#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/62/2226257.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2226257
loop_
_publ_author_name
'Li, Wei-Qi'
_publ_section_title
;
 (1,10-Phenanthroline-κ²N,N')bis(2-thioxo-1,2-dihydropyridine-3-carboxylato-κ²O,S)manganese(II)
;
_journal_coeditor_code           PV2275
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m646
_journal_paper_doi               10.1107/S160053681001514X
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Mn (C6 H4 N1 O2 S)2 (C12 H8 N2)]'
_chemical_formula_moiety         'C24 H16 Mn N4 O4 S2'
_chemical_formula_sum            'C24 H16 Mn N4 O4 S2'
_chemical_formula_weight         543.47
_chemical_name_systematic
;
(1,10-Phenanthroline-κ²N,N')bis(2-thioxo-1,2-
dihydropyridine-3-carboxylato-κ²O,S)manganese(II)
;
_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                105.177(6)
_cell_angle_beta                 90.079(5)
_cell_angle_gamma                102.429(5)
_cell_formula_units_Z            2
_cell_length_a                   7.2369(7)
_cell_length_b                   11.0966(12)
_cell_length_c                   15.1290(17)
_cell_measurement_reflns_used    7683
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.50
_cell_measurement_theta_min      1.95
_cell_volume                     1142.9(2)
_computing_cell_refinement       'SAINT (Bruker, 2006)'
_computing_data_collection       'APEX2 (Bruker, 2006)'
_computing_data_reduction        'SAINT (Bruker, 2006)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.974
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_device_type  'Bruker APEXII area-detector'
_diffrn_measurement_method       'ω 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  0.0196
_diffrn_reflns_av_sigmaI/netI    0.0190
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            16022
_diffrn_reflns_theta_full        26.50
_diffrn_reflns_theta_max         26.50
_diffrn_reflns_theta_min         1.95
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.801
_exptl_absorpt_correction_T_max  0.946
_exptl_absorpt_correction_T_min  0.918
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.579
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             554
_exptl_crystal_size_max          .426
_exptl_crystal_size_mid          .089
_exptl_crystal_size_min          .069
_refine_diff_density_max         0.500
_refine_diff_density_min         -0.447
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     316
_refine_ls_number_reflns         4600
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_gt           0.0314
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0545P)²+0.2746P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0895
_refine_ls_wR_factor_ref         0.0931
_reflns_number_gt                3945
_reflns_number_total             4600
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            pv2275.cif
_cod_data_source_block           I
_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_database_code               2226257
_cod_database_fobs_code          2226257
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Mn Mn1 0.19275(4) 0.18006(3) 0.772122(17) 0.03375(10) Uani d . 1 . .
S S1 0.00472(7) 0.35983(5) 0.78952(4) 0.04714(14) Uani d . 1 . .
S S2 0.36963(7) -0.00932(5) 0.74720(3) 0.04092(13) Uani d . 1 . .
O O1 0.3743(2) 0.28650(14) 0.69924(10) 0.0498(4) Uani d . 1 . .
O O2 0.5749(2) 0.46218(16) 0.68907(15) 0.0721(5) Uani d . 1 . .
O O3 -0.01444(18) 0.04438(13) 0.67939(9) 0.0439(3) Uani d . 1 . .
O O4 -0.17076(19) -0.15020(15) 0.60409(12) 0.0582(4) Uani d . 1 . .
N N1 -0.0514(2) 0.49770(16) 0.68254(12) 0.0444(4) Uani d . 1 . .
H H1A -0.1632 0.4842 0.7025 0.053 Uiso calc R 1 . .
N N2 0.4711(2) -0.11197(14) 0.58227(10) 0.0343(3) Uani d . 1 . .
H H2A 0.5761 -0.1048 0.6120 0.041 Uiso calc R 1 . .
N N3 0.3797(2) 0.27032(14) 0.90459(10) 0.0371(3) Uani d . 1 . .
N N4 0.0141(2) 0.14250(14) 0.88879(10) 0.0358(3) Uani d . 1 . .
C C1 0.2553(2) 0.45880(16) 0.67164(12) 0.0337(4) Uani d . 1 . .
C C2 0.0761(2) 0.43864(17) 0.70980(12) 0.0348(4) Uani d . 1 . .
C C3 -0.0163(3) 0.5755(2) 0.62681(17) 0.0537(5) Uani d . 1 . .
H H3A -0.1104 0.6137 0.6123 0.064 Uiso calc R 1 . .
C C4 0.1556(3) 0.5983(2) 0.59186(18) 0.0577(6) Uani d . 1 . .
H H4A 0.1817 0.6518 0.5532 0.069 Uiso calc R 1 . .
C C5 0.2918(3) 0.5393(2) 0.61535(15) 0.0484(5) Uani d . 1 . .
H H5A 0.4112 0.5547 0.5924 0.058 Uiso calc R 1 . .
C C6 0.4134(2) 0.39785(18) 0.68957(13) 0.0382(4) Uani d . 1 . .
C C7 0.1537(2) -0.09387(15) 0.58063(11) 0.0299(3) Uani d . 1 . .
C C8 0.3275(2) -0.07335(15) 0.63130(11) 0.0296(3) Uani d . 1 . .
C C9 0.4617(3) -0.16086(18) 0.49032(13) 0.0410(4) Uani d . 1 . .
H H9A 0.5672 -0.1836 0.4614 0.049 Uiso calc R 1 . .
C C10 0.2993(3) -0.17670(18) 0.44038(13) 0.0426(4) Uani d . 1 . .
H H10A 0.2921 -0.2076 0.3768 0.051 Uiso calc R 1 . .
C C11 0.1431(3) -0.14547(17) 0.48677(12) 0.0371(4) Uani d . 1 . .
H H11A 0.0285 -0.1597 0.4537 0.045 Uiso calc R 1 . .
C C12 -0.0237(2) -0.06449(17) 0.62609(12) 0.0348(4) Uani d . 1 . .
C C13 0.5588(3) 0.3343(2) 0.91191(15) 0.0478(5) Uani d . 1 . .
H H13A 0.6175 0.3449 0.8589 0.057 Uiso calc R 1 . .
C C14 0.6625(3) 0.3863(2) 0.99610(18) 0.0597(6) Uani d . 1 . .
H H14A 0.7872 0.4319 0.9990 0.072 Uiso calc R 1 . .
C C15 0.5799(3) 0.3698(2) 1.07374(16) 0.0605(6) Uani d . 1 . .
H H15A 0.6489 0.4033 1.1300 0.073 Uiso calc R 1 . .
C C16 0.3900(3) 0.30230(19) 1.06979(14) 0.0487(5) Uani d . 1 . .
C C17 0.2905(4) 0.2797(2) 1.14779(14) 0.0637(7) Uani d . 1 . .
H H17A 0.3542 0.3082 1.2054 0.076 Uiso calc R 1 . .
C C18 0.1066(4) 0.2179(2) 1.13941(14) 0.0627(6) Uani d . 1 . .
H H18A 0.0455 0.2055 1.1914 0.075 Uiso calc R 1 . .
C C19 0.0049(3) 0.17163(19) 1.05273(13) 0.0457(5) Uani d . 1 . .
C C20 -0.1876(3) 0.1079(2) 1.03977(16) 0.0551(5) Uani d . 1 . .
H H20A -0.2563 0.0957 1.0898 0.066 Uiso calc R 1 . .
C C21 -0.2720(3) 0.0644(2) 0.95414(16) 0.0555(5) Uani d . 1 . .
H H21A -0.3993 0.0226 0.9450 0.067 Uiso calc R 1 . .
C C22 -0.1675(3) 0.0825(2) 0.87992(14) 0.0453(5) Uani d . 1 . .
H H22A -0.2273 0.0512 0.8214 0.054 Uiso calc R 1 . .
C C23 0.2953(3) 0.25494(16) 0.98230(12) 0.0361(4) Uani d . 1 . .
C C24 0.0995(3) 0.18802(16) 0.97393(11) 0.0353(4) Uani d . 1 . .
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O1 Mn1 O3 . . 108.58(6) ?
O1 Mn1 N4 . . 157.47(6) ?
O3 Mn1 N4 . . 89.03(6) ?
O1 Mn1 N3 . . 92.51(6) ?
O3 Mn1 N3 . . 157.48(6) ?
N4 Mn1 N3 . . 72.80(5) ?
O1 Mn1 S1 . . 84.17(4) ?
O3 Mn1 S1 . . 93.10(4) ?
N4 Mn1 S1 . . 80.87(4) ?
N3 Mn1 S1 . . 96.91(4) ?
O1 Mn1 S2 . . 96.30(4) ?
O3 Mn1 S2 . . 83.86(4) ?
N4 Mn1 S2 . . 99.54(4) ?
N3 Mn1 S2 . . 86.13(4) ?
S1 Mn1 S2 . . 176.912(18) ?
C2 S1 Mn1 . . 107.54(6) ?
C8 S2 Mn1 . . 100.09(6) ?
C6 O1 Mn1 . . 138.96(12) ?
C12 O3 Mn1 . . 135.54(11) ?
C3 N1 C2 . . 125.06(17) ?
C3 N1 H1A . . 117.5 ?
C2 N1 H1A . . 117.5 ?
C9 N2 C8 . . 124.92(15) ?
C9 N2 H2A . . 117.5 ?
C8 N2 H2A . . 117.5 ?
C13 N3 C23 . . 118.40(17) ?
C13 N3 Mn1 . . 126.38(14) ?
C23 N3 Mn1 . . 115.22(12) ?
C22 N4 C24 . . 118.14(16) ?
C22 N4 Mn1 . . 125.20(12) ?
C24 N4 Mn1 . . 116.64(12) ?
C5 C1 C2 . . 119.49(16) ?
C5 C1 C6 . . 116.59(16) ?
C2 C1 C6 . . 123.92(16) ?
N1 C2 C1 . . 115.39(17) ?
N1 C2 S1 . . 115.66(14) ?
C1 C2 S1 . . 128.81(13) ?
N1 C3 C4 . . 120.12(19) ?
N1 C3 H3A . . 119.9 ?
C4 C3 H3A . . 119.9 ?
C3 C4 C5 . . 118.0(2) ?
C3 C4 H4A . . 121.0 ?
C5 C4 H4A . . 121.0 ?
C1 C5 C4 . . 121.8(2) ?
C1 C5 H5A . . 119.1 ?
C4 C5 H5A . . 119.1 ?
O2 C6 O1 . . 125.14(17) ?
O2 C6 C1 . . 115.33(18) ?
O1 C6 C1 . . 119.43(17) ?
C11 C7 C8 . . 119.22(15) ?
C11 C7 C12 . . 118.48(14) ?
C8 C7 C12 . . 122.28(14) ?
N2 C8 C7 . . 115.82(15) ?
N2 C8 S2 . . 117.91(12) ?
C7 C8 S2 . . 126.25(13) ?
C10 C9 N2 . . 120.07(16) ?
C10 C9 H9A . . 120.0 ?
N2 C9 H9A . . 120.0 ?
C9 C10 C11 . . 118.06(17) ?
C9 C10 H10A . . 121.0 ?
C11 C10 H10A . . 121.0 ?
C7 C11 C10 . . 121.77(16) ?
C7 C11 H11A . . 119.1 ?
C10 C11 H11A . . 119.1 ?
O4 C12 O3 . . 124.89(17) ?
O4 C12 C7 . . 116.47(16) ?
O3 C12 C7 . . 118.57(16) ?
N3 C13 C14 . . 122.4(2) ?
N3 C13 H13A . . 118.8 ?
C14 C13 H13A . . 118.8 ?
C15 C14 C13 . . 119.5(2) ?
C15 C14 H14A . . 120.3 ?
C13 C14 H14A . . 120.3 ?
C14 C15 C16 . . 120.4(2) ?
C14 C15 H15A . . 119.8 ?
C16 C15 H15A . . 119.8 ?
C23 C16 C15 . . 116.3(2) ?
C23 C16 C17 . . 119.1(2) ?
C15 C16 C17 . . 124.6(2) ?
C18 C17 C16 . . 121.4(2) ?
C18 C17 H17A . . 119.3 ?
C16 C17 H17A . . 119.3 ?
C17 C18 C19 . . 121.1(2) ?
C17 C18 H18A . . 119.4 ?
C19 C18 H18A . . 119.4 ?
C20 C19 C24 . . 117.10(18) ?
C20 C19 C18 . . 123.7(2) ?
C24 C19 C18 . . 119.2(2) ?
C21 C20 C19 . . 119.64(19) ?
C21 C20 H20A . . 120.2 ?
C19 C20 H20A . . 120.2 ?
C20 C21 C22 . . 119.6(2) ?
C20 C21 H21A . . 120.2 ?
C22 C21 H21A . . 120.2 ?
N4 C22 C21 . . 122.91(19) ?
N4 C22 H22A . . 118.5 ?
C21 C22 H22A . . 118.5 ?
N3 C23 C16 . . 122.99(18) ?
N3 C23 C24 . . 118.00(15) ?
C16 C23 C24 . . 119.01(18) ?
N4 C24 C19 . . 122.58(18) ?
N4 C24 C23 . . 117.32(16) ?
C19 C24 C23 . . 120.10(17) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Mn1 O1 . 2.0868(14) ?
Mn1 O3 . 2.0975(13) ?
Mn1 N4 . 2.2627(15) ?
Mn1 N3 . 2.2822(15) ?
Mn1 S1 . 2.6067(6) ?
Mn1 S2 . 2.6347(5) ?
S1 C2 . 1.687(2) ?
S2 C8 . 1.7104(17) ?
O1 C6 . 1.254(2) ?
O2 C6 . 1.232(2) ?
O3 C12 . 1.253(2) ?
O4 C12 . 1.243(2) ?
N1 C3 . 1.345(3) ?
N1 C2 . 1.361(2) ?
N1 H1A . 0.8600 ?
N2 C9 . 1.350(2) ?
N2 C8 . 1.357(2) ?
N2 H2A . 0.8600 ?
N3 C13 . 1.326(3) ?
N3 C23 . 1.359(2) ?
N4 C22 . 1.329(2) ?
N4 C24 . 1.349(2) ?
C1 C5 . 1.375(3) ?
C1 C2 . 1.417(2) ?
C1 C6 . 1.506(2) ?
C3 C4 . 1.352(3) ?
C3 H3A . 0.9300 ?
C4 C5 . 1.387(3) ?
C4 H4A . 0.9300 ?
C5 H5A . 0.9300 ?
C7 C11 . 1.380(2) ?
C7 C8 . 1.416(2) ?
C7 C12 . 1.514(2) ?
C9 C10 . 1.350(3) ?
C9 H9A . 0.9300 ?
C10 C11 . 1.391(3) ?
C10 H10A . 0.9300 ?
C11 H11A . 0.9300 ?
C13 C14 . 1.394(3) ?
C13 H13A . 0.9300 ?
C14 C15 . 1.356(4) ?
C14 H14A . 0.9300 ?
C15 C16 . 1.409(3) ?
C15 H15A . 0.9300 ?
C16 C23 . 1.406(3) ?
C16 C17 . 1.433(3) ?
C17 C18 . 1.349(4) ?
C17 H17A . 0.9300 ?
C18 C19 . 1.417(3) ?
C18 H18A . 0.9300 ?
C19 C20 . 1.408(3) ?
C19 C24 . 1.409(3) ?
C20 C21 . 1.352(3) ?
C20 H20A . 0.9300 ?
C21 C22 . 1.388(3) ?
C21 H21A . 0.9300 ?
C22 H22A . 0.9300 ?
C23 C24 . 1.440(3) ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
N1 H1A O2 1_455 0.86 1.86 2.654(2) 152.2
N2 H2A O4 1_655 0.86 2.00 2.7476(19) 145.1
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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
O1 Mn1 S1 C2 . . . . 17.56(8) ?
O3 Mn1 S1 C2 . . . . -90.82(8) ?
N4 Mn1 S1 C2 . . . . -179.34(8) ?
N3 Mn1 S1 C2 . . . . 109.40(8) ?
O1 Mn1 S2 C8 . . . . -66.71(8) ?
O3 Mn1 S2 C8 . . . . 41.38(7) ?
N4 Mn1 S2 C8 . . . . 129.35(7) ?
N3 Mn1 S2 C8 . . . . -158.82(7) ?
O3 Mn1 O1 C6 . . . . 110.0(2) ?
N4 Mn1 O1 C6 . . . . -29.8(3) ?
N3 Mn1 O1 C6 . . . . -78.0(2) ?
S1 Mn1 O1 C6 . . . . 18.7(2) ?
S2 Mn1 O1 C6 . . . . -164.4(2) ?
O1 Mn1 O3 C12 . . . . 82.40(19) ?
N4 Mn1 O3 C12 . . . . -111.92(19) ?
N3 Mn1 O3 C12 . . . . -76.3(2) ?
S1 Mn1 O3 C12 . . . . 167.29(18) ?
S2 Mn1 O3 C12 . . . . -12.21(18) ?
O1 Mn1 N3 C13 . . . . -16.56(16) ?
O3 Mn1 N3 C13 . . . . 143.27(15) ?
N4 Mn1 N3 C13 . . . . -179.17(16) ?
S1 Mn1 N3 C13 . . . . -100.99(15) ?
S2 Mn1 N3 C13 . . . . 79.59(15) ?
O1 Mn1 N3 C23 . . . . 163.68(12) ?
O3 Mn1 N3 C23 . . . . -36.5(2) ?
N4 Mn1 N3 C23 . . . . 1.07(12) ?
S1 Mn1 N3 C23 . . . . 79.25(12) ?
S2 Mn1 N3 C23 . . . . -100.17(12) ?
O1 Mn1 N4 C22 . . . . 126.74(18) ?
O3 Mn1 N4 C22 . . . . -15.55(16) ?
N3 Mn1 N4 C22 . . . . 177.95(17) ?
S1 Mn1 N4 C22 . . . . 77.74(15) ?
S2 Mn1 N4 C22 . . . . -99.16(15) ?
O1 Mn1 N4 C24 . . . . -51.5(2) ?
O3 Mn1 N4 C24 . . . . 166.18(12) ?
N3 Mn1 N4 C24 . . . . -0.32(12) ?
S1 Mn1 N4 C24 . . . . -100.53(12) ?
S2 Mn1 N4 C24 . . . . 82.57(12) ?
C3 N1 C2 C1 . . . . -2.9(3) ?
C3 N1 C2 S1 . . . . 173.17(17) ?
C5 C1 C2 N1 . . . . 3.4(3) ?
C6 C1 C2 N1 . . . . -177.32(16) ?
C5 C1 C2 S1 . . . . -172.10(15) ?
C6 C1 C2 S1 . . . . 7.2(3) ?
Mn1 S1 C2 N1 . . . . 154.39(12) ?
Mn1 S1 C2 C1 . . . . -30.14(18) ?
C2 N1 C3 C4 . . . . 1.3(3) ?
N1 C3 C4 C5 . . . . 0.0(4) ?
C2 C1 C5 C4 . . . . -2.4(3) ?
C6 C1 C5 C4 . . . . 178.2(2) ?
C3 C4 C5 C1 . . . . 0.7(4) ?
Mn1 O1 C6 O2 . . . . 135.3(2) ?
Mn1 O1 C6 C1 . . . . -48.4(3) ?
C5 C1 C6 O2 . . . . 30.9(3) ?
C2 C1 C6 O2 . . . . -148.4(2) ?
C5 C1 C6 O1 . . . . -145.71(19) ?
C2 C1 C6 O1 . . . . 35.0(3) ?
C9 N2 C8 C7 . . . . 3.7(3) ?
C9 N2 C8 S2 . . . . -178.04(14) ?
C11 C7 C8 N2 . . . . -2.6(2) ?
C12 C7 C8 N2 . . . . 175.75(15) ?
C11 C7 C8 S2 . . . . 179.31(13) ?
C12 C7 C8 S2 . . . . -2.4(2) ?
Mn1 S2 C8 N2 . . . . 139.27(12) ?
Mn1 S2 C8 C7 . . . . -42.63(16) ?
C8 N2 C9 C10 . . . . -1.3(3) ?
N2 C9 C10 C11 . . . . -2.1(3) ?
C8 C7 C11 C10 . . . . -0.7(3) ?
C12 C7 C11 C10 . . . . -179.05(17) ?
C9 C10 C11 C7 . . . . 3.1(3) ?
Mn1 O3 C12 O4 . . . . 149.82(16) ?
Mn1 O3 C12 C7 . . . . -33.4(3) ?
C11 C7 C12 O4 . . . . 47.6(2) ?
C8 C7 C12 O4 . . . . -130.75(18) ?
C11 C7 C12 O3 . . . . -129.52(18) ?
C8 C7 C12 O3 . . . . 52.2(2) ?
C23 N3 C13 C14 . . . . -0.2(3) ?
Mn1 N3 C13 C14 . . . . -179.96(15) ?
N3 C13 C14 C15 . . . . 1.1(3) ?
C13 C14 C15 C16 . . . . -0.9(4) ?
C14 C15 C16 C23 . . . . -0.1(3) ?
C14 C15 C16 C17 . . . . 179.9(2) ?
C23 C16 C17 C18 . . . . -2.3(4) ?
C15 C16 C17 C18 . . . . 177.7(2) ?
C16 C17 C18 C19 . . . . 0.7(4) ?
C17 C18 C19 C20 . . . . -179.2(2) ?
C17 C18 C19 C24 . . . . 1.5(3) ?
C24 C19 C20 C21 . . . . 0.8(3) ?
C18 C19 C20 C21 . . . . -178.5(2) ?
C19 C20 C21 C22 . . . . 0.4(4) ?
C24 N4 C22 C21 . . . . -0.3(3) ?
Mn1 N4 C22 C21 . . . . -178.51(16) ?
C20 C21 C22 N4 . . . . -0.7(4) ?
C13 N3 C23 C16 . . . . -0.9(3) ?
Mn1 N3 C23 C16 . . . . 178.93(14) ?
C13 N3 C23 C24 . . . . 178.52(16) ?
Mn1 N3 C23 C24 . . . . -1.7(2) ?
C15 C16 C23 N3 . . . . 1.0(3) ?
C17 C16 C23 N3 . . . . -178.98(18) ?
C15 C16 C23 C24 . . . . -178.36(18) ?
C17 C16 C23 C24 . . . . 1.7(3) ?
C22 N4 C24 C19 . . . . 1.5(3) ?
Mn1 N4 C24 C19 . . . . 179.91(14) ?
C22 N4 C24 C23 . . . . -178.83(17) ?
Mn1 N4 C24 C23 . . . . -0.4(2) ?
C20 C19 C24 N4 . . . . -1.8(3) ?
C18 C19 C24 N4 . . . . 177.53(18) ?
C20 C19 C24 C23 . . . . 178.59(18) ?
C18 C19 C24 C23 . . . . -2.1(3) ?
N3 C23 C24 N4 . . . . 1.4(2) ?
C16 C23 C24 N4 . . . . -179.16(16) ?
N3 C23 C24 C19 . . . . -178.88(16) ?
C16 C23 C24 C19 . . . . 0.5(3) ?
