#------------------------------------------------------------------------------
#$Date: 2019-11-23 14:44:16 +0200 (Sat, 23 Nov 2019) $
#$Revision: 233677 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/91/4349183.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_4349183
loop_
_publ_author_name
'Chen, Ting'
'Huo, Peng'
'Hou, Jin-Le'
'Xu, Jing'
'Zhu, Qin-Yu'
'Dai, Jie'
_publ_section_title
;
 Confinement Effects of Metal-Organic Framework on the Formation of
 Charge-Transfer Tetrathiafulvalene Dimers.
;
_journal_issue                   24
_journal_name_full               'Inorganic chemistry'
_journal_page_first              12758
_journal_page_last               12765
_journal_paper_doi               10.1021/acs.inorgchem.6b02062
_journal_volume                  55
_journal_year                    2016
_chemical_formula_sum            'C23 H20 Mn N2 O4 S6'
_chemical_formula_weight         635.71
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_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                 111.391(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   30.627(4)
_cell_length_b                   7.4058(9)
_cell_length_c                   25.397(3)
_cell_measurement_reflns_used    11139
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     5363.7(12)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 14.63
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0581
_diffrn_reflns_av_sigmaI/netI    0.0833
_diffrn_reflns_limit_h_max       39
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            14878
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         3.04
_exptl_absorpt_coefficient_mu    0.993
_exptl_absorpt_correction_T_max  0.9072
_exptl_absorpt_correction_T_min  0.6921
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.574
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Chip
_exptl_crystal_F_000             2600
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.484
_refine_diff_density_min         -0.486
_refine_diff_density_rms         0.091
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.130
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     328
_refine_ls_number_reflns         6132
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.130
_refine_ls_R_factor_all          0.1156
_refine_ls_R_factor_gt           0.0769
_refine_ls_shift/su_max          0.012
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0394P)²+14.9362P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1267
_refine_ls_wR_factor_ref         0.1432
_reflns_number_gt                4450
_reflns_number_total             6132
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic6b02062_si_002.cif
_cod_data_source_block           l
_cod_original_cell_volume        5363.6(12)
_cod_original_sg_symbol_Hall     '-C 2yc  '
_cod_original_sg_symbol_H-M      'C 2/c '
_cod_database_code               4349183
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
Mn1 Mn 0.52947(2) 0.26050(9) 0.56062(3) 0.02329(17) Uani 1 1 d .
S1 S 0.65019(4) 0.56571(16) 0.51654(6) 0.0354(3) Uani 1 1 d .
S2 S 0.63861(4) 0.92476(16) 0.46238(6) 0.0332(3) Uani 1 1 d .
S3 S 0.72804(4) 0.46044(17) 0.46300(6) 0.0351(3) Uani 1 1 d .
S4 S 0.71254(5) 0.80518(17) 0.40172(6) 0.0370(3) Uani 1 1 d .
S5 S 0.77010(5) 0.26961(18) 0.39264(7) 0.0456(4) Uani 1 1 d .
S6 S 0.74186(5) 0.6520(2) 0.30879(6) 0.0513(4) Uani 1 1 d .
O1 O 0.58000(10) 0.4715(4) 0.56477(13) 0.0273(7) Uani 1 1 d .
O2 O 0.52505(10) 0.6694(4) 0.51748(13) 0.0267(7) Uani 1 1 d .
O3 O 0.56733(10) 1.1078(4) 0.51805(13) 0.0288(7) Uani 1 1 d .
O4 O 0.51681(10) 0.9710(4) 0.44185(13) 0.0272(7) Uani 1 1 d .
N1 N 0.49367(14) 0.4072(5) 0.61415(16) 0.0318(9) Uani 1 1 d .
N2 N 0.42385(13) 1.1181(5) 0.85971(16) 0.0299(9) Uani 1 1 d .
C1 C 0.59947(15) 0.6887(6) 0.50950(19) 0.0258(10) Uani 1 1 d .
C2 C 0.59418(15) 0.8528(6) 0.48562(19) 0.0242(10) Uani 1 1 d .
C3 C 0.66628(16) 0.7130(6) 0.4721(2) 0.0278(10) Uani 1 1 d .
C4 C 0.69757(16) 0.6672(6) 0.4487(2) 0.0300(11) Uani 1 1 d .
C5 C 0.74450(16) 0.4701(7) 0.4038(2) 0.0330(11) Uani 1 1 d .
C6 C 0.73580(16) 0.6230(7) 0.3742(2) 0.0336(11) Uani 1 1 d .
C7 C 0.82414(18) 0.3426(8) 0.3883(3) 0.0508(15) Uani 1 1 d .
H7A H 0.8182 0.3995 0.3524 0.076 Uiso 1 1 calc R
H7B H 0.8443 0.2404 0.3921 0.076 Uiso 1 1 calc R
H7C H 0.8390 0.4273 0.4181 0.076 Uiso 1 1 calc R
C8 C 0.7802(3) 0.8416(9) 0.3213(3) 0.079(2) Uani 1 1 d .
H8A H 0.7659 0.9438 0.3319 0.119 Uiso 1 1 calc R
H8B H 0.7860 0.8693 0.2875 0.119 Uiso 1 1 calc R
H8C H 0.8093 0.8137 0.3513 0.119 Uiso 1 1 calc R
C9 C 0.56543(16) 0.6048(6) 0.53257(18) 0.0241(10) Uani 1 1 d .
C10 C 0.55567(15) 0.9874(6) 0.48128(19) 0.0249(10) Uani 1 1 d .
C11 C 0.4158(3) 0.6342(9) 0.7100(3) 0.073(2) Uani 1 1 d .
H11A H 0.4042 0.5355 0.7264 0.087 Uiso 1 1 calc R
H11B H 0.4374 0.7038 0.7409 0.087 Uiso 1 1 calc R
C12 C 0.3757(2) 0.7513(9) 0.6778(2) 0.0547(16) Uani 1 1 d .
H12A H 0.3562 0.6890 0.6438 0.066 Uiso 1 1 calc R
H12B H 0.3874 0.8606 0.6666 0.066 Uiso 1 1 calc R
C13 C 0.34572(18) 0.8023(9) 0.7130(2) 0.0514(16) Uani 1 1 d .
H13A H 0.3185 0.8696 0.6892 0.062 Uiso 1 1 calc R
H13B H 0.3346 0.6926 0.7248 0.062 Uiso 1 1 calc R
C14 C 0.4827(2) 0.5819(7) 0.6103(2) 0.0431(14) Uani 1 1 d .
H14 H 0.4924 0.6546 0.5867 0.052 Uiso 1 1 calc R
C15 C 0.4576(2) 0.6597(8) 0.6400(3) 0.0616(19) Uani 1 1 d .
H15 H 0.4508 0.7825 0.6361 0.074 Uiso 1 1 calc R
C16 C 0.4426(2) 0.5556(8) 0.6752(3) 0.0538(16) Uani 1 1 d .
C17 C 0.4528(2) 0.3743(8) 0.6775(2) 0.0510(15) Uani 1 1 d .
H17 H 0.4423 0.2977 0.6994 0.061 Uiso 1 1 calc R
C18 C 0.47846(19) 0.3060(7) 0.6476(2) 0.0405(13) Uani 1 1 d .
H18 H 0.4856 0.1835 0.6507 0.049 Uiso 1 1 calc R
C19 C 0.41986(17) 0.9386(6) 0.8625(2) 0.0329(11) Uani 1 1 d .
H19 H 0.4349 0.8820 0.8971 0.039 Uiso 1 1 calc R
C20 C 0.39477(17) 0.8337(7) 0.8170(2) 0.0350(12) Uani 1 1 d .
H20 H 0.3930 0.7095 0.8212 0.042 Uiso 1 1 calc R
C21 C 0.37200(16) 0.9138(7) 0.7646(2) 0.0374(12) Uani 1 1 d .
C22 C 0.37588(18) 1.0986(8) 0.7614(2) 0.0406(13) Uani 1 1 d .
H22 H 0.3613 1.1582 0.7272 0.049 Uiso 1 1 calc R
C23 C 0.40144(18) 1.1937(7) 0.8092(2) 0.0382(12) Uani 1 1 d .
H23 H 0.4033 1.3184 0.8062 0.046 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'
S S 0.1246 0.1234 '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
O2 Mn1 O3 92.44(12) 5_666 1_545
O2 Mn1 O1 99.89(11) 5_666 .
O3 Mn1 O1 84.16(11) 1_545 .
O2 Mn1 O4 83.47(12) 5_666 5_666
O3 Mn1 O4 92.02(11) 1_545 5_666
O1 Mn1 O4 175.00(11) . 5_666
O2 Mn1 N2 164.85(13) 5_666 2_646
O3 Mn1 N2 85.69(13) 1_545 2_646
O1 Mn1 N2 94.88(13) . 2_646
O4 Mn1 N2 81.58(13) 5_666 2_646
O2 Mn1 N1 93.09(13) 5_666 .
O3 Mn1 N1 174.18(13) 1_545 .
O1 Mn1 N1 96.66(13) . .
O4 Mn1 N1 86.81(12) 5_666 .
N2 Mn1 N1 88.50(14) 2_646 .
C1 S1 C3 93.3(2) . .
C2 S2 C3 94.3(2) . .
C5 S3 C4 94.8(2) . .
C4 S4 C6 93.8(2) . .
C5 S5 C7 103.5(3) . .
C6 S6 C8 102.6(3) . .
C9 O1 Mn1 117.1(3) . .
C9 O2 Mn1 136.7(3) . 5_666
C10 O3 Mn1 133.5(3) . 1_565
C10 O4 Mn1 120.7(3) . 5_666
C14 N1 C18 117.0(4) . .
C14 N1 Mn1 125.2(3) . .
C18 N1 Mn1 117.4(3) . .
C23 N2 C19 116.2(4) . .
C23 N2 Mn1 126.7(3) . 2_666
C19 N2 Mn1 117.0(3) . 2_666
C2 C1 C9 124.3(4) . .
C2 C1 S1 118.2(3) . .
C9 C1 S1 117.4(3) . .
C1 C2 C10 126.2(4) . .
C1 C2 S2 116.6(3) . .
C10 C2 S2 117.0(3) . .
C4 C3 S2 123.2(4) . .
C4 C3 S1 122.6(3) . .
S2 C3 S1 114.1(2) . .
C3 C4 S4 124.1(4) . .
C3 C4 S3 122.5(4) . .
S4 C4 S3 113.4(2) . .
C6 C5 S5 129.7(4) . .
C6 C5 S3 117.3(4) . .
S5 C5 S3 113.0(3) . .
C5 C6 S6 124.8(4) . .
C5 C6 S4 116.7(4) . .
S6 C6 S4 118.3(3) . .
S5 C7 H7A 109.5 . .
S5 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
S5 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
S6 C8 H8A 109.5 . .
S6 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
S6 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
O2 C9 O1 125.3(4) . .
O2 C9 C1 118.1(4) . .
O1 C9 C1 116.5(4) . .
O3 C10 O4 126.7(4) . .
O3 C10 C2 114.4(4) . .
O4 C10 C2 118.8(4) . .
C12 C11 C16 114.7(5) . .
C12 C11 H11A 108.6 . .
C16 C11 H11A 108.6 . .
C12 C11 H11B 108.6 . .
C16 C11 H11B 108.6 . .
H11A C11 H11B 107.6 . .
C11 C12 C13 111.9(5) . .
C11 C12 H12A 109.2 . .
C13 C12 H12A 109.2 . .
C11 C12 H12B 109.2 . .
C13 C12 H12B 109.2 . .
H12A C12 H12B 107.9 . .
C21 C13 C12 113.3(4) . .
C21 C13 H13A 108.9 . .
C12 C13 H13A 108.9 . .
C21 C13 H13B 108.9 . .
C12 C13 H13B 108.9 . .
H13A C13 H13B 107.7 . .
N1 C14 C15 122.7(5) . .
N1 C14 H14 118.7 . .
C15 C14 H14 118.7 . .
C16 C15 C14 120.2(5) . .
C16 C15 H15 119.9 . .
C14 C15 H15 119.9 . .
C17 C16 C15 116.6(5) . .
C17 C16 C11 120.8(5) . .
C15 C16 C11 122.6(5) . .
C18 C17 C16 120.3(5) . .
C18 C17 H17 119.8 . .
C16 C17 H17 119.8 . .
N1 C18 C17 123.1(5) . .
N1 C18 H18 118.4 . .
C17 C18 H18 118.4 . .
N2 C19 C20 123.5(5) . .
N2 C19 H19 118.3 . .
C20 C19 H19 118.3 . .
C19 C20 C21 119.7(5) . .
C19 C20 H20 120.1 . .
C21 C20 H20 120.1 . .
C22 C21 C20 117.1(5) . .
C22 C21 C13 121.4(5) . .
C20 C21 C13 121.4(5) . .
C23 C22 C21 119.4(5) . .
C23 C22 H22 120.3 . .
C21 C22 H22 120.3 . .
N2 C23 C22 124.1(5) . .
N2 C23 H23 118.0 . .
C22 C23 H23 118.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 O2 2.139(3) 5_666
Mn1 O3 2.169(3) 1_545
Mn1 O1 2.174(3) .
Mn1 O4 2.211(3) 5_666
Mn1 N2 2.267(4) 2_646
Mn1 N1 2.306(4) .
S1 C1 1.753(4) .
S1 C3 1.764(5) .
S2 C2 1.752(4) .
S2 C3 1.757(4) .
S3 C5 1.752(5) .
S3 C4 1.761(5) .
S4 C4 1.753(5) .
S4 C6 1.782(5) .
S5 C5 1.750(5) .
S5 C7 1.783(5) .
S6 C6 1.752(5) .
S6 C8 1.783(7) .
O1 C9 1.256(5) .
O2 C9 1.249(5) .
O2 Mn1 2.139(3) 5_666
O3 C10 1.246(5) .
O3 Mn1 2.169(3) 1_565
O4 C10 1.251(5) .
O4 Mn1 2.211(3) 5_666
N1 C14 1.331(6) .
N1 C18 1.337(6) .
N2 C23 1.338(6) .
N2 C19 1.339(6) .
N2 Mn1 2.267(4) 2_666
C1 C2 1.342(6) .
C1 C9 1.504(6) .
C2 C10 1.517(6) .
C3 C4 1.343(6) .
C5 C6 1.332(7) .
C7 H7A 0.9600 .
C7 H7B 0.9600 .
C7 H7C 0.9600 .
C8 H8A 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
C11 C12 1.482(9) .
C11 C16 1.523(7) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 C13 1.542(7) .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C13 C21 1.510(7) .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 C15 1.384(7) .
C14 H14 0.9300 .
C15 C16 1.381(7) .
C15 H15 0.9300 .
C16 C17 1.375(8) .
C17 C18 1.373(7) .
C17 H17 0.9300 .
C18 H18 0.9300 .
C19 C20 1.371(7) .
C19 H19 0.9300 .
C20 C21 1.391(7) .
C20 H20 0.9300 .
C21 C22 1.378(7) .
C22 C23 1.374(7) .
C22 H22 0.9300 .
C23 H23 0.9300 .
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
O2 Mn1 O1 C9 15.5(3) 5_666
O3 Mn1 O1 C9 107.0(3) 1_545
O4 Mn1 O1 C9 147.4(13) 5_666
N2 Mn1 O1 C9 -167.8(3) 2_646
N1 Mn1 O1 C9 -78.8(3) .
O2 Mn1 N1 C14 -58.6(4) 5_666
O3 Mn1 N1 C14 139.5(12) 1_545
O1 Mn1 N1 C14 41.8(4) .
O4 Mn1 N1 C14 -141.9(4) 5_666
N2 Mn1 N1 C14 136.5(4) 2_646
O2 Mn1 N1 C18 114.3(4) 5_666
O3 Mn1 N1 C18 -47.6(15) 1_545
O1 Mn1 N1 C18 -145.4(4) .
O4 Mn1 N1 C18 31.0(4) 5_666
N2 Mn1 N1 C18 -50.6(4) 2_646
C3 S1 C1 C2 -11.8(4) .
C3 S1 C1 C9 170.2(4) .
C9 C1 C2 C10 4.7(7) .
S1 C1 C2 C10 -173.2(4) .
C9 C1 C2 S2 179.2(3) .
S1 C1 C2 S2 1.4(5) .
C3 S2 C2 C1 9.9(4) .
C3 S2 C2 C10 -175.0(4) .
C2 S2 C3 C4 163.3(5) .
C2 S2 C3 S1 -17.7(3) .
C1 S1 C3 C4 -162.9(5) .
C1 S1 C3 S2 18.1(3) .
S2 C3 C4 S4 -4.2(7) .
S1 C3 C4 S4 176.9(3) .
S2 C3 C4 S3 175.3(3) .
S1 C3 C4 S3 -3.5(7) .
C6 S4 C4 C3 -160.5(5) .
C6 S4 C4 S3 19.9(3) .
C5 S3 C4 C3 162.2(5) .
C5 S3 C4 S4 -18.2(3) .
C7 S5 C5 C6 53.6(6) .
C7 S5 C5 S3 -127.0(3) .
C4 S3 C5 C6 8.2(4) .
C4 S3 C5 S5 -171.3(3) .
S5 C5 C6 S6 8.5(7) .
S3 C5 C6 S6 -170.9(3) .
S5 C5 C6 S4 -176.0(3) .
S3 C5 C6 S4 4.7(6) .
C8 S6 C6 C5 -125.2(5) .
C8 S6 C6 S4 59.3(4) .
C4 S4 C6 C5 -15.0(4) .
C4 S4 C6 S6 160.9(3) .
Mn1 O2 C9 O1 -128.2(4) 5_666
Mn1 O2 C9 C1 50.1(6) 5_666
Mn1 O1 C9 O2 32.8(6) .
Mn1 O1 C9 C1 -145.5(3) .
C2 C1 C9 O2 17.5(7) .
S1 C1 C9 O2 -164.7(3) .
C2 C1 C9 O1 -164.1(4) .
S1 C1 C9 O1 13.7(5) .
Mn1 O3 C10 O4 33.1(7) 1_565
Mn1 O3 C10 C2 -148.6(3) 1_565
Mn1 O4 C10 O3 -113.7(4) 5_666
Mn1 O4 C10 C2 68.2(4) 5_666
C1 C2 C10 O3 98.7(6) .
S2 C2 C10 O3 -75.8(5) .
C1 C2 C10 O4 -82.9(6) .
S2 C2 C10 O4 102.6(4) .
C16 C11 C12 C13 171.2(6) .
C11 C12 C13 C21 63.7(8) .
C18 N1 C14 C15 1.3(9) .
Mn1 N1 C14 C15 174.2(5) .
N1 C14 C15 C16 -0.2(10) .
C14 C15 C16 C17 -1.8(10) .
C14 C15 C16 C11 178.5(7) .
C12 C11 C16 C17 -130.9(7) .
C12 C11 C16 C15 48.7(10) .
C15 C16 C17 C18 2.7(10) .
C11 C16 C17 C18 -177.6(6) .
C14 N1 C18 C17 -0.3(8) .
Mn1 N1 C18 C17 -173.8(5) .
C16 C17 C18 N1 -1.7(10) .
C23 N2 C19 C20 0.4(7) .
Mn1 N2 C19 C20 -176.7(4) 2_666
N2 C19 C20 C21 0.2(7) .
C19 C20 C21 C22 -0.3(7) .
C19 C20 C21 C13 177.4(4) .
C12 C13 C21 C22 84.1(7) .
C12 C13 C21 C20 -93.4(6) .
C20 C21 C22 C23 -0.2(7) .
C13 C21 C22 C23 -177.9(4) .
C19 N2 C23 C22 -0.9(7) .
Mn1 N2 C23 C22 175.8(4) 2_666
C21 C22 C23 N2 0.8(8) .
