data_c12h23cl4mn2no5
_audit_creation_date               2023-09-04
_audit_creation_method
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number       '2018/3'
_audit_contact_author_address      ?
_audit_contact_author_email        ?
_audit_contact_author_name         ''
_audit_contact_author_phone        ?
_publ_contact_author_id_orcid      ?
_publ_section_references
;
Bourhis, L.J., Dolomanov, O.V., Gildea, R.J., Howard, J.A.K., Puschmann, H.
 (2015). Acta Cryst. A71, 59-75.

Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
 (2009), J. Appl. Cryst. 42, 339-341.

Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.
;
_chemical_name_common              ?
_chemical_name_systematic          ?
_chemical_formula_moiety           'C12 H23 Cl4 Mn2 N O5'
_chemical_formula_sum              'C12 H23 Cl4 Mn2 N O5'
_chemical_formula_weight           512.99
_chemical_melting_point            ?
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'
 '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'
 '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'

_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.
;
_space_group_crystal_system        'monoclinic'
_space_group_IT_number             14
_space_group_name_H-M_alt          'P 1 21/n 1'
_space_group_name_Hall             '-P 2yn'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x+1/2, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x-1/2, -y-1/2, z-1/2'

_cell_length_a                     9.2163(18)
_cell_length_b                     13.278(3)
_cell_length_c                     17.365(4)
_cell_angle_alpha                  90
_cell_angle_beta                   95.41(3)
_cell_angle_gamma                  90
_cell_volume                       2115.6(7)
_cell_formula_units_Z              4
_cell_measurement_reflns_used      31580
_cell_measurement_temperature      293(2)
_cell_measurement_theta_max        26.448
_cell_measurement_theta_min        2.413
_shelx_estimated_absorpt_T_max     ?
_shelx_estimated_absorpt_T_min     ?
_exptl_absorpt_coefficient_mu      1.718
_exptl_absorpt_correction_T_max    1.00000
_exptl_absorpt_correction_T_min    0.45338
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.28b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              colorless
_exptl_crystal_density_diffrn      1.611
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         block
_exptl_crystal_F_000               1040
_exptl_crystal_size_max            0.25
_exptl_crystal_size_mid            0.15
_exptl_crystal_size_min            0.1
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0585
_diffrn_reflns_av_unetI/netI       0.0316
_diffrn_reflns_Laue_measured_fraction_full  0.998
_diffrn_reflns_Laue_measured_fraction_max  0.993
_diffrn_reflns_limit_h_max         11
_diffrn_reflns_limit_h_min         -11
_diffrn_reflns_limit_k_max         16
_diffrn_reflns_limit_k_min         -16
_diffrn_reflns_limit_l_max         21
_diffrn_reflns_limit_l_min         -21
_diffrn_reflns_number              31580
_diffrn_reflns_point_group_measured_fraction_full  0.998
_diffrn_reflns_point_group_measured_fraction_max  0.993
_diffrn_reflns_theta_full          25.242
_diffrn_reflns_theta_max           26.448
_diffrn_reflns_theta_min           2.413
_diffrn_ambient_temperature        293(2)
_diffrn_detector_area_resol_mean   ?
_diffrn_measured_fraction_theta_full  0.998
_diffrn_measured_fraction_theta_max  0.993
_diffrn_measurement_device_type    'XtaLAB AFC12 (RCD3): Kappa single'
_diffrn_measurement_method         'ω scans'
_diffrn_radiation_type             MoK\a
_diffrn_radiation_wavelength       0.71073
_diffrn_source                     ?
_reflns_Friedel_coverage           0.000
_reflns_Friedel_fraction_full      .
_reflns_Friedel_fraction_max       .
_reflns_number_gt                  3585
_reflns_number_total               4337
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression       'I > 2σ(I)'
_computing_cell_refinement         'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)'
_computing_data_collection         'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)'
_computing_data_reduction          'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)'
_computing_molecular_graphics      'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement    'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution      'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max           0.731
_refine_diff_density_min           -0.763
_refine_diff_density_rms           0.251
_refine_ls_extinction_coef         0.0148(8)
_refine_ls_extinction_expression  
 'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
_refine_ls_extinction_method       'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref     1.130
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       218
_refine_ls_number_reflns           4337
_refine_ls_number_restraints       0
_refine_ls_R_factor_all            0.0449
_refine_ls_R_factor_gt             0.0325
_refine_ls_restrained_S_all        1.130
_refine_ls_shift/su_max            0.002
_refine_ls_shift/su_mean           0.000
_refine_ls_structure_factor_coef   Fsqd
_refine_ls_weighting_details      
 'w=1/[σ²(Fo²)+(0.0544P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.0821
_refine_ls_wR_factor_ref           0.0931
_refine_special_details            ?
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups, All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C1(H1a,H1b), C2(H2a,H2b), C3(H3a,H3b), C4(H4a,H4b), C5(H5a,H5b), C6(H6a,H6b),
 C7(H7a,H7b), C8(H8a,H8b), C9(H9a,H9b), C10(H10a,H10b)
2.b Idealised Me refined with riding coordinates:
 C12(H12a,H12b,H12c)
;
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary       iterative
_atom_sites_solution_secondary     ?
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 0.46655(3) 0.66066(2) 0.74523(2) 0.03222(12) Uani 1 1 d . . . . .
 Mn2 Mn 0.72943(4) 0.75117(2) 0.55115(2) 0.03499(12) Uani 1 1 d . . . . .
 Cl2 Cl 0.83632(7) 0.59013(5) 0.55041(4) 0.04767(17) Uani 1 1 d . . . . .
 Cl3 Cl 0.91483(7) 0.87181(5) 0.55607(4) 0.05246(18) Uani 1 1 d . . . . .
 Cl1 Cl 0.59701(7) 0.78351(5) 0.66373(3) 0.04801(18) Uani 1 1 d . . . . .
 Cl4 Cl 0.54649(8) 0.76611(6) 0.44781(4) 0.0599(2) Uani 1 1 d . . . . .
 O1 O 0.35916(17) 0.56807(12) 0.64603(8) 0.0405(4) Uani 1 1 d . . . . .
 C1 C 0.2489(3) 0.6234(2) 0.59996(14) 0.0553(7) Uani 1 1 d . . . . .
 H1A H 0.187972 0.577981 0.567287 0.066 Uiso 1 1 calc R U . . .
 H1B H 0.293227 0.671445 0.567222 0.066 Uiso 1 1 calc R U . . .
 C2 C 0.1604(3) 0.6768(2) 0.65459(15) 0.0556(7) Uani 1 1 d . . . . .
 H2A H 0.086392 0.717966 0.626416 0.067 Uiso 1 1 calc R U . . .
 H2B H 0.112679 0.628690 0.685864 0.067 Uiso 1 1 calc R U . . .
 O2 O 0.26033(18) 0.73916(12) 0.70301(9) 0.0432(4) Uani 1 1 d . . . . .
 C3 C 0.1945(3) 0.7950(2) 0.76103(15) 0.0540(7) Uani 1 1 d . . . . .
 H3A H 0.144051 0.750029 0.793519 0.065 Uiso 1 1 calc R U . . .
 H3B H 0.124797 0.843099 0.737209 0.065 Uiso 1 1 calc R U . . .
 C4 C 0.3156(3) 0.8488(2) 0.80817(16) 0.0596(8) Uani 1 1 d . . . . .
 H4A H 0.358889 0.899170 0.776976 0.072 Uiso 1 1 calc R U . . .
 H4B H 0.278725 0.882025 0.852082 0.072 Uiso 1 1 calc R U . . .
 O3 O 0.42101(18) 0.77480(12) 0.83388(9) 0.0460(4) Uani 1 1 d . . . . .
 C5 C 0.5465(3) 0.8098(3) 0.88057(16) 0.0649(8) Uani 1 1 d . . . . .
 H5A H 0.517882 0.841811 0.927047 0.078 Uiso 1 1 calc R U . . .
 H5B H 0.599063 0.858590 0.852247 0.078 Uiso 1 1 calc R U . . .
 C6 C 0.6395(3) 0.7209(3) 0.90092(15) 0.0686(9) Uani 1 1 d . . . . .
 H6A H 0.731914 0.742148 0.927340 0.082 Uiso 1 1 calc R U . . .
 H6B H 0.591794 0.676547 0.935027 0.082 Uiso 1 1 calc R U . . .
 O4 O 0.66304(19) 0.66981(15) 0.83129(9) 0.0528(5) Uani 1 1 d . . . . .
 C7 C 0.7454(3) 0.5804(3) 0.83854(18) 0.0743(9) Uani 1 1 d . . . . .
 H7A H 0.702204 0.534438 0.873289 0.089 Uiso 1 1 calc R U . . .
 H7B H 0.843817 0.595561 0.860330 0.089 Uiso 1 1 calc R U . . .
 C8 C 0.7498(3) 0.5329(2) 0.76268(18) 0.0705(8) Uani 1 1 d . . . . .
 H8A H 0.822008 0.566245 0.734439 0.085 Uiso 1 1 calc R U . . .
 H8B H 0.777846 0.462745 0.769334 0.085 Uiso 1 1 calc R U . . .
 O5 O 0.61242(19) 0.53917(14) 0.72043(10) 0.0559(5) Uani 1 1 d . . . . .
 C9 C 0.5757(3) 0.47149(18) 0.65752(15) 0.0515(6) Uani 1 1 d . . . . .
 H9A H 0.536301 0.409465 0.676462 0.062 Uiso 1 1 calc R U . . .
 H9B H 0.661895 0.455321 0.631959 0.062 Uiso 1 1 calc R U . . .
 C10 C 0.4650(3) 0.52178(19) 0.60212(14) 0.0483(6) Uani 1 1 d . . . . .
 H10A H 0.511387 0.572236 0.572327 0.058 Uiso 1 1 calc R U . . .
 H10B H 0.418375 0.472650 0.566589 0.058 Uiso 1 1 calc R U . . .
 N1 N 0.3402(2) 0.56045(16) 0.82104(11) 0.0500(5) Uani 1 1 d . . . . .
 C11 C 0.2810(3) 0.51931(18) 0.86542(13) 0.0425(5) Uani 1 1 d . . . . .
 C12 C 0.2041(3) 0.4657(2) 0.92163(14) 0.0582(7) Uani 1 1 d . . . . .
 H12A H 0.268703 0.418183 0.948750 0.070 Uiso 1 1 calc R U . . .
 H12B H 0.122565 0.430580 0.895629 0.070 Uiso 1 1 calc R U . . .
 H12C H 0.169896 0.512746 0.957808 0.070 Uiso 1 1 calc R U . . .


_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
 Mn1 Cl1 2.5359(8) . ?
 Mn1 O1 2.2664(16) . ?
 Mn1 O2 2.2301(17) . ?
 Mn1 O3 2.2283(15) . ?
 Mn1 O4 2.2399(18) . ?
 Mn1 O5 2.1690(17) . ?
 Mn1 N1 2.269(2) . ?
 Mn2 Cl2 2.3548(8) . ?
 Mn2 Cl3 2.3378(8) . ?
 Mn2 Cl1 2.4386(9) . ?
 Mn2 Cl4 2.3519(10) . ?
 O1 C1 1.435(3) . ?
 O1 C10 1.432(3) . ?
 C1 H1A 0.9700 . ?
 C1 H1B 0.9700 . ?
 C1 C2 1.487(4) . ?
 C2 H2A 0.9700 . ?
 C2 H2B 0.9700 . ?
 C2 O2 1.448(3) . ?
 O2 C3 1.432(3) . ?
 C3 H3A 0.9700 . ?
 C3 H3B 0.9700 . ?
 C3 C4 1.501(4) . ?
 C4 H4A 0.9700 . ?
 C4 H4B 0.9700 . ?
 C4 O3 1.423(3) . ?
 O3 C5 1.426(3) . ?
 C5 H5A 0.9700 . ?
 C5 H5B 0.9700 . ?
 C5 C6 1.482(5) . ?
 C6 H6A 0.9700 . ?
 C6 H6B 0.9700 . ?
 C6 O4 1.421(3) . ?
 O4 C7 1.409(4) . ?
 C7 H7A 0.9700 . ?
 C7 H7B 0.9700 . ?
 C7 C8 1.465(4) . ?
 C8 H8A 0.9700 . ?
 C8 H8B 0.9700 . ?
 C8 O5 1.405(3) . ?
 O5 C9 1.430(3) . ?
 C9 H9A 0.9700 . ?
 C9 H9B 0.9700 . ?
 C9 C10 1.492(4) . ?
 C10 H10A 0.9700 . ?
 C10 H10B 0.9700 . ?
 N1 C11 1.126(3) . ?
 C11 C12 1.447(3) . ?
 C12 H12A 0.9600 . ?
 C12 H12B 0.9600 . ?
 C12 H12C 0.9600 . ?

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 Mn1 Cl1 96.94(4) . . ?
 O1 Mn1 N1 84.93(7) . . ?
 O2 Mn1 Cl1 87.14(5) . . ?
 O2 Mn1 O1 72.91(6) . . ?
 O2 Mn1 O4 143.54(7) . . ?
 O2 Mn1 N1 89.81(7) . . ?
 O3 Mn1 Cl1 94.48(5) . . ?
 O3 Mn1 O1 142.83(6) . . ?
 O3 Mn1 O2 72.48(6) . . ?
 O3 Mn1 O4 72.26(7) . . ?
 O3 Mn1 N1 81.81(7) . . ?
 O4 Mn1 Cl1 86.64(5) . . ?
 O4 Mn1 O1 143.53(6) . . ?
 O4 Mn1 N1 94.11(7) . . ?
 O5 Mn1 Cl1 91.85(6) . . ?
 O5 Mn1 O1 71.34(6) . . ?
 O5 Mn1 O2 143.84(6) . . ?
 O5 Mn1 O3 143.49(7) . . ?
 O5 Mn1 O4 72.28(7) . . ?
 O5 Mn1 N1 92.34(8) . . ?
 N1 Mn1 Cl1 175.78(6) . . ?
 Cl2 Mn2 Cl1 113.93(3) . . ?
 Cl3 Mn2 Cl2 108.52(3) . . ?
 Cl3 Mn2 Cl1 105.62(3) . . ?
 Cl3 Mn2 Cl4 116.04(3) . . ?
 Cl4 Mn2 Cl2 110.03(3) . . ?
 Cl4 Mn2 Cl1 102.70(3) . . ?
 Mn2 Cl1 Mn1 129.32(3) . . ?
 C1 O1 Mn1 112.42(14) . . ?
 C10 O1 Mn1 111.53(13) . . ?
 C10 O1 C1 113.90(18) . . ?
 O1 C1 H1A 110.3 . . ?
 O1 C1 H1B 110.3 . . ?
 O1 C1 C2 106.88(19) . . ?
 H1A C1 H1B 108.6 . . ?
 C2 C1 H1A 110.3 . . ?
 C2 C1 H1B 110.3 . . ?
 C1 C2 H2A 110.4 . . ?
 C1 C2 H2B 110.4 . . ?
 H2A C2 H2B 108.6 . . ?
 O2 C2 C1 106.6(2) . . ?
 O2 C2 H2A 110.4 . . ?
 O2 C2 H2B 110.4 . . ?
 C2 O2 Mn1 113.52(14) . . ?
 C3 O2 Mn1 114.55(14) . . ?
 C3 O2 C2 114.6(2) . . ?
 O2 C3 H3A 110.4 . . ?
 O2 C3 H3B 110.4 . . ?
 O2 C3 C4 106.7(2) . . ?
 H3A C3 H3B 108.6 . . ?
 C4 C3 H3A 110.4 . . ?
 C4 C3 H3B 110.4 . . ?
 C3 C4 H4A 110.3 . . ?
 C3 C4 H4B 110.3 . . ?
 H4A C4 H4B 108.6 . . ?
 O3 C4 C3 107.1(2) . . ?
 O3 C4 H4A 110.3 . . ?
 O3 C4 H4B 110.3 . . ?
 C4 O3 Mn1 114.84(14) . . ?
 C4 O3 C5 116.5(2) . . ?
 C5 O3 Mn1 114.79(15) . . ?
 O3 C5 H5A 110.3 . . ?
 O3 C5 H5B 110.3 . . ?
 O3 C5 C6 107.2(2) . . ?
 H5A C5 H5B 108.5 . . ?
 C6 C5 H5A 110.3 . . ?
 C6 C5 H5B 110.3 . . ?
 C5 C6 H6A 110.1 . . ?
 C5 C6 H6B 110.1 . . ?
 H6A C6 H6B 108.4 . . ?
 O4 C6 C5 108.0(2) . . ?
 O4 C6 H6A 110.1 . . ?
 O4 C6 H6B 110.1 . . ?
 C6 O4 Mn1 114.53(15) . . ?
 C7 O4 Mn1 114.15(16) . . ?
 C7 O4 C6 116.8(2) . . ?
 O4 C7 H7A 109.6 . . ?
 O4 C7 H7B 109.6 . . ?
 O4 C7 C8 110.1(2) . . ?
 H7A C7 H7B 108.2 . . ?
 C8 C7 H7A 109.6 . . ?
 C8 C7 H7B 109.6 . . ?
 C7 C8 H8A 109.6 . . ?
 C7 C8 H8B 109.6 . . ?
 H8A C8 H8B 108.2 . . ?
 O5 C8 C7 110.1(2) . . ?
 O5 C8 H8A 109.6 . . ?
 O5 C8 H8B 109.6 . . ?
 C8 O5 Mn1 119.07(16) . . ?
 C8 O5 C9 119.9(2) . . ?
 C9 O5 Mn1 120.83(15) . . ?
 O5 C9 H9A 110.1 . . ?
 O5 C9 H9B 110.1 . . ?
 O5 C9 C10 108.03(19) . . ?
 H9A C9 H9B 108.4 . . ?
 C10 C9 H9A 110.1 . . ?
 C10 C9 H9B 110.1 . . ?
 O1 C10 C9 107.90(19) . . ?
 O1 C10 H10A 110.1 . . ?
 O1 C10 H10B 110.1 . . ?
 C9 C10 H10A 110.1 . . ?
 C9 C10 H10B 110.1 . . ?
 H10A C10 H10B 108.4 . . ?
 C11 N1 Mn1 171.6(2) . . ?
 N1 C11 C12 179.3(3) . . ?
 C11 C12 H12A 109.5 . . ?
 C11 C12 H12B 109.5 . . ?
 C11 C12 H12C 109.5 . . ?
 H12A C12 H12B 109.5 . . ?
 H12A C12 H12C 109.5 . . ?
 H12B C12 H12C 109.5 . . ?

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
 C2 H2A Cl3 0.97 2.79 3.745(3) 167.2 1_455 yes
 C3 H3A Cl4 0.97 2.91 3.725(3) 141.9 4_576 yes
 C5 H5A Cl2 0.97 2.98 3.910(3) 161.0 4_576 yes
 C6 H6A Cl4 0.97 2.89 3.766(3) 150.8 4_676 yes
 C6 H6B Cl3 0.97 2.85 3.757(3) 155.6 4_576 yes
 C7 H7A Cl3 0.97 2.75 3.703(4) 166.4 2_646 yes
 C7 H7B Cl4 0.97 2.94 3.802(3) 148.9 4_676 yes
 C8 H8B Cl1 0.97 2.84 3.774(3) 160.8 2_646 yes
 C9 H9B Cl2 0.97 2.87 3.543(3) 127.5 . yes
 C12 H12B Cl1 0.96 2.93 3.869(3) 166.8 2_546 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
  _geom_torsion_publ_flag
 Mn1 O1 C1 C2 -44.8(2) . . . . ?
 Mn1 O1 C10 C9 48.8(2) . . . . ?
 Mn1 O2 C3 C4 42.4(2) . . . . ?
 Mn1 O3 C5 C6 -42.1(2) . . . . ?
 Mn1 O4 C7 C8 38.1(3) . . . . ?
 Mn1 O5 C9 C10 21.0(3) . . . . ?
 O1 C1 C2 O2 57.5(3) . . . . ?
 C1 O1 C10 C9 177.4(2) . . . . ?
 C1 C2 O2 Mn1 -44.3(2) . . . . ?
 C1 C2 O2 C3 -178.6(2) . . . . ?
 C2 O2 C3 C4 176.2(2) . . . . ?
 O2 C3 C4 O3 -53.6(3) . . . . ?
 C3 C4 O3 Mn1 42.0(2) . . . . ?
 C3 C4 O3 C5 -179.67(19) . . . . ?
 C4 O3 C5 C6 179.6(2) . . . . ?
 O3 C5 C6 O4 52.7(3) . . . . ?
 C5 C6 O4 Mn1 -40.6(3) . . . . ?
 C5 C6 O4 C7 -177.8(2) . . . . ?
 C6 O4 C7 C8 175.5(3) . . . . ?
 O4 C7 C8 O5 -40.9(4) . . . . ?
 C7 C8 O5 Mn1 26.2(3) . . . . ?
 C7 C8 O5 C9 -159.3(2) . . . . ?
 C8 O5 C9 C10 -153.3(2) . . . . ?
 O5 C9 C10 O1 -44.3(2) . . . . ?
 C10 O1 C1 C2 -172.9(2) . . . . ?

_olex2_submission_special_instructions  'No special instructions were received'
