#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:08:49 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179777 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/73/7007395.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_7007395
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         'C36 H52 Mn2 N8 O12 S6'
_chemical_formula_sum            'C36 H52 Mn2 N8 O12 S6'
_chemical_formula_weight         1091.10
_chemical_name_common            (MnL(dmf)2)2
_chemical_name_systematic
;
[MnL(dmf)2]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                111.5750(10)
_cell_angle_beta                 107.8200(10)
_cell_angle_gamma                96.0660(10)
_cell_formula_units_Z            1
_cell_length_a                   11.0902(8)
_cell_length_b                   11.2049(7)
_cell_length_c                   11.9250(8)
_cell_measurement_reflns_used    4062
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      25.09
_cell_measurement_theta_min      1.98
_cell_volume                     1271.45(15)
_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      273(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_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  0.0226
_diffrn_reflns_av_sigmaI/netI    0.0334
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            6649
_diffrn_reflns_theta_full        25.09
_diffrn_reflns_theta_max         25.09
_diffrn_reflns_theta_min         1.98
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.804
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  .4845
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.425
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             566
_exptl_crystal_size_max          .50
_exptl_crystal_size_mid          .26
_exptl_crystal_size_min          .12
_refine_diff_density_max         0.341
_refine_diff_density_min         -0.360
_refine_diff_density_rms         0.063
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.326
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     297
_refine_ls_number_reflns         4457
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.326
_refine_ls_R_factor_all          0.0863
_refine_ls_R_factor_gt           0.0771
_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)+(0.0000P)²+3.1399P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1406
_refine_ls_wR_factor_ref         0.1468
_reflns_number_gt                4035
_reflns_number_total             4457
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            b604579k.txt
_cod_data_source_block           Compound_3
_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_cell_volume        1271.44(15)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7007395
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 0.19595(8) 0.86901(8) 0.28887(8) 0.0501(2) Uani 1 1 d . . .
S2 S 0.50017(14) 1.22312(14) 0.28096(13) 0.0519(4) Uani 1 1 d . . .
S1 S 0.26252(15) 1.14010(15) 0.02914(14) 0.0563(4) Uani 1 1 d . . .
S3 S 0.76549(17) 1.42365(17) 0.45051(16) 0.0734(5) Uani 1 1 d . . .
O1 O 0.0987(4) 0.9965(4) 0.2180(4) 0.0583(10) Uani 1 1 d . . .
O2 O 0.2665(4) 0.8498(4) 0.1382(4) 0.0567(10) Uani 1 1 d . . .
O3 O 0.8446(4) 1.1337(5) 0.5483(4) 0.0730(12) Uani 1 1 d . . .
O4 O 0.6877(4) 1.2608(4) 0.6699(4) 0.0601(10) Uani 1 1 d . . .
O5 O 0.0378(6) 0.6945(5) 0.1708(6) 0.116(2) Uani 1 1 d . . .
O6 O 0.3481(4) 1.0501(4) 0.4313(4) 0.0738(12) Uani 1 1 d . . .
N1 N 0.4744(4) 1.3383(4) 0.1280(4) 0.0513(11) Uani 1 1 d . . .
N2 N 0.5957(5) 1.4057(4) 0.2275(4) 0.0542(11) Uani 1 1 d . . .
N3 N -0.1433(4) 0.5351(4) 0.0924(4) 0.0545(11) Uani 1 1 d . . .
N4 N 0.3467(5) 1.1784(5) 0.6293(5) 0.0682(14) Uani 1 1 d . . .
C1 C 0.0819(6) 1.1863(6) 0.1798(7) 0.0726(18) Uani 1 1 d . . .
H1B H 0.0109 1.1808 0.2092 0.109 Uiso 1 1 calc R . .
H1C H 0.0507 1.1888 0.0963 0.109 Uiso 1 1 calc R . .
H1D H 0.1489 1.2653 0.2408 0.109 Uiso 1 1 calc R . .
C2 C 0.1371(5) 1.0672(5) 0.1687(5) 0.0498(12) Uani 1 1 d . . .
C3 C 0.2249(5) 1.0378(5) 0.1023(5) 0.0474(12) Uani 1 1 d . . .
C4 C 0.2773(5) 0.9240(5) 0.0831(5) 0.0461(12) Uani 1 1 d . . .
C5 C 0.3524(7) 0.8865(6) -0.0050(6) 0.0673(17) Uani 1 1 d . . .
H5B H 0.4375 0.9463 0.0365 0.101 Uiso 1 1 calc R . .
H5C H 0.3065 0.8915 -0.0850 0.101 Uiso 1 1 calc R . .
H5D H 0.3611 0.7977 -0.0227 0.101 Uiso 1 1 calc R . .
C6 C 0.4154(5) 1.2429(5) 0.1430(5) 0.0433(11) Uani 1 1 d . . .
C7 C 0.6211(5) 1.3561(5) 0.3124(5) 0.0492(13) Uani 1 1 d . . .
C8 C 0.8835(8) 1.1860(10) 0.3883(8) 0.107(3) Uani 1 1 d . . .
H8B H 0.8172 1.1782 0.3103 0.160 Uiso 1 1 calc R . .
H8C H 0.9121 1.1054 0.3718 0.160 Uiso 1 1 calc R . .
H8D H 0.9563 1.2585 0.4160 0.160 Uiso 1 1 calc R . .
C9 C 0.8283(6) 1.2107(7) 0.4936(6) 0.0614(15) Uani 1 1 d . . .
C10 C 0.7601(5) 1.3115(6) 0.5226(5) 0.0546(14) Uani 1 1 d . . .
C11 C 0.6940(6) 1.3321(6) 0.6108(5) 0.0548(13) Uani 1 1 d . . .
C12 C 0.6202(8) 1.4383(7) 0.6335(7) 0.084(2) Uani 1 1 d . . .
H12B H 0.5759 1.4324 0.6896 0.126 Uiso 1 1 calc R . .
H12C H 0.5573 1.4267 0.5519 0.126 Uiso 1 1 calc R . .
H12D H 0.6802 1.5237 0.6733 0.126 Uiso 1 1 calc R . .
C13 C -0.0754(8) 0.6449(7) 0.1059(7) 0.080(2) Uani 1 1 d . . .
H13A H -0.1195 0.6893 0.0606 0.096 Uiso 1 1 calc R . .
C14 C -0.0855(8) 0.4586(8) 0.1580(8) 0.107(3) Uani 1 1 d . . .
H14B H 0.0075 0.4936 0.1977 0.161 Uiso 1 1 calc R . .
H14C H -0.1054 0.3681 0.0964 0.161 Uiso 1 1 calc R . .
H14D H -0.1200 0.4629 0.2237 0.161 Uiso 1 1 calc R . .
C15 C -0.2798(6) 0.4793(7) 0.0063(7) 0.0782(19) Uani 1 1 d . . .
H15B H -0.3102 0.5396 -0.0294 0.117 Uiso 1 1 calc R . .
H15C H -0.3309 0.4651 0.0543 0.117 Uiso 1 1 calc R . .
H15D H -0.2884 0.3965 -0.0629 0.117 Uiso 1 1 calc R . .
C16 C 0.3932(6) 1.0978(6) 0.5514(7) 0.0661(16) Uani 1 1 d . . .
H16A H 0.4675 1.0742 0.5904 0.079 Uiso 1 1 calc R . .
C17 C 0.2268(8) 1.2139(9) 0.5765(8) 0.116(3) Uani 1 1 d . . .
H17B H 0.2005 1.1805 0.4839 0.175 Uiso 1 1 calc R . .
H17C H 0.2412 1.3085 0.6136 0.175 Uiso 1 1 calc R . .
H17D H 0.1594 1.1761 0.5972 0.175 Uiso 1 1 calc R . .
C18 C 0.4073(8) 1.2331(9) 0.7695(7) 0.108(3) Uani 1 1 d . . .
H18B H 0.3493 1.2010 0.8032 0.162 Uiso 1 1 calc R . .
H18C H 0.4256 1.3280 0.8047 0.162 Uiso 1 1 calc R . .
H18D H 0.4874 1.2066 0.7935 0.162 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
O2 Mn O3 167.75(16) . 2_676 ?
O2 Mn O4 86.75(14) . 2_676 ?
O3 Mn O4 81.14(15) 2_676 2_676 ?
O2 Mn O1 80.99(14) . . ?
O3 Mn O1 111.07(15) 2_676 . ?
O4 Mn O1 167.70(14) 2_676 . ?
O2 Mn O5 94.1(2) . . ?
O3 Mn O5 86.9(2) 2_676 . ?
O4 Mn O5 86.2(2) 2_676 . ?
O1 Mn O5 95.7(2) . . ?
O2 Mn O6 93.71(16) . . ?
O3 Mn O6 85.34(18) 2_676 . ?
O4 Mn O6 94.13(17) 2_676 . ?
O1 Mn O6 85.70(17) . . ?
O5 Mn O6 172.1(2) . . ?
C6 S2 C7 85.7(2) . . ?
C6 S1 C3 102.4(2) . . ?
C7 S3 C10 103.4(3) . . ?
C2 O1 Mn 128.3(3) . . ?
C4 O2 Mn 131.2(3) . . ?
C9 O3 Mn 131.6(4) . 2_676 ?
C11 O4 Mn 131.5(4) . 2_676 ?
C13 O5 Mn 149.6(6) . . ?
C16 O6 Mn 130.3(4) . . ?
C6 N1 N2 112.6(4) . . ?
C7 N2 N1 111.4(4) . . ?
C13 N3 C14 121.6(6) . . ?
C13 N3 C15 122.5(6) . . ?
C14 N3 C15 115.9(5) . . ?
C16 N4 C18 123.1(6) . . ?
C16 N4 C17 120.3(6) . . ?
C18 N4 C17 116.6(6) . . ?
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 123.6(5) . . ?
O1 C2 C1 116.1(5) . . ?
C3 C2 C1 120.3(5) . . ?
C2 C3 C4 123.7(5) . . ?
C2 C3 S1 118.6(4) . . ?
C4 C3 S1 117.5(4) . . ?
O2 C4 C3 123.6(5) . . ?
O2 C4 C5 115.1(5) . . ?
C3 C4 C5 121.3(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 115.0(4) . . ?
N1 C6 S1 121.7(4) . . ?
S2 C6 S1 123.3(3) . . ?
N2 C7 S2 115.3(4) . . ?
N2 C7 S3 121.5(4) . . ?
S2 C7 S3 123.2(3) . . ?
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 124.2(5) . . ?
O3 C9 C8 114.7(6) . . ?
C10 C9 C8 121.0(6) . . ?
C9 C10 C11 124.3(5) . . ?
C9 C10 S3 117.5(4) . . ?
C11 C10 S3 118.1(4) . . ?
O4 C11 C10 123.2(5) . . ?
O4 C11 C12 115.5(5) . . ?
C10 C11 C12 121.3(5) . . ?
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 . . ?
O5 C13 N3 126.4(7) . . ?
O5 C13 H13A 116.8 . . ?
N3 C13 H13A 116.8 . . ?
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 . . ?
O6 C16 N4 126.4(6) . . ?
O6 C16 H16A 116.8 . . ?
N4 C16 H16A 116.8 . . ?
N4 C17 H17B 109.5 . . ?
N4 C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N4 C17 H17D 109.5 . . ?
H17B C17 H17D 109.5 . . ?
H17C C17 H17D 109.5 . . ?
N4 C18 H18B 109.5 . . ?
N4 C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
N4 C18 H18D 109.5 . . ?
H18B C18 H18D 109.5 . . ?
H18C C18 H18D 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 O2 2.121(3) . ?
Mn O3 2.133(4) 2_676 ?
Mn O4 2.134(4) 2_676 ?
Mn O1 2.138(4) . ?
Mn O5 2.150(5) . ?
Mn O6 2.199(4) . ?
S2 C6 1.733(5) . ?
S2 C7 1.737(5) . ?
S1 C6 1.753(5) . ?
S1 C3 1.762(5) . ?
S3 C7 1.750(6) . ?
S3 C10 1.770(5) . ?
O1 C2 1.257(6) . ?
O2 C4 1.251(6) . ?
O3 C9 1.255(7) . ?
O3 Mn 2.133(4) 2_676 ?
O4 C11 1.253(6) . ?
O4 Mn 2.134(4) 2_676 ?
O5 C13 1.194(8) . ?
O6 C16 1.236(7) . ?
N1 C6 1.291(6) . ?
N1 N2 1.392(6) . ?
N2 C7 1.298(6) . ?
N3 C13 1.300(8) . ?
N3 C14 1.435(8) . ?
N3 C15 1.454(7) . ?
N4 C16 1.312(8) . ?
N4 C18 1.447(8) . ?
N4 C17 1.451(8) . ?
C1 C2 1.506(7) . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C1 H1D 0.9600 . ?
C2 C3 1.425(7) . ?
C3 C4 1.427(7) . ?
C4 C5 1.503(7) . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C5 H5D 0.9600 . ?
C8 C9 1.509(8) . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C8 H8D 0.9600 . ?
C9 C10 1.421(8) . ?
C10 C11 1.423(8) . ?
C11 C12 1.505(8) . ?
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 H16A 0.9300 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C17 H17D 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C18 H18D 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
O2 Mn O1 C2 -31.7(5) . . . . ?
O3 Mn O1 C2 146.0(5) 2_676 . . . ?
O4 Mn O1 C2 -26.9(10) 2_676 . . . ?
O5 Mn O1 C2 -125.0(5) . . . . ?
O6 Mn O1 C2 62.7(5) . . . . ?
O3 Mn O2 C4 -147.3(8) 2_676 . . . ?
O4 Mn O2 C4 -156.1(5) 2_676 . . . ?
O1 Mn O2 C4 22.8(5) . . . . ?
O5 Mn O2 C4 118.0(5) . . . . ?
O6 Mn O2 C4 -62.2(5) . . . . ?
O2 Mn O5 C13 -100.4(12) . . . . ?
O3 Mn O5 C13 91.8(12) 2_676 . . . ?
O4 Mn O5 C13 173.1(12) 2_676 . . . ?
O1 Mn O5 C13 -19.1(12) . . . . ?
O2 Mn O6 C16 -155.8(6) . . . . ?
O3 Mn O6 C16 12.0(6) 2_676 . . . ?
O4 Mn O6 C16 -68.8(6) 2_676 . . . ?
O1 Mn O6 C16 123.6(6) . . . . ?
C6 N1 N2 C7 0.2(6) . . . . ?
Mn O1 C2 C3 26.9(8) . . . . ?
Mn O1 C2 C1 -154.8(4) . . . . ?
O1 C2 C3 C4 0.9(9) . . . . ?
C1 C2 C3 C4 -177.4(5) . . . . ?
O1 C2 C3 S1 176.1(4) . . . . ?
C1 C2 C3 S1 -2.2(7) . . . . ?
C6 S1 C3 C2 100.4(4) . . . . ?
C6 S1 C3 C4 -84.1(4) . . . . ?
Mn O2 C4 C3 -8.6(8) . . . . ?
Mn O2 C4 C5 170.4(4) . . . . ?
C2 C3 C4 O2 -10.7(8) . . . . ?
S1 C3 C4 O2 174.0(4) . . . . ?
C2 C3 C4 C5 170.4(5) . . . . ?
S1 C3 C4 C5 -4.9(7) . . . . ?
N2 N1 C6 S2 0.1(6) . . . . ?
N2 N1 C6 S1 -178.6(3) . . . . ?
C7 S2 C6 N1 -0.2(4) . . . . ?
C7 S2 C6 S1 178.4(3) . . . . ?
C3 S1 C6 N1 -176.4(4) . . . . ?
C3 S1 C6 S2 5.1(4) . . . . ?
N1 N2 C7 S2 -0.4(6) . . . . ?
N1 N2 C7 S3 -178.5(4) . . . . ?
C6 S2 C7 N2 0.3(4) . . . . ?
C6 S2 C7 S3 178.4(4) . . . . ?
C10 S3 C7 N2 -174.0(5) . . . . ?
C10 S3 C7 S2 8.0(4) . . . . ?
Mn O3 C9 C10 -8.1(10) 2_676 . . . ?
Mn O3 C9 C8 173.9(5) 2_676 . . . ?
O3 C9 C10 C11 -4.5(10) . . . . ?
C8 C9 C10 C11 173.3(6) . . . . ?
O3 C9 C10 S3 172.0(5) . . . . ?
C8 C9 C10 S3 -10.1(8) . . . . ?
C7 S3 C10 C9 95.9(5) . . . . ?
C7 S3 C10 C11 -87.3(5) . . . . ?
Mn O4 C11 C10 19.7(8) 2_676 . . . ?
Mn O4 C11 C12 -163.3(4) 2_676 . . . ?
C9 C10 C11 O4 -1.3(9) . . . . ?
S3 C10 C11 O4 -177.9(4) . . . . ?
C9 C10 C11 C12 -178.1(6) . . . . ?
S3 C10 C11 C12 5.4(8) . . . . ?
Mn O5 C13 N3 -148.9(8) . . . . ?
C14 N3 C13 O5 0.2(12) . . . . ?
C15 N3 C13 O5 -177.1(8) . . . . ?
Mn O6 C16 N4 -87.2(8) . . . . ?
C18 N4 C16 O6 -178.2(7) . . . . ?
C17 N4 C16 O6 3.7(11) . . . . ?
