128 Uiso 1 1 calc R . .
H14B H 0.6755 0.5067 0.3908 0.128 Uiso 1 1 calc R . .
H14C H 0.7148 0.4919 0.3179 0.128 Uiso 1 1 calc R . .
C15 C 0.62113(16) 0.6711(2) 0.36780(15) 0.0867(9) Uani 1 1 d . . .
H15A H 0.6349 0.7296 0.3620 0.130 Uiso 1 1 calc R . .
H15B H 0.6226 0.6590 0.4187 0.130 Uiso 1 1 calc R . .
H15C H 0.5590 0.6583 0.3408 0.130 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'
Mn Mn 0.3368 0.7283 '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
O4 Cl1 O5 116.9(2) . . ?
O4 Cl1 O6 115.6(2) . . ?
O5 Cl1 O6 109.5(2) . . ?
O4 Cl1 O7 108.8(2) . . ?
O5 Cl1 O7 105.28(18) . . ?
O6 Cl1 O7 98.57(18) . . ?
O1 Mn1 O8 89.68(3) . 2_755 ?
O1 Mn1 O8 89.68(3) . . ?
O8 Mn1 O8 179.37(6) 2_755 . ?
O1 Mn1 O2 180.0 . . ?
O8 Mn1 O2 90.32(3) 2_755 . ?
O8 Mn1 O2 90.32(3) . . ?
O1 Mn1 N1 87.57(3) . 2_755 ?
O8 Mn1 N1 83.21(5) 2_755 2_755 ?
O8 Mn1 N1 96.76(5) . 2_755 ?
O2 Mn1 N1 92.43(3) . 2_755 ?
O1 Mn1 N1 87.57(3) . . ?
O8 Mn1 N1 96.77(5) 2_755 . ?
O8 Mn1 N1 83.21(5) . . ?
O2 Mn1 N1 92.43(3) . . ?
N1 Mn1 N1 175.15(7) 2_755 . ?
Mn1 O1 H1 109.5 . . ?
Mn1 O2 H2 109.5 . . ?
H1W O3 H2W 105.6 . . ?
N3 O8 Mn1 119.29(9) . . ?
C7 N1 C1 105.18(13) . . ?
C7 N1 Mn1 123.46(11) . . ?
C1 N1 Mn1 125.69(11) . . ?
C7 N2 C6 106.28(14) . . ?
C7 N2 C8 129.04(16) . . ?
C6 N2 C8 124.33(15) . . ?
O8 N3 C9 125.75(13) . . ?
O8 N3 C10 121.14(12) . . ?
C9 N3 C10 113.08(13) . . ?
O9 N4 C9 124.50(15) . . ?
O9 N4 C11 123.56(14) . . ?
C9 N4 C11 111.81(13) . . ?
C2 C1 C6 120.72(15) . . ?
C2 C1 N1 130.28(16) . . ?
C6 C1 N1 108.98(15) . . ?
C3 C2 C1 117.28(19) . . ?
C3 C2 H2A 121.4 . . ?
C1 C2 H2A 121.4 . . ?
C2 C3 C4 121.5(2) . . ?
C2 C3 H3 119.3 . . ?
C4 C3 H3 119.3 . . ?
C5 C4 C3 122.25(18) . . ?
C5 C4 H4 118.9 . . ?
C3 C4 H4 118.9 . . ?
C4 C5 C6 116.39(19) . . ?
C4 C5 H5 121.8 . . ?
C6 C5 H5 121.8 . . ?
N2 C6 C1 106.59(14) . . ?
N2 C6 C5 131.54(17) . . ?
C1 C6 C5 121.87(18) . . ?
N1 C7 N2 112.96(14) . . ?
N1 C7 C9 121.42(13) . . ?
N2 C7 C9 125.59(15) . . ?
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 109.15(14) . . ?
N3 C9 C7 123.77(14) . . ?
N4 C9 C7 126.98(14) . . ?
N3 C10 C12 107.73(16) . . ?
N3 C10 C13 107.32(15) . . ?
C12 C10 C13 110.68(16) . . ?
N3 C10 C11 101.10(13) . . ?
C12 C10 C11 115.40(17) . . ?
C13 C10 C11 113.69(16) . . ?
N4 C11 C14 109.29(17) . . ?
N4 C11 C15 105.57(16) . . ?
C14 C11 C15 110.3(2) . . ?
N4 C11 C10 101.52(14) . . ?
C14 C11 C10 115.66(17) . . ?
C15 C11 C10 113.55(17) . . ?
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 O4 1.347(3) . ?
Cl1 O5 1.419(3) . ?
Cl1 O6 1.467(3) . ?
Cl1 O7 1.521(2) . ?
Mn1 O1 2.1288(18) . ?
Mn1 O8 2.1566(12) 2_755 ?
Mn1 O8 2.1567(12) . ?
Mn1 O2 2.1784(18) . ?
Mn1 N1 2.2399(13) 2_755 ?
Mn1 N1 2.2399(13) . ?
O1 H1 0.8200 . ?
O2 H2 0.8200 . ?
O3 H1W 0.8576 . ?
O3 H2W 0.8484 . ?
O8 N3 1.2957(17) . ?
O9 N4 1.2798(19) . ?
N1 C7 1.322(2) . ?
N1 C1 1.395(2) . ?
N2 C7 1.363(2) . ?
N2 C6 1.379(2) . ?
N2 C8 1.466(2) . ?
N3 C9 1.3407(19) . ?
N3 C10 1.499(2) . ?
N4 C9 1.346(2) . ?
N4 C11 1.507(2) . ?
C1 C2 1.391(3) . ?
C1 C6 1.391(2) . ?
C2 C3 1.380(3) . ?
C2 H2A 0.9300 . ?
C3 C4 1.394(3) . ?
C3 H3 0.9300 . ?
C4 C5 1.365(3) . ?
C4 H4 0.9300 . ?
C5 C6 1.404(2) . ?
C5 H5 0.9300 . ?
C7 C9 1.458(2) . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C10 C12 1.520(3) . ?
C10 C13 1.531(3) . ?
C10 C11 1.557(2) . ?
C11 C14 1.517(3) . ?
C11 C15 1.546(3) . ?
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
O1 H1 O3 0.82 1.92 2.716(2) 165.0 .
O2 H2 O5 0.82 1.97 2.766(3) 163.6 7_656
O2 H2 O7' 0.82 2.16 2.935(4) 158.5 7_656
O3 H1W O9 0.86 1.95 2.806(2) 171.8 4_655
O3 H2W O7 0.85 2.13 2.940(4) 160.5 5_666
O3 H2W O5' 0.85 2.11 2.954(4) 173.7 5_666
O3 H2W Cl1 0.85 2.97 3.730(2) 150.4 5_666
O3 H2W Cl1' 0.85 2.97 3.730(2) 150.4 5_666
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
O1 Mn1 O8 N3 129.42(10) . . . . ?
O8 Mn1 O8 N3 129.44(13) 2_755 . . . ?
O2 Mn1 O8 N3 -50.58(10) . . . . ?
N1 Mn1 O8 N3 -143.06(10) 2_755 . . . ?
N1 Mn1 O8 N3 41.83(10) . . . . ?
O1 Mn1 N1 C7 -98.27(12) . . . . ?
O8 Mn1 N1 C7 172.34(12) 2_755 . . . ?
O8 Mn1 N1 C7 -8.30(12) . . . . ?
O2 Mn1 N1 C7 81.73(12) . . . . ?
N1 Mn1 N1 C7 -98.26(12) 2_755 . . . ?
O1 Mn1 N1 C1 51.19(13) . . . . ?
O8 Mn1 N1 C1 -38.20(13) 2_755 . . . ?
O8 Mn1 N1 C1 141.16(13) . . . . ?
O2 Mn1 N1 C1 -128.81(13) . . . . ?
N1 Mn1 N1 C1 51.20(13) 2_755 . . . ?
Mn1 O8 N3 C9 -47.92(19) . . . . ?
Mn1 O8 N3 C10 129.87(12) . . . . ?
C7 N1 C1 C2 178.56(18) . . . . ?
Mn1 N1 C1 C2 24.6(3) . . . . ?
C7 N1 C1 C6 0.08(18) . . . . ?
Mn1 N1 C1 C6 -153.86(11) . . . . ?
C6 C1 C2 C3 -0.7(3) . . . . ?
N1 C1 C2 C3 -179.08(18) . . . . ?
C1 C2 C3 C4 -0.5(3) . . . . ?
C2 C3 C4 C5 1.2(3) . . . . ?
C3 C4 C5 C6 -0.6(3) . . . . ?
C7 N2 C6 C1 -0.90(18) . . . . ?
C8 N2 C6 C1 172.82(16) . . . . ?
C7 N2 C6 C5 179.71(18) . . . . ?
C8 N2 C6 C5 -6.6(3) . . . . ?
C2 C1 C6 N2 -178.13(16) . . . . ?
N1 C1 C6 N2 0.52(18) . . . . ?
C2 C1 C6 C5 1.3(3) . . . . ?
N1 C1 C6 C5 179.98(15) . . . . ?
C4 C5 C6 N2 178.68(18) . . . . ?
C4 C5 C6 C1 -0.6(3) . . . . ?
C1 N1 C7 N2 -0.68(18) . . . . ?
Mn1 N1 C7 N2 154.00(11) . . . . ?
C1 N1 C7 C9 -178.85(14) . . . . ?
Mn1 N1 C7 C9 -24.2(2) . . . . ?
C6 N2 C7 N1 1.02(18) . . . . ?
C8 N2 C7 N1 -172.31(17) . . . . ?
C6 N2 C7 C9 179.09(15) . . . . ?
C8 N2 C7 C9 5.8(3) . . . . ?
O8 N3 C9 N4 -178.99(14) . . . . ?
C10 N3 C9 N4 3.06(19) . . . . ?
O8 N3 C9 C7 4.2(2) . . . . ?
C10 N3 C9 C7 -173.77(15) . . . . ?
O9 N4 C9 N3 -174.35(15) . . . . ?
C11 N4 C9 N3 9.55(19) . . . . ?
O9 N4 C9 C7 2.3(3) . . . . ?
C11 N4 C9 C7 -173.75(16) . . . . ?
N1 C7 C9 N3 36.3(2) . . . . ?
N2 C7 C9 N3 -141.65(17) . . . . ?
N1 C7 C9 N4 -139.98(17) . . . . ?
N2 C7 C9 N4 42.1(3) . . . . ?
O8 N3 C10 C12 47.2(2) . . . . ?
C9 N3 C10 C12 -134.77(16) . . . . ?
O8 N3 C10 C13 -72.04(19) . . . . ?
C9 N3 C10 C13 106.01(16) . . . . ?
O8 N3 C10 C11 168.62(14) . . . . ?
C9 N3 C10 C11 -13.33(18) . . . . ?
O9 N4 C11 C14 44.0(2) . . . . ?
C9 N4 C11 C14 -139.81(17) . . . . ?
O9 N4 C11 C15 -74.6(2) . . . . ?
C9 N4 C11 C15 101.53(18) . . . . ?
O9 N4 C11 C10 166.71(16) . . . . ?
C9 N4 C11 C10 -17.15(19) . . . . ?
N3 C10 C11 N4 16.79(16) . . . . ?
C12 C10 C11 N4 132.69(17) . . . . ?
C13 C10 C11 N4 -97.87(18) . . . . ?
N3 C10 C11 C14 134.96(19) . . . . ?
C12 C10 C11 C14 -109.1(2) . . . . ?
C13 C10 C11 C14 20.3(3) . . . . ?
N3 C10 C11 C15 -96.01(19) . . . . ?
C12 C10 C11 C15 19.9(3) . . . . ?
C13 C10 C11 C15 149.32(19) . . . . ?
