#------------------------------------------------------------------------------
#$Date: 2018-10-05 15:19:55 +0300 (Fri, 05 Oct 2018) $
#$Revision: 211332 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/32/25/4322514.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_4322514
loop_
_publ_author_name
'Morsy A. M. Abu-Youssef'
'Albert Escuer'
'Dante Gatteschi'
'Mohamed A. S. Goher'
'Franz A. Mautner'
'Ramon Vicente'
_publ_section_title
;
 Synthesis, Structural Characterization, Magnetic Behavior, and Single
 Crystal EPR Spectra of Three New One-Dimensional Manganese Azido Systems
 with FM, Alternating FM-AF, and AF Coupling
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5716
_journal_page_last               5723
_journal_paper_doi               10.1021/ic990656x
_journal_volume                  38
_journal_year                    1999
_chemical_formula_sum            'C24 H18 Mn N8 O2'
_chemical_formula_weight         505.40
_chemical_name_common            '[Mn(3-Benzoyl-pyridine)2(N3)2]n'
_chemical_name_systematic
;
 ?
;
_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     heavy
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 97.81(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   14.179(5)
_cell_length_b                   9.698(4)
_cell_length_c                   34.351(12)
_cell_measurement_reflns_used    33
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      19
_cell_measurement_theta_min      8
_cell_volume                     4680(3)
_computing_molecular_graphics    'SHELXTL/PC v.5.0 (Siemens Ind. Aut.)'
_computing_publication_material  'SHELXTL/PC v.5.0 (Siemens Ind. Aut.)'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      295(2)
_diffrn_measurement_device       'mod. STOE 4-circle diffractometer'
_diffrn_measurement_method       'Omega-scan, delta Omega: 1.30 deg.'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0299
_diffrn_reflns_av_sigmaI/netI    0.0888
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_number            4921
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.90
_diffrn_standards_decay_%        2
_diffrn_standards_interval_count 100
_diffrn_standards_interval_time  '75 min'
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.603
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.723
_exptl_absorpt_correction_type   DIFABS
_exptl_crystal_colour            'transp. yellow'
_exptl_crystal_density_diffrn    1.435
_exptl_crystal_density_meas      1.43(2)
_exptl_crystal_density_method    'suspension method'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2072
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.209
_refine_diff_density_min         -0.218
_refine_diff_density_rms         0.051
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.045
_refine_ls_goodness_of_fit_obs   1.158
_refine_ls_hydrogen_treatment    refU
_refine_ls_matrix_type           full
_refine_ls_number_parameters     320
_refine_ls_number_reflns         4229
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.045
_refine_ls_restrained_S_obs      1.158
_refine_ls_R_factor_all          0.1086
_refine_ls_R_factor_obs          0.0555
_refine_ls_shift/esd_max         -0.001
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0231P)²+1.8962P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1071
_refine_ls_wR_factor_obs         0.0928
_reflns_number_observed          2690
_reflns_number_total             4229
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic990656x_3.cif
_cod_data_source_block           gh18
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0231P)^2^+1.8962P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0231P)^2^+1.8962P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 

The following automatic conversions were performed:

'_atom_sites_solution_primary' value 'heavy atom method' was changed
to 'heavy'.

Automatic conversion script
Id: cif_fix_values 6452 2018-10-05 10:23:21Z andrius 
;
_cod_original_cell_volume        4679.7(30)
_cod_database_code               4322514
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Mn1 Mn 0.64818(3) 0.33712(6) 0.005857(14) 0.0352(2) Uani 1 d . .
N11 N 0.6965(2) 0.1562(3) -0.02622(8) 0.0400(7) Uani 1 d . .
N12 N 0.6648(2) 0.1112(3) -0.05724(10) 0.0437(8) Uani 1 d . .
N13 N 0.6342(3) 0.0682(5) -0.08777(11) 0.0831(13) Uani 1 d . .
N21 N 0.4983(2) 0.3067(3) -0.02257(9) 0.0483(8) Uani 1 d . .
N22 N 0.4422(2) 0.3945(3) -0.03151(8) 0.0342(7) Uani 1 d . .
N23 N 0.3843(2) 0.4783(3) -0.04110(9) 0.0476(8) Uani 1 d . .
N1 N 0.6616(2) 0.4919(3) -0.04413(8) 0.0407(7) Uani 1 d . .
C1 C 0.6316(2) 0.4588(4) -0.08163(10) 0.0408(9) Uani 1 d . .
H1 H 0.6127(2) 0.3684(4) -0.08722(10) 0.058(6) Uiso 1 calc R .
C2 C 0.6269(2) 0.5510(4) -0.11252(10) 0.0420(9) Uani 1 d . .
C3 C 0.6542(3) 0.6853(4) -0.10432(12) 0.0577(11) Uani 1 d . .
H3 H 0.6512(3) 0.7505(4) -0.12431(12) 0.058(6) Uiso 1 calc R .
C4 C 0.6859(3) 0.7213(5) -0.06626(12) 0.0665(12) Uani 1 d . .
H4 H 0.7053(3) 0.8111(5) -0.05999(12) 0.058(6) Uiso 1 calc R .
C5 C 0.6885(3) 0.6228(4) -0.03759(11) 0.0553(11) Uani 1 d . .
H5 H 0.7104(3) 0.6487(4) -0.01189(11) 0.058(6) Uiso 1 calc R .
C6 C 0.5968(3) 0.5052(4) -0.15403(11) 0.0518(10) Uani 1 d . .
O1 O 0.6415(2) 0.5437(4) -0.17948(8) 0.0947(13) Uani 1 d . .
C7 C 0.5118(2) 0.4147(4) -0.16246(9) 0.0418(9) Uani 1 d . .
C8 C 0.5005(3) 0.3371(5) -0.19679(10) 0.0545(10) Uani 1 d . .
H8 H 0.5462(3) 0.3406(5) -0.21376(10) 0.067(6) Uiso 1 calc R .
C9 C 0.4215(3) 0.2555(5) -0.20550(12) 0.0650(12) Uani 1 d . .
H9 H 0.4146(3) 0.2024(5) -0.22824(12) 0.067(6) Uiso 1 calc R .
C10 C 0.3525(3) 0.2512(5) -0.18114(13) 0.0667(13) Uani 1 d . .
H10 H 0.2987(3) 0.1966(5) -0.18753(13) 0.067(6) Uiso 1 calc R .
C11 C 0.3635(3) 0.3281(5) -0.14721(12) 0.0592(11) Uani 1 d . .
H11 H 0.3167(3) 0.3257(5) -0.13068(12) 0.067(6) Uiso 1 calc R .
C12 C 0.4429(2) 0.4083(4) -0.13756(11) 0.0466(10) Uani 1 d . .
H12 H 0.4505(2) 0.4585(4) -0.11427(11) 0.067(6) Uiso 1 calc R .
N2 N 0.6250(2) 0.2072(3) 0.05850(8) 0.0421(8) Uani 1 d . .
C13 C 0.6376(2) 0.2529(4) 0.09564(10) 0.0441(9) Uani 1 d . .
H13 H 0.6569(2) 0.3438(4) 0.10024(10) 0.077(7) Uiso 1 calc R .
C14 C 0.6234(3) 0.1717(5) 0.12762(11) 0.0518(10) Uani 1 d . .
C15 C 0.5951(3) 0.0380(5) 0.12035(13) 0.0657(13) Uani 1 d . .
H15 H 0.5830(3) -0.0188(5) 0.14091(13) 0.077(7) Uiso 1 calc R .
C16 C 0.5846(3) -0.0116(5) 0.08274(14) 0.0662(13) Uani 1 d . .
H16 H 0.5674(3) -0.1030(5) 0.07762(14) 0.077(7) Uiso 1 calc R .
C17 C 0.5998(3) 0.0756(4) 0.05252(13) 0.0548(11) Uani 1 d . .
H17 H 0.5922(3) 0.0413(4) 0.02699(13) 0.077(7) Uiso 1 calc R .
C18 C 0.6289(3) 0.2240(5) 0.16924(12) 0.0682(13) Uani 1 d . .
O2 O 0.5709(3) 0.1783(5) 0.18874(9) 0.1123(14) Uani 1 d . .
C19 C 0.7008(3) 0.3263(5) 0.18600(11) 0.0594(11) Uani 1 d . .
C20 C 0.6873(4) 0.3939(5) 0.22059(12) 0.0724(14) Uani 1 d . .
H20 H 0.6338(4) 0.3745(5) 0.23258(12) 0.071(6) Uiso 1 calc R .
C21 C 0.7524(4) 0.4888(6) 0.23701(14) 0.086(2) Uani 1 d . .
H21 H 0.7427(4) 0.5335(6) 0.26009(14) 0.071(6) Uiso 1 calc R .
C22 C 0.8314(4) 0.5186(6) 0.21993(14) 0.084(2) Uani 1 d . .
H22 H 0.8749(4) 0.5837(6) 0.23123(14) 0.071(6) Uiso 1 calc R .
C23 C 0.8465(3) 0.4524(6) 0.18610(13) 0.0744(14) Uani 1 d . .
H23 H 0.9006(3) 0.4723(6) 0.17455(13) 0.071(6) Uiso 1 calc R .
C24 C 0.7820(3) 0.3562(5) 0.16907(12) 0.0638(12) Uani 1 d . .
H24 H 0.7928(3) 0.3112(5) 0.14618(12) 0.071(6) Uiso 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'
Mn Mn 0.3368 0.7283 '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'
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
N11 Mn1 N11 79.64(12) 7_655 . yes
N11 Mn1 N21 170.32(11) 7_655 . yes
N11 Mn1 N21 91.04(11) . . yes
N11 Mn1 N23 94.26(11) 7_655 5_665 yes
N11 Mn1 N23 173.89(11) . 5_665 yes
N21 Mn1 N23 95.07(11) . 5_665 yes
N11 Mn1 N2 90.59(11) 7_655 . yes
N11 Mn1 N2 92.56(11) . . yes
N21 Mn1 N2 92.45(11) . . yes
N23 Mn1 N2 87.15(12) 5_665 . yes
N11 Mn1 N1 92.09(11) 7_655 . yes
N11 Mn1 N1 94.71(11) . . yes
N21 Mn1 N1 86.03(11) . . yes
N23 Mn1 N1 85.78(12) 5_665 . yes
N2 Mn1 N1 172.60(10) . . yes
N12 N11 Mn1 122.3(2) . 7_655 yes
N12 N11 Mn1 129.1(2) . . yes
Mn1 N11 Mn1 100.36(12) 7_655 . yes
N13 N12 N11 179.3(4) . . yes
N22 N21 Mn1 126.0(2) . . yes
N23 N22 N21 177.6(3) . . yes
N22 N23 Mn1 126.1(2) . 5_665 yes
C5 N1 C1 115.8(3) . . ?
C5 N1 Mn1 122.9(3) . . ?
C1 N1 Mn1 120.8(2) . . ?
N1 C1 C2 124.0(4) . . ?
N1 C1 H1 118.0(2) . . ?
C2 C1 H1 118.0(2) . . ?
C3 C2 C1 118.2(3) . . ?
C3 C2 C6 120.7(3) . . ?
C1 C2 C6 121.1(4) . . ?
C4 C3 C2 118.9(4) . . ?
C4 C3 H3 120.6(3) . . ?
C2 C3 H3 120.6(2) . . ?
C5 C4 C3 118.9(4) . . ?
C5 C4 H4 120.6(2) . . ?
C3 C4 H4 120.6(3) . . ?
N1 C5 C4 124.3(4) . . ?
N1 C5 H5 117.9(2) . . ?
C4 C5 H5 117.9(2) . . ?
O1 C6 C7 122.2(4) . . ?
O1 C6 C2 119.2(4) . . ?
C7 C6 C2 118.6(3) . . ?
C12 C7 C8 119.4(4) . . ?
C12 C7 C6 121.8(3) . . ?
C8 C7 C6 118.8(3) . . ?
C9 C8 C7 119.7(4) . . ?
C9 C8 H8 120.2(2) . . ?
C7 C8 H8 120.2(2) . . ?
C10 C9 C8 120.9(4) . . ?
C10 C9 H9 119.6(3) . . ?
C8 C9 H9 119.6(2) . . ?
C9 C10 C11 119.5(4) . . ?
C9 C10 H10 120.2(3) . . ?
C11 C10 H10 120.2(3) . . ?
C12 C11 C10 120.5(4) . . ?
C12 C11 H11 119.8(2) . . ?
C10 C11 H11 119.8(3) . . ?
C11 C12 C7 120.1(4) . . ?
C11 C12 H12 120.0(2) . . ?
C7 C12 H12 120.0(2) . . ?
C17 N2 C13 117.5(3) . . ?
C17 N2 Mn1 118.3(3) . . ?
C13 N2 Mn1 124.2(3) . . ?
N2 C13 C14 123.5(4) . . ?
N2 C13 H13 118.3(2) . . ?
C14 C13 H13 118.3(2) . . ?
C15 C14 C13 117.6(4) . . ?
C15 C14 C18 117.8(4) . . ?
C13 C14 C18 124.4(4) . . ?
C14 C15 C16 119.8(4) . . ?
C14 C15 H15 120.1(3) . . ?
C16 C15 H15 120.1(3) . . ?
C15 C16 C17 119.2(4) . . ?
C15 C16 H16 120.4(3) . . ?
C17 C16 H16 120.4(3) . . ?
N2 C17 C16 122.4(4) . . ?
N2 C17 H17 118.8(2) . . ?
C16 C17 H17 118.8(3) . . ?
O2 C18 C19 120.9(4) . . ?
O2 C18 C14 116.6(5) . . ?
C19 C18 C14 122.5(4) . . ?
C24 C19 C20 118.5(5) . . ?
C24 C19 C18 122.8(4) . . ?
C20 C19 C18 118.6(4) . . ?
C21 C20 C19 120.2(5) . . ?
C21 C20 H20 119.9(3) . . ?
C19 C20 H20 119.9(3) . . ?
C22 C21 C20 120.8(5) . . ?
C22 C21 H21 119.6(3) . . ?
C20 C21 H21 119.6(3) . . ?
C21 C22 C23 119.9(5) . . ?
C21 C22 H22 120.0(3) . . ?
C23 C22 H22 120.0(4) . . ?
C22 C23 C24 120.3(5) . . ?
C22 C23 H23 119.9(4) . . ?
C24 C23 H23 119.9(3) . . ?
C23 C24 C19 120.2(4) . . ?
C23 C24 H24 119.9(3) . . ?
C19 C24 H24 119.9(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
Mn1 N11 2.219(3) 7_655 yes
Mn1 N11 2.229(3) . yes
Mn1 N21 2.235(3) . yes
Mn1 N23 2.244(3) 5_665 yes
Mn1 N2 2.264(3) . yes
Mn1 N1 2.308(3) . yes
N11 N12 1.182(4) . yes
N11 Mn1 2.219(3) 7_655 yes
N12 N13 1.157(4) . yes
N21 N22 1.178(4) . yes
N22 N23 1.169(4) . yes
N23 Mn1 2.244(3) 5_665 yes
N1 C5 1.336(5) . ?
N1 C1 1.340(4) . ?
C1 C2 1.382(5) . ?
C1 H1 0.93 . ?
C2 C3 1.377(5) . ?
C2 C6 1.499(5) . ?
C3 C4 1.368(5) . ?
C3 H3 0.93 . ?
C4 C5 1.369(5) . ?
C4 H4 0.93 . ?
C5 H5 0.93 . ?
C6 O1 1.206(4) . ?
C6 C7 1.488(5) . ?
C7 C12 1.384(5) . ?
C7 C8 1.389(5) . ?
C8 C9 1.371(5) . ?
C8 H8 0.93 . ?
C9 C10 1.372(6) . ?
C9 H9 0.93 . ?
C10 C11 1.374(6) . ?
C10 H10 0.93 . ?
C11 C12 1.372(5) . ?
C11 H11 0.93 . ?
C12 H12 0.93 . ?
N2 C17 1.334(5) . ?
N2 C13 1.339(4) . ?
C13 C14 1.388(5) . ?
C13 H13 0.93 . ?
C14 C15 1.371(6) . ?
C14 C18 1.509(6) . ?
C15 C16 1.367(6) . ?
C15 H15 0.93 . ?
C16 C17 1.378(5) . ?
C16 H16 0.93 . ?
C17 H17 0.93 . ?
C18 O2 1.213(5) . ?
C18 C19 1.482(6) . ?
C19 C24 1.388(6) . ?
C19 C20 1.393(6) . ?
C20 C21 1.371(7) . ?
C20 H20 0.93 . ?
C21 C22 1.364(7) . ?
C21 H21 0.93 . ?
C22 C23 1.370(6) . ?
C22 H22 0.93 . ?
C23 C24 1.380(6) . ?
C23 H23 0.93 . ?
C24 H24 0.93 . ?
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
N11 Mn1 N11 N12 -148.1(4) 7_655 . . . ?
N21 Mn1 N11 N12 29.2(3) . . . . ?
N23 Mn1 N11 N12 -151.2(9) 5_665 . . . ?
N2 Mn1 N11 N12 121.7(3) . . . . ?
N1 Mn1 N11 N12 -56.9(3) . . . . ?
N11 Mn1 N11 Mn1 0.0 7_655 . . 7_655 ?
N21 Mn1 N11 Mn1 177.37(12) . . . 7_655 ?
N23 Mn1 N11 Mn1 -3.1(11) 5_665 . . 7_655 ?
N2 Mn1 N11 Mn1 -90.13(12) . . . 7_655 ?
N1 Mn1 N11 Mn1 91.27(12) . . . 7_655 ?
Mn1 N11 N12 N13 -61.7(366) 7_655 . . . ?
Mn1 N11 N12 N13 80.4(365) . . . . ?
N11 Mn1 N21 N22 -130.6(6) 7_655 . . . ?
N11 Mn1 N21 N22 -146.2(3) . . . . ?
N23 Mn1 N21 N22 33.9(3) 5_665 . . . ?
N2 Mn1 N21 N22 121.2(3) . . . . ?
N1 Mn1 N21 N22 -51.5(3) . . . . ?
Mn1 N21 N22 N23 169.7(77) . . . . ?
N21 N22 N23 Mn1 146.4(77) . . . 5_665 ?
N11 Mn1 N1 C5 -65.4(3) 7_655 . . . ?
N11 Mn1 N1 C5 -145.2(3) . . . . ?
N21 Mn1 N1 C5 124.1(3) . . . . ?
N23 Mn1 N1 C5 28.7(3) 5_665 . . . ?
N2 Mn1 N1 C5 45.7(9) . . . . ?
N11 Mn1 N1 C1 122.7(3) 7_655 . . . ?
N11 Mn1 N1 C1 43.0(3) . . . . ?
N21 Mn1 N1 C1 -47.8(3) . . . . ?
N23 Mn1 N1 C1 -143.1(3) 5_665 . . . ?
N2 Mn1 N1 C1 -126.1(8) . . . . ?
C5 N1 C1 C2 -0.3(5) . . . . ?
Mn1 N1 C1 C2 172.0(3) . . . . ?
N1 C1 C2 C3 -0.4(6) . . . . ?
N1 C1 C2 C6 177.1(3) . . . . ?
C1 C2 C3 C4 0.9(6) . . . . ?
C6 C2 C3 C4 -176.6(4) . . . . ?
C2 C3 C4 C5 -0.6(6) . . . . ?
C1 N1 C5 C4 0.7(6) . . . . ?
Mn1 N1 C5 C4 -171.5(3) . . . . ?
C3 C4 C5 N1 -0.2(7) . . . . ?
C3 C2 C6 O1 42.3(6) . . . . ?
C1 C2 C6 O1 -135.1(4) . . . . ?
C3 C2 C6 C7 -136.9(4) . . . . ?
C1 C2 C6 C7 45.6(5) . . . . ?
O1 C6 C7 C12 -157.5(4) . . . . ?
C2 C6 C7 C12 21.7(6) . . . . ?
O1 C6 C7 C8 20.9(6) . . . . ?
C2 C6 C7 C8 -159.9(4) . . . . ?
C12 C7 C8 C9 0.0(6) . . . . ?
C6 C7 C8 C9 -178.5(4) . . . . ?
C7 C8 C9 C10 1.2(7) . . . . ?
C8 C9 C10 C11 -1.0(7) . . . . ?
C9 C10 C11 C12 -0.3(7) . . . . ?
C10 C11 C12 C7 1.4(6) . . . . ?
C8 C7 C12 C11 -1.2(6) . . . . ?
C6 C7 C12 C11 177.2(4) . . . . ?
N11 Mn1 N2 C17 -110.3(3) 7_655 . . . ?
N11 Mn1 N2 C17 -30.6(3) . . . . ?
N21 Mn1 N2 C17 60.5(3) . . . . ?
N23 Mn1 N2 C17 155.5(3) 5_665 . . . ?
N1 Mn1 N2 C17 138.5(7) . . . . ?
N11 Mn1 N2 C13 67.7(3) 7_655 . . . ?
N11 Mn1 N2 C13 147.3(3) . . . . ?
N21 Mn1 N2 C13 -121.5(3) . . . . ?
N23 Mn1 N2 C13 -26.6(3) 5_665 . . . ?
N1 Mn1 N2 C13 -43.6(9) . . . . ?
C17 N2 C13 C14 -1.8(5) . . . . ?
Mn1 N2 C13 C14 -179.7(3) . . . . ?
N2 C13 C14 C15 0.0(6) . . . . ?
N2 C13 C14 C18 -174.5(4) . . . . ?
C13 C14 C15 C16 1.9(6) . . . . ?
C18 C14 C15 C16 176.8(4) . . . . ?
C14 C15 C16 C17 -2.1(7) . . . . ?
C13 N2 C17 C16 1.5(6) . . . . ?
Mn1 N2 C17 C16 179.6(3) . . . . ?
C15 C16 C17 N2 0.4(7) . . . . ?
C15 C14 C18 O2 -33.5(6) . . . . ?
C13 C14 C18 O2 141.0(5) . . . . ?
C15 C14 C18 C19 146.6(4) . . . . ?
C13 C14 C18 C19 -38.9(6) . . . . ?
O2 C18 C19 C24 163.6(5) . . . . ?
C14 C18 C19 C24 -16.5(6) . . . . ?
O2 C18 C19 C20 -15.3(7) . . . . ?
C14 C18 C19 C20 164.5(4) . . . . ?
C24 C19 C20 C21 0.8(6) . . . . ?
C18 C19 C20 C21 179.8(4) . . . . ?
C19 C20 C21 C22 -0.1(7) . . . . ?
C20 C21 C22 C23 -0.5(8) . . . . ?
C21 C22 C23 C24 0.4(7) . . . . ?
C22 C23 C24 C19 0.3(7) . . . . ?
C20 C19 C24 C23 -0.9(6) . . . . ?
C18 C19 C24 C23 -179.8(4) . . . . ?
