#------------------------------------------------------------------------------
#$Date: 2023-07-11 10:35:12 +0300 (Tue, 11 Jul 2023) $
#$Revision: 285144 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/74/8107461.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_8107461
loop_
_publ_author_name
'Li, Ting'
'Xiao, Xiyuan'
'Tan, Yuxing'
'Fu, Weiwei'
_publ_section_title
;
 The crystal structure of
 ((E)-2,4-dichloro-6-(((2-hydroxy-5-nitrophenyl)imino)methyl)phenolato-κ
 3 N,O,O′)tris(pyridine-\kN)manganese(II), C28H21Cl2MnN5O4
;
_journal_issue                   3
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              433
_journal_page_last               435
_journal_paper_doi               10.1515/ncrs-2023-0012
_journal_volume                  238
_journal_year                    2023
_chemical_formula_sum            'C28 H21 Cl2 Mn N5 O4'
_chemical_formula_weight         617.34
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_cell_angle_alpha                103.7760(10)
_cell_angle_beta                 92.4070(10)
_cell_angle_gamma                99.7610(10)
_cell_formula_units_Z            2
_cell_length_a                   8.9699(9)
_cell_length_b                   9.1185(9)
_cell_length_c                   17.6902(17)
_cell_measurement_reflns_used    3767
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.60
_cell_measurement_theta_min      2.34
_cell_volume                     1379.8(2)
_computing_cell_refinement       'Bruker SAINT [1]'
_computing_data_collection       'Bruker APEX2 [1]'
_computing_data_reduction        'Bruker SAINT [1]'
_computing_molecular_graphics    'ORTEP-3 for Windows [4]'
_computing_publication_material  'SHELXL-2018/3 [3]'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018) [3]'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018) [2]'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0309
_diffrn_reflns_av_unetI/netI     0.0380
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            15743
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.999
_diffrn_reflns_theta_min         2.340
_exptl_absorpt_coefficient_mu    0.716
_exptl_absorpt_correction_T_max  0.9929
_exptl_absorpt_correction_T_min  0.8302
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            Brown
_exptl_crystal_density_diffrn    1.486
_exptl_crystal_description       Flake
_exptl_crystal_F_000             630
_exptl_crystal_size_max          0.270
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.010
_refine_diff_density_max         0.277
_refine_diff_density_min         -0.274
_refine_diff_density_rms         0.043
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     365
_refine_ls_number_reflns         5391
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0653
_refine_ls_R_factor_gt           0.0388
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0386P)²+0.1429P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0837
_refine_ls_wR_factor_ref         0.0920
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3790
_reflns_number_total             5391
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            suppl_j_ncrs-2023-0012_suppl.cif
_cod_data_source_block           jwj023A_a
_cod_database_code               8107461
_shelx_space_group_comment
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;
_shelx_estimated_absorpt_t_min   0.830
_shelx_estimated_absorpt_t_max   0.993
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Mn1 Mn 0.90839(4) 0.87736(4) 0.73447(2) 0.04584(12) Uani 1 1 d . . . . .
N1 N 0.68590(19) 0.7772(2) 0.66603(10) 0.0412(4) Uani 1 1 d . . . . .
N2 N 0.4572(3) 0.7383(3) 0.40281(13) 0.0716(7) Uani 1 1 d . . . . .
N3 N 0.8574(2) 1.0971(2) 0.81646(11) 0.0500(5) Uani 1 1 d . . . . .
N4 N 1.1470(2) 0.9578(2) 0.79103(12) 0.0532(5) Uani 1 1 d . . . . .
N5 N 1.0065(2) 0.6693(2) 0.66425(11) 0.0489(5) Uani 1 1 d . . . . .
O1 O 0.81630(17) 0.76083(18) 0.81432(9) 0.0506(4) Uani 1 1 d . . . . .
O2 O 0.91534(17) 0.98725(18) 0.64094(9) 0.0540(4) Uani 1 1 d . . . . .
O3 O 0.3623(2) 0.6295(3) 0.40842(12) 0.0988(8) Uani 1 1 d . . . . .
O4 O 0.4579(3) 0.7908(3) 0.34544(12) 0.1103(9) Uani 1 1 d . . . . .
Cl1 Cl 0.77116(9) 0.75227(8) 0.97543(4) 0.0719(2) Uani 1 1 d . . . . .
Cl2 Cl 0.20213(9) 0.47483(10) 0.86056(5) 0.0873(3) Uani 1 1 d . . . . .
C1 C 0.6778(3) 0.7057(2) 0.82290(13) 0.0432(5) Uani 1 1 d . . . . .
C2 C 0.6348(3) 0.6849(3) 0.89663(13) 0.0497(6) Uani 1 1 d . . . . .
C3 C 0.4939(3) 0.6135(3) 0.90843(15) 0.0567(7) Uani 1 1 d . . . . .
H3 H 0.472700 0.599283 0.957475 0.068 Uiso 1 1 calc R U . . .
C4 C 0.3833(3) 0.5628(3) 0.84630(15) 0.0590(7) Uani 1 1 d . . . . .
C5 C 0.4145(3) 0.5888(3) 0.77504(14) 0.0552(6) Uani 1 1 d . . . . .
H5 H 0.338393 0.557111 0.734167 0.066 Uiso 1 1 calc R U . . .
C6 C 0.5579(2) 0.6617(3) 0.76202(13) 0.0442(5) Uani 1 1 d . . . . .
C7 C 0.5704(3) 0.6991(3) 0.68731(14) 0.0477(6) Uani 1 1 d . . . . .
C8 C 0.6812(2) 0.8171(2) 0.59318(12) 0.0400(5) Uani 1 1 d . . . . .
C9 C 0.5714(2) 0.7535(3) 0.53241(13) 0.0465(6) Uani 1 1 d . . . . .
H9 H 0.494926 0.673277 0.535989 0.056 Uiso 1 1 calc R U . . .
C10 C 0.5741(3) 0.8080(3) 0.46587(13) 0.0495(6) Uani 1 1 d . . . . .
C11 C 0.6870(3) 0.9273(3) 0.45943(14) 0.0563(6) Uani 1 1 d . . . . .
H11 H 0.685673 0.965778 0.415273 0.068 Uiso 1 1 calc R U . . .
C12 C 0.8005(3) 0.9882(3) 0.51821(14) 0.0549(6) Uani 1 1 d . . . . .
H12 H 0.876615 1.067304 0.512988 0.066 Uiso 1 1 calc R U . . .
C13 C 0.8052(2) 0.9343(3) 0.58671(13) 0.0446(5) Uani 1 1 d . . . . .
C14 C 1.2415(3) 1.0678(4) 0.77175(18) 0.0797(9) Uani 1 1 d . . . . .
H14 H 1.207061 1.113351 0.734259 0.096 Uiso 1 1 calc R U . . .
C15 C 1.3886(4) 1.1183(5) 0.8046(2) 0.1070(13) Uani 1 1 d . . . . .
H15 H 1.452276 1.195396 0.789057 0.128 Uiso 1 1 calc R U . . .
C16 C 1.4388(3) 1.0542(5) 0.8595(2) 0.0925(11) Uani 1 1 d . . . . .
H16 H 1.537923 1.086272 0.882320 0.111 Uiso 1 1 calc R U . . .
C17 C 1.3432(4) 0.9423(4) 0.8813(2) 0.0846(10) Uani 1 1 d . . . . .
H17 H 1.374964 0.897227 0.919590 0.102 Uiso 1 1 calc R U . . .
C18 C 1.1981(3) 0.8973(3) 0.84525(18) 0.0710(8) Uani 1 1 d . . . . .
H18 H 1.132752 0.820262 0.859927 0.085 Uiso 1 1 calc R U . . .
C19 C 0.9735(3) 0.5308(3) 0.67817(15) 0.0577(7) Uani 1 1 d . . . . .
H19 H 0.909543 0.518650 0.717141 0.069 Uiso 1 1 calc R U . . .
C20 C 1.0279(3) 0.4049(3) 0.63867(17) 0.0685(8) Uani 1 1 d . . . . .
H20 H 1.002307 0.310469 0.650777 0.082 Uiso 1 1 calc R U . . .
C21 C 1.1207(3) 0.4225(4) 0.58112(17) 0.0724(8) Uani 1 1 d . . . . .
H21 H 1.159375 0.339393 0.553063 0.087 Uiso 1 1 calc R U . . .
C22 C 1.1565(3) 0.5624(4) 0.56493(16) 0.0700(8) Uani 1 1 d . . . . .
H22 H 1.219036 0.576226 0.525624 0.084 Uiso 1 1 calc R U . . .
C23 C 1.0980(3) 0.6828(3) 0.60804(15) 0.0607(7) Uani 1 1 d . . . . .
H23 H 1.123673 0.778551 0.597334 0.073 Uiso 1 1 calc R U . . .
C24 C 0.8110(3) 1.2089(3) 0.79109(16) 0.0590(7) Uani 1 1 d . . . . .
H24 H 0.794089 1.196707 0.737534 0.071 Uiso 1 1 calc R U . . .
C25 C 0.7872(4) 1.3413(3) 0.8404(2) 0.0794(9) Uani 1 1 d . . . . .
H25 H 0.753541 1.416764 0.820533 0.095 Uiso 1 1 calc R U . . .
C26 C 0.8133(3) 1.3619(3) 0.9192(2) 0.0779(9) Uani 1 1 d . . . . .
H26 H 0.798658 1.451798 0.953604 0.093 Uiso 1 1 calc R U . . .
C27 C 0.8610(3) 1.2486(3) 0.94643(16) 0.0684(8) Uani 1 1 d . . . . .
H27 H 0.880018 1.259567 0.999762 0.082 Uiso 1 1 calc R U . . .
C28 C 0.8803(3) 1.1180(3) 0.89351(16) 0.0622(7) Uani 1 1 d . . . . .
H28 H 0.911076 1.039909 0.912312 0.075 Uiso 1 1 calc R U . . .
H7 H 0.477(3) 0.666(3) 0.6537(14) 0.065(7) Uiso 1 1 d . . . . .
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
O1 Mn1 O2 158.68(6) . .
O1 Mn1 N1 83.81(6) . .
O2 Mn1 N1 76.46(6) . .
O1 Mn1 N4 99.00(7) . .
O2 Mn1 N4 101.61(7) . .
N1 Mn1 N4 172.31(7) . .
O1 Mn1 N3 86.82(7) . .
O2 Mn1 N3 89.48(7) . .
N1 Mn1 N3 102.10(6) . .
N4 Mn1 N3 85.25(7) . .
O1 Mn1 N5 94.07(7) . .
O2 Mn1 N5 93.55(7) . .
N1 Mn1 N5 88.93(6) . .
N4 Mn1 N5 83.74(7) . .
N3 Mn1 N5 168.96(6) . .
C7 N1 C8 121.49(18) . .
C7 N1 Mn1 127.19(15) . .
C8 N1 Mn1 111.25(13) . .
O3 N2 O4 122.4(2) . .
O3 N2 C10 119.3(2) . .
O4 N2 C10 118.3(3) . .
C24 N3 C28 117.2(2) . .
C24 N3 Mn1 123.37(17) . .
C28 N3 Mn1 119.36(16) . .
C18 N4 C14 117.1(2) . .
C18 N4 Mn1 121.29(18) . .
C14 N4 Mn1 121.60(18) . .
C23 N5 C19 116.5(2) . .
C23 N5 Mn1 121.76(18) . .
C19 N5 Mn1 121.76(16) . .
C1 O1 Mn1 131.28(14) . .
C13 O2 Mn1 115.60(14) . .
O1 C1 C2 120.6(2) . .
O1 C1 C6 124.3(2) . .
C2 C1 C6 115.1(2) . .
C3 C2 C1 123.8(2) . .
C3 C2 Cl1 118.69(19) . .
C1 C2 Cl1 117.46(19) . .
C2 C3 C4 119.1(2) . .
C2 C3 H3 120.5 . .
C4 C3 H3 120.5 . .
C5 C4 C3 119.9(2) . .
C5 C4 Cl2 120.3(2) . .
C3 C4 Cl2 119.74(19) . .
C4 C5 C6 121.8(2) . .
C4 C5 H5 119.1 . .
C6 C5 H5 119.1 . .
C5 C6 C1 120.0(2) . .
C5 C6 C7 116.1(2) . .
C1 C6 C7 123.7(2) . .
N1 C7 C6 126.5(2) . .
N1 C7 H7 120.2(14) . .
C6 C7 H7 113.2(14) . .
C9 C8 N1 125.5(2) . .
C9 C8 C13 120.6(2) . .
N1 C8 C13 113.89(18) . .
C8 C9 C10 120.3(2) . .
C8 C9 H9 119.9 . .
C10 C9 H9 119.9 . .
C9 C10 C11 120.7(2) . .
C9 C10 N2 118.9(2) . .
C11 C10 N2 120.3(2) . .
C12 C11 C10 119.8(2) . .
C12 C11 H11 120.1 . .
C10 C11 H11 120.1 . .
C11 C12 C13 121.8(2) . .
C11 C12 H12 119.1 . .
C13 C12 H12 119.1 . .
O2 C13 C12 121.9(2) . .
O2 C13 C8 121.4(2) . .
C12 C13 C8 116.7(2) . .
N4 C14 C15 123.0(3) . .
N4 C14 H14 118.5 . .
C15 C14 H14 118.5 . .
C16 C15 C14 118.9(3) . .
C16 C15 H15 120.6 . .
C14 C15 H15 120.6 . .
C15 C16 C17 119.3(3) . .
C15 C16 H16 120.3 . .
C17 C16 H16 120.3 . .
C16 C17 C18 118.2(3) . .
C16 C17 H17 120.9 . .
C18 C17 H17 120.9 . .
N4 C18 C17 123.4(3) . .
N4 C18 H18 118.3 . .
C17 C18 H18 118.3 . .
N5 C19 C20 124.1(2) . .
N5 C19 H19 117.9 . .
C20 C19 H19 117.9 . .
C21 C20 C19 117.9(3) . .
C21 C20 H20 121.0 . .
C19 C20 H20 121.0 . .
C22 C21 C20 119.6(3) . .
C22 C21 H21 120.2 . .
C20 C21 H21 120.2 . .
C21 C22 C23 118.5(3) . .
C21 C22 H22 120.7 . .
C23 C22 H22 120.7 . .
N5 C23 C22 123.3(3) . .
N5 C23 H23 118.3 . .
C22 C23 H23 118.3 . .
N3 C24 C25 122.7(3) . .
N3 C24 H24 118.7 . .
C25 C24 H24 118.7 . .
C26 C25 C24 119.4(3) . .
C26 C25 H25 120.3 . .
C24 C25 H25 120.3 . .
C27 C26 C25 118.8(3) . .
C27 C26 H26 120.6 . .
C25 C26 H26 120.6 . .
C26 C27 C28 118.5(3) . .
C26 C27 H27 120.7 . .
C28 C27 H27 120.7 . .
N3 C28 C27 123.3(3) . .
N3 C28 H28 118.3 . .
C27 C28 H28 118.3 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mn1 O1 2.0789(16) .
Mn1 O2 2.1266(16) .
Mn1 N1 2.2215(17) .
Mn1 N4 2.2488(19) .
Mn1 N3 2.305(2) .
Mn1 N5 2.3354(19) .
N1 C7 1.278(3) .
N1 C8 1.421(3) .
N2 O3 1.219(3) .
N2 O4 1.221(3) .
N2 C10 1.444(3) .
N3 C24 1.327(3) .
N3 C28 1.333(3) .
N4 C18 1.317(3) .
N4 C14 1.319(3) .
N5 C23 1.330(3) .
N5 C19 1.330(3) .
O1 C1 1.289(2) .
O2 C13 1.292(3) .
Cl1 C2 1.735(2) .
Cl2 C4 1.743(3) .
C1 C2 1.422(3) .
C1 C6 1.424(3) .
C2 C3 1.369(3) .
C3 C4 1.384(3) .
C3 H3 0.9300 .
C4 C5 1.369(3) .
C5 C6 1.399(3) .
C5 H5 0.9300 .
C6 C7 1.446(3) .
C7 H7 0.97(2) .
C8 C9 1.372(3) .
C8 C13 1.434(3) .
C9 C10 1.382(3) .
C9 H9 0.9300 .
C10 C11 1.384(3) .
C11 C12 1.368(3) .
C11 H11 0.9300 .
C12 C13 1.414(3) .
C12 H12 0.9300 .
C14 C15 1.376(4) .
C14 H14 0.9300 .
C15 C16 1.346(5) .
C15 H15 0.9300 .
C16 C17 1.358(4) .
C16 H16 0.9300 .
C17 C18 1.376(4) .
C17 H17 0.9300 .
C18 H18 0.9300 .
C19 C20 1.372(4) .
C19 H19 0.9300 .
C20 C21 1.363(4) .
C20 H20 0.9300 .
C21 C22 1.362(4) .
C21 H21 0.9300 .
C22 C23 1.376(4) .
C22 H22 0.9300 .
C23 H23 0.9300 .
C24 C25 1.366(4) .
C24 H24 0.9300 .
C25 C26 1.365(4) .
C25 H25 0.9300 .
C26 C27 1.362(4) .
C26 H26 0.9300 .
C27 C28 1.370(4) .
C27 H27 0.9300 .
C28 H28 0.9300 .
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
_geom_hbond_publ_flag
C15 H15 O4 0.93 2.57 3.255(4) 131.0 2_776 yes
C22 H22 O3 0.93 2.58 3.508(4) 171.9 1_655 yes
C24 H24 O2 0.93 2.66 3.211(3) 118.9 . yes
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
Mn1 O1 C1 C2 -155.23(16) . . . .
Mn1 O1 C1 C6 24.8(3) . . . .
O1 C1 C2 C3 -173.4(2) . . . .
C6 C1 C2 C3 6.6(3) . . . .
O1 C1 C2 Cl1 5.7(3) . . . .
C6 C1 C2 Cl1 -174.27(16) . . . .
C1 C2 C3 C4 -2.5(4) . . . .
Cl1 C2 C3 C4 178.39(19) . . . .
C2 C3 C4 C5 -2.0(4) . . . .
C2 C3 C4 Cl2 -178.85(19) . . . .
C3 C4 C5 C6 2.0(4) . . . .
Cl2 C4 C5 C6 178.80(19) . . . .
C4 C5 C6 C1 2.5(4) . . . .
C4 C5 C6 C7 -172.6(2) . . . .
O1 C1 C6 C5 173.6(2) . . . .
C2 C1 C6 C5 -6.4(3) . . . .
O1 C1 C6 C7 -11.8(4) . . . .
C2 C1 C6 C7 168.2(2) . . . .
C8 N1 C7 C6 -175.0(2) . . . .
Mn1 N1 C7 C6 1.7(4) . . . .
C5 C6 C7 N1 173.3(2) . . . .
C1 C6 C7 N1 -1.5(4) . . . .
C7 N1 C8 C9 -14.4(3) . . . .
Mn1 N1 C8 C9 168.40(18) . . . .
C7 N1 C8 C13 165.7(2) . . . .
Mn1 N1 C8 C13 -11.5(2) . . . .
N1 C8 C9 C10 176.2(2) . . . .
C13 C8 C9 C10 -3.9(3) . . . .
C8 C9 C10 C11 0.0(3) . . . .
C8 C9 C10 N2 179.8(2) . . . .
O3 N2 C10 C9 -2.6(4) . . . .
O4 N2 C10 C9 177.6(2) . . . .
O3 N2 C10 C11 177.1(3) . . . .
O4 N2 C10 C11 -2.6(4) . . . .
C9 C10 C11 C12 2.4(4) . . . .
N2 C10 C11 C12 -177.4(2) . . . .
C10 C11 C12 C13 -0.9(4) . . . .
Mn1 O2 C13 C12 -175.30(17) . . . .
Mn1 O2 C13 C8 4.6(3) . . . .
C11 C12 C13 O2 177.2(2) . . . .
C11 C12 C13 C8 -2.8(3) . . . .
C9 C8 C13 O2 -174.8(2) . . . .
N1 C8 C13 O2 5.2(3) . . . .
C9 C8 C13 C12 5.2(3) . . . .
N1 C8 C13 C12 -174.91(19) . . . .
C18 N4 C14 C15 1.1(5) . . . .
Mn1 N4 C14 C15 -179.2(3) . . . .
N4 C14 C15 C16 -0.7(6) . . . .
C14 C15 C16 C17 -0.3(6) . . . .
C15 C16 C17 C18 0.8(5) . . . .
C14 N4 C18 C17 -0.6(4) . . . .
Mn1 N4 C18 C17 179.8(2) . . . .
C16 C17 C18 N4 -0.4(5) . . . .
C23 N5 C19 C20 0.2(4) . . . .
Mn1 N5 C19 C20 180.0(2) . . . .
N5 C19 C20 C21 -0.5(4) . . . .
C19 C20 C21 C22 0.2(4) . . . .
C20 C21 C22 C23 0.4(4) . . . .
C19 N5 C23 C22 0.5(4) . . . .
Mn1 N5 C23 C22 -179.25(19) . . . .
C21 C22 C23 N5 -0.8(4) . . . .
C28 N3 C24 C25 0.1(4) . . . .
Mn1 N3 C24 C25 -177.2(2) . . . .
N3 C24 C25 C26 0.8(4) . . . .
C24 C25 C26 C27 -0.7(5) . . . .
C25 C26 C27 C28 -0.3(4) . . . .
C24 N3 C28 C27 -1.1(4) . . . .
Mn1 N3 C28 C27 176.3(2) . . . .
C26 C27 C28 N3 1.2(4) . . . .
