#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:08:49 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179777 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/73/7007396.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_7007396
loop_
_publ_author_name
'Zhang, Xiaofeng'
'Chen, Hui'
'Ma, Chengbing'
'Chen, Changneng'
'Liu, Qiutian'
_publ_section_title
;
 Syntheses and structural characterizations of 24-membered dimetal (Mn,
 Ni, Fe) macrocyclic complexes and the C-S bond formation between
 acetylacetone and a mercapto N-heterocycle.
;
_journal_issue                   33
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4047
_journal_page_last               4055
_journal_paper_doi               10.1039/b604579k
_journal_year                    2006
_chemical_formula_moiety         'C34 H50 Mn2 N6 O12 S8'
_chemical_formula_sum            'C34 H50 Mn2 N6 O12 S8'
_chemical_formula_weight         1101.16
_chemical_name_common            (MnL(dmf)(dmso))2
_chemical_name_systematic
;
[MnL(dmf)(dmso)]2
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                107.7100(10)
_cell_angle_beta                 109.1140(10)
_cell_angle_gamma                99.8060(10)
_cell_formula_units_Z            1
_cell_length_a                   10.89890(10)
_cell_length_b                   11.0697(3)
_cell_length_c                   11.7666(3)
_cell_measurement_reflns_used    3051
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.16
_cell_measurement_theta_min      1.99
_cell_volume                     1218.97(5)
_computing_cell_refinement       'Siemens SMART & SAINT'
_computing_data_collection       'Siemens SMART'
_computing_data_reduction        'Siemens XPREP'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material
'Bruker SHELXTL, enCIFer (Allen et al., 2004)'
_computing_structure_refinement  'Siemens SHELXTL'
_computing_structure_solution    'Siemens SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_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  0.0309
_diffrn_reflns_av_sigmaI/netI    0.0474
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            6325
_diffrn_reflns_theta_full        25.16
_diffrn_reflns_theta_max         25.16
_diffrn_reflns_theta_min         1.99
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.921
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  .6785
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_diffrn    1.500
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             570
_exptl_crystal_size_max          .42
_exptl_crystal_size_mid          .34
_exptl_crystal_size_min          .28
_refine_diff_density_max         0.700
_refine_diff_density_min         -0.424
_refine_diff_density_rms         0.085
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.184
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     288
_refine_ls_number_reflns         4239
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.184
_refine_ls_R_factor_all          0.1040
_refine_ls_R_factor_gt           0.0751
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0232P)²+4.8641P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1441
_refine_ls_wR_factor_ref         0.1625
_reflns_number_gt                3266
_reflns_number_total             4239
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            b604579k.txt
_cod_data_source_block           Compound_4
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7007396
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Mn Mn 0.15074(10) 0.82473(10) 0.22738(9) 0.0436(3) Uani 1 1 d . . .
S1 S -0.14422(18) 0.73662(17) 0.48210(16) 0.0540(4) Uani 1 1 d . . .
S2 S -0.23198(17) 0.49843(17) 0.22532(16) 0.0494(4) Uani 1 1 d . . .
S3 S -0.4454(2) 0.2260(2) 0.05204(19) 0.0700(6) Uani 1 1 d . . .
S4 S 0.39903(19) 1.11017(19) 0.34597(19) 0.0622(5) Uani 1 1 d . . .
O1 O 0.1609(4) 0.7517(5) 0.3754(4) 0.0518(11) Uani 1 1 d . . .
O2 O 0.0073(4) 0.9059(4) 0.2875(4) 0.0497(11) Uani 1 1 d . . .
O3 O -0.1692(5) 0.1275(5) -0.0700(4) 0.0583(12) Uani 1 1 d . . .
O4 O -0.2814(5) 0.2900(5) -0.1836(4) 0.0574(12) Uani 1 1 d . . .
O5 O 0.3221(5) 1.0004(5) 0.3685(5) 0.0676(14) Uani 1 1 d . . .
O6 O -0.0320(5) 0.6581(5) 0.0751(5) 0.0690(14) Uani 1 1 d . . .
N1 N -0.3487(5) 0.5135(5) 0.3844(5) 0.0469(12) Uani 1 1 d . . .
N2 N -0.4192(5) 0.3910(5) 0.2823(5) 0.0495(13) Uani 1 1 d . . .
N3 N -0.1593(7) 0.6552(6) -0.1195(6) 0.0718(18) Uani 1 1 d . . .
C1 C 0.1132(7) 0.6562(8) 0.5120(7) 0.066(2) Uani 1 1 d . . .
H1B H 0.0530 0.5669 0.4662 0.099 Uiso 1 1 calc R . .
H1C H 0.1018 0.6975 0.5908 0.099 Uiso 1 1 calc R . .
H1D H 0.2057 0.6546 0.5332 0.099 Uiso 1 1 calc R . .
C2 C 0.0808(6) 0.7341(6) 0.4269(6) 0.0441(14) Uani 1 1 d . . .
C3 C -0.0362(6) 0.7794(6) 0.4077(5) 0.0395(13) Uani 1 1 d . . .
C4 C -0.0651(6) 0.8638(6) 0.3394(6) 0.0438(14) Uani 1 1 d . . .
C5 C -0.1892(7) 0.9126(7) 0.3273(7) 0.0600(18) Uani 1 1 d . . .
H5B H -0.1865 0.9780 0.2894 0.090 Uiso 1 1 calc R . .
H5C H -0.1892 0.9515 0.4122 0.090 Uiso 1 1 calc R . .
H5D H -0.2704 0.8391 0.2727 0.090 Uiso 1 1 calc R . .
C6 C -0.2513(6) 0.5786(6) 0.3665(6) 0.0435(14) Uani 1 1 d . . .
C7 C -0.3692(6) 0.3715(6) 0.1950(6) 0.0461(15) Uani 1 1 d . . .
C8 C -0.2140(10) 0.1035(8) 0.1042(8) 0.084(3) Uani 1 1 d . . .
H8B H -0.2813 0.0197 0.0738 0.126 Uiso 1 1 calc R . .
H8C H -0.2203 0.1661 0.1776 0.126 Uiso 1 1 calc R . .
H8D H -0.1249 0.0921 0.1300 0.126 Uiso 1 1 calc R . .
C9 C -0.2382(7) 0.1551(6) -0.0043(6) 0.0536(17) Uani 1 1 d . . .
C10 C -0.3317(7) 0.2298(6) -0.0249(6) 0.0490(16) Uani 1 1 d . . .
C11 C -0.3468(7) 0.2949(6) -0.1129(6) 0.0497(15) Uani 1 1 d . . .
C12 C -0.4404(8) 0.3799(8) -0.1243(7) 0.070(2) Uani 1 1 d . . .
H12B H -0.3937 0.4679 -0.0585 0.105 Uiso 1 1 calc R . .
H12C H -0.5192 0.3421 -0.1127 0.105 Uiso 1 1 calc R . .
H12D H -0.4680 0.3840 -0.2090 0.105 Uiso 1 1 calc R . .
C13 C -0.0927(9) 0.6097(7) -0.0454(7) 0.079(3) Uani 1 1 d . . .
H13A H -0.0871 0.5258 -0.0863 0.095 Uiso 1 1 calc R . .
C14 C -0.2198(11) 0.5870(10) -0.2610(8) 0.106(3) Uani 1 1 d . . .
H14B H -0.1961 0.5061 -0.2848 0.159 Uiso 1 1 calc R . .
H14C H -0.1862 0.6433 -0.2990 0.159 Uiso 1 1 calc R . .
H14D H -0.3170 0.5668 -0.2925 0.159 Uiso 1 1 calc R . .
C15 C -0.1849(11) 0.7798(10) -0.0669(9) 0.109(4) Uani 1 1 d . . .
H15B H -0.1440 0.8134 0.0267 0.164 Uiso 1 1 calc R . .
H15C H -0.2813 0.7659 -0.0962 0.164 Uiso 1 1 calc R . .
H15D H -0.1464 0.8428 -0.0961 0.164 Uiso 1 1 calc R . .
C16 C 0.4902(8) 1.2421(8) 0.5009(8) 0.081(3) Uani 1 1 d . . .
H16B H 0.4272 1.2745 0.5336 0.121 Uiso 1 1 calc R . .
H16C H 0.5469 1.3128 0.4928 0.121 Uiso 1 1 calc R . .
H16D H 0.5460 1.2106 0.5602 0.121 Uiso 1 1 calc R . .
C17 C 0.5410(8) 1.0643(8) 0.3267(8) 0.079(2) Uani 1 1 d . . .
H17B H 0.5923 1.0488 0.4017 0.118 Uiso 1 1 calc R . .
H17C H 0.5976 1.1346 0.3181 0.118 Uiso 1 1 calc R . .
H17D H 0.5101 0.9846 0.2500 0.118 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
_geom_angle_publ_flag
O1 Mn O3 167.29(17) . 2_565 ?
O1 Mn O2 81.52(16) . . ?
O3 Mn O2 111.13(17) 2_565 . ?
O1 Mn O4 86.70(17) . 2_565 ?
O3 Mn O4 80.58(17) 2_565 2_565 ?
O2 Mn O4 166.90(17) . 2_565 ?
O1 Mn O5 89.99(18) . . ?
O3 Mn O5 90.67(19) 2_565 . ?
O2 Mn O5 92.72(18) . . ?
O4 Mn O5 93.00(19) 2_565 . ?
O1 Mn O6 94.28(19) . . ?
O3 Mn O6 85.9(2) 2_565 . ?
O2 Mn O6 84.79(19) . . ?
O4 Mn O6 90.42(19) 2_565 . ?
O5 Mn O6 174.68(19) . . ?
C6 S1 C3 102.0(3) . . ?
C7 S2 C6 85.2(3) . . ?
C10 S3 C7 104.8(3) . . ?
O5 S4 C17 106.0(4) . . ?
O5 S4 C16 106.2(4) . . ?
C17 S4 C16 97.0(4) . . ?
C2 O1 Mn 131.5(4) . . ?
C4 O2 Mn 128.6(4) . . ?
C9 O3 Mn 133.0(4) . 2_565 ?
C11 O4 Mn 133.5(4) . 2_565 ?
S4 O5 Mn 129.2(3) . . ?
C13 O6 Mn 138.0(5) . . ?
C6 N1 N2 111.6(5) . . ?
C7 N2 N1 111.6(5) . . ?
C13 N3 C15 120.0(7) . . ?
C13 N3 C14 123.3(7) . . ?
C15 N3 C14 116.7(7) . . ?
C2 C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C2 C1 H1D 109.5 . . ?
H1B C1 H1D 109.5 . . ?
H1C C1 H1D 109.5 . . ?
O1 C2 C3 124.3(6) . . ?
O1 C2 C1 115.0(6) . . ?
C3 C2 C1 120.7(6) . . ?
C4 C3 C2 123.4(5) . . ?
C4 C3 S1 118.6(4) . . ?
C2 C3 S1 117.9(4) . . ?
O2 C4 C3 124.6(5) . . ?
O2 C4 C5 115.0(6) . . ?
C3 C4 C5 120.4(5) . . ?
C4 C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C4 C5 H5D 109.5 . . ?
H5B C5 H5D 109.5 . . ?
H5C C5 H5D 109.5 . . ?
N1 C6 S2 115.7(5) . . ?
N1 C6 S1 121.2(5) . . ?
S2 C6 S1 123.1(3) . . ?
N2 C7 S2 115.9(5) . . ?
N2 C7 S3 120.4(5) . . ?
S2 C7 S3 123.6(4) . . ?
C9 C8 H8B 109.5 . . ?
C9 C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C9 C8 H8D 109.5 . . ?
H8B C8 H8D 109.5 . . ?
H8C C8 H8D 109.5 . . ?
O3 C9 C10 124.7(6) . . ?
O3 C9 C8 114.6(7) . . ?
C10 C9 C8 120.7(6) . . ?
C11 C10 C9 123.7(6) . . ?
C11 C10 S3 118.7(5) . . ?
C9 C10 S3 117.3(5) . . ?
O4 C11 C10 123.5(6) . . ?
O4 C11 C12 115.1(6) . . ?
C10 C11 C12 121.4(6) . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C11 C12 H12D 109.5 . . ?
H12B C12 H12D 109.5 . . ?
H12C C12 H12D 109.5 . . ?
N3 C13 O6 130.2(8) . . ?
N3 C13 H13A 114.9 . . ?
O6 C13 H13A 114.9 . . ?
N3 C14 H14B 109.5 . . ?
N3 C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
N3 C14 H14D 109.5 . . ?
H14B C14 H14D 109.5 . . ?
H14C C14 H14D 109.5 . . ?
N3 C15 H15B 109.5 . . ?
N3 C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N3 C15 H15D 109.5 . . ?
H15B C15 H15D 109.5 . . ?
H15C C15 H15D 109.5 . . ?
S4 C16 H16B 109.5 . . ?
S4 C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
S4 C16 H16D 109.5 . . ?
H16B C16 H16D 109.5 . . ?
H16C C16 H16D 109.5 . . ?
S4 C17 H17B 109.5 . . ?
S4 C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
S4 C17 H17D 109.5 . . ?
H17B C17 H17D 109.5 . . ?
H17C C17 H17D 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
Mn O1 2.112(4) . ?
Mn O3 2.133(4) 2_565 ?
Mn O2 2.137(4) . ?
Mn O4 2.146(4) 2_565 ?
Mn O5 2.189(5) . ?
Mn O6 2.231(5) . ?
S1 C6 1.758(6) . ?
S1 C3 1.765(6) . ?
S2 C7 1.723(6) . ?
S2 C6 1.728(6) . ?
S3 C10 1.759(6) . ?
S3 C7 1.759(6) . ?
S4 O5 1.499(5) . ?
S4 C17 1.769(8) . ?
S4 C16 1.773(8) . ?
O1 C2 1.236(7) . ?
O2 C4 1.255(7) . ?
O3 C9 1.254(8) . ?
O3 Mn 2.133(4) 2_565 ?
O4 C11 1.256(7) . ?
O4 Mn 2.146(4) 2_565 ?
O6 C13 1.240(8) . ?
N1 C6 1.292(7) . ?
N1 N2 1.386(7) . ?
N2 C7 1.292(7) . ?
N3 C13 1.232(9) . ?
N3 C15 1.445(10) . ?
N3 C14 1.457(10) . ?
C1 C2 1.505(9) . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C1 H1D 0.9600 . ?
C2 C3 1.424(8) . ?
C3 C4 1.417(8) . ?
C4 C5 1.521(8) . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C5 H5D 0.9600 . ?
C8 C9 1.517(9) . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C8 H8D 0.9600 . ?
C9 C10 1.424(9) . ?
C10 C11 1.415(9) . ?
C11 C12 1.503(9) . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C12 H12D 0.9600 . ?
C13 H13A 0.9300 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C14 H14D 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C15 H15D 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C16 H16D 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C17 H17D 0.9600 . ?
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 Mn O1 C2 -153.5(8) 2_565 . . . ?
O2 Mn O1 C2 20.7(5) . . . . ?
O4 Mn O1 C2 -153.5(6) 2_565 . . . ?
O5 Mn O1 C2 113.5(6) . . . . ?
O6 Mn O1 C2 -63.3(6) . . . . ?
O1 Mn O2 C4 -26.5(5) . . . . ?
O3 Mn O2 C4 152.1(5) 2_565 . . . ?
O4 Mn O2 C4 -0.3(11) 2_565 . . . ?
O5 Mn O2 C4 -116.1(5) . . . . ?
O6 Mn O2 C4 68.6(5) . . . . ?
C17 S4 O5 Mn -93.7(4) . . . . ?
C16 S4 O5 Mn 163.8(4) . . . . ?
O1 Mn O5 S4 173.7(4) . . . . ?
O3 Mn O5 S4 6.4(4) 2_565 . . . ?
O2 Mn O5 S4 -104.8(4) . . . . ?
O4 Mn O5 S4 87.0(4) 2_565 . . . ?
O1 Mn O6 C13 -164.2(8) . . . . ?
O3 Mn O6 C13 3.1(8) 2_565 . . . ?
O2 Mn O6 C13 114.7(8) . . . . ?
O4 Mn O6 C13 -77.5(8) 2_565 . . . ?
C6 N1 N2 C7 0.8(7) . . . . ?
Mn O1 C2 C3 -9.5(9) . . . . ?
Mn O1 C2 C1 169.1(5) . . . . ?
O1 C2 C3 C4 -7.8(10) . . . . ?
C1 C2 C3 C4 173.7(6) . . . . ?
O1 C2 C3 S1 176.4(5) . . . . ?
C1 C2 C3 S1 -2.1(8) . . . . ?
C6 S1 C3 C4 98.6(5) . . . . ?
C6 S1 C3 C2 -85.4(5) . . . . ?
Mn O2 C4 C3 21.9(9) . . . . ?
Mn O2 C4 C5 -159.5(4) . . . . ?
C2 C3 C4 O2 1.0(10) . . . . ?
S1 C3 C4 O2 176.7(5) . . . . ?
C2 C3 C4 C5 -177.6(6) . . . . ?
S1 C3 C4 C5 -1.9(8) . . . . ?
N2 N1 C6 S2 -0.9(7) . . . . ?
N2 N1 C6 S1 -179.3(4) . . . . ?
C7 S2 C6 N1 0.7(5) . . . . ?
C7 S2 C6 S1 179.0(4) . . . . ?
C3 S1 C6 N1 -178.5(5) . . . . ?
C3 S1 C6 S2 3.2(5) . . . . ?
N1 N2 C7 S2 -0.3(7) . . . . ?
N1 N2 C7 S3 -177.3(4) . . . . ?
C6 S2 C7 N2 -0.2(5) . . . . ?
C6 S2 C7 S3 176.8(5) . . . . ?
C10 S3 C7 N2 -171.6(6) . . . . ?
C10 S3 C7 S2 11.6(5) . . . . ?
Mn O3 C9 C10 1.7(10) 2_565 . . . ?
Mn O3 C9 C8 -177.5(5) 2_565 . . . ?
O3 C9 C10 C11 -7.4(10) . . . . ?
C8 C9 C10 C11 171.7(7) . . . . ?
O3 C9 C10 S3 166.1(5) . . . . ?
C8 C9 C10 S3 -14.7(9) . . . . ?
C7 S3 C10 C11 -88.9(5) . . . . ?
C7 S3 C10 C9 97.2(5) . . . . ?
Mn O4 C11 C10 9.4(10) 2_565 . . . ?
Mn O4 C11 C12 -172.7(5) 2_565 . . . ?
C9 C10 C11 O4 1.9(10) . . . . ?
S3 C10 C11 O4 -171.5(5) . . . . ?
C9 C10 C11 C12 -175.9(6) . . . . ?
S3 C10 C11 C12 10.7(9) . . . . ?
C15 N3 C13 O6 -5.2(16) . . . . ?
C14 N3 C13 O6 177.1(9) . . . . ?
Mn O6 C13 N3 -68.8(15) . . . . ?
