# Supplementary Information (SI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ard_mn_dipap_autored
_database_code_depnum_ccdc_archive 'CCDC 2063724'
loop_
_audit_author_name
_audit_author_address
'Chandan Das Somnath Guria Arnab Dutta'
;IIT Bombay
India
;
_audit_update_record             
;
2021-02-18 deposited with the CCDC.	2024-08-14 downloaded from the CCDC.
;
_audit_creation_date             2021-02-18
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C20 H13 Br Mn N5 O3'
_chemical_formula_sum            'C20 H13 Br Mn N5 O3'
_chemical_formula_weight         506.20
_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'
Br Br -0.2901 2.4595 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   7.9986(2)
_cell_length_b                   11.2283(5)
_cell_length_c                   12.0453(6)
_cell_angle_alpha                75.135(4)
_cell_angle_beta                 71.203(4)
_cell_angle_gamma                79.420(3)
_cell_volume                     983.78(8)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    4815
_cell_measurement_temperature    150.00(10)
_cell_measurement_theta_max      23.0090
_cell_measurement_theta_min      1.8760
_shelx_estimated_absorpt_T_max   0.973
_shelx_estimated_absorpt_T_min   0.947
_exptl_absorpt_coefficient_mu    2.735
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.81884
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.93a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear dark green'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.709
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             504
_exptl_crystal_size_max          0.02
_exptl_crystal_size_mid          0.012
_exptl_crystal_size_min          0.01
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1143
_diffrn_reflns_av_unetI/netI     0.1318
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.883
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            46525
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.883
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         33.859
_diffrn_reflns_theta_min         1.827
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.883
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  φ   -349.73  10.27   1.00    2.00   6.61  -9.84 -31.50    --   360
  2  ω    -61.53  -7.53   1.00    2.00    --   -9.90 104.39 174.60   54
  3  ω    -50.38  22.62   1.00    2.00    --   -9.90  84.14  -3.46   73
  4  ω   -100.81  15.19   1.00    2.00    --   -9.84 -59.25-123.92  116
  5  ω    -54.64   3.36   1.00    2.00    --   -9.90  92.06  49.39   58
  6  ω   -100.81  15.19   1.00    2.00    --   -9.84 -59.25  20.08  116
  7  φ   -339.92  20.08   1.00    2.00  15.81  -9.84 -59.25    --   360
;
_diffrn_measurement_device       'abstract diffractometer'
_diffrn_measurement_device_type  
'Saxi-CrysAlisPro-abstract goniometer imported SAXI images'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0110954000
_diffrn_orient_matrix_UB_12      0.0124637000
_diffrn_orient_matrix_UB_13      0.0518775000
_diffrn_orient_matrix_UB_21      0.0111024000
_diffrn_orient_matrix_UB_22      0.0624738000
_diffrn_orient_matrix_UB_23      -0.0301185000
_diffrn_orient_matrix_UB_31      -0.0929335000
_diffrn_orient_matrix_UB_32      0.0163091000
_diffrn_orient_matrix_UB_33      0.0212882000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4020
_reflns_number_total             7006
_reflns_odcompleteness_completeness 88.28
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     33.78
_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 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.626
_refine_diff_density_min         -0.700
_refine_diff_density_rms         0.128
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     271
_refine_ls_number_reflns         7006
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1432
_refine_ls_R_factor_gt           0.0546
_refine_ls_restrained_S_all      1.035
_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)+(0.0294P)²+0.2916P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0817
_refine_ls_wR_factor_ref         0.1003
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C6(H6), C7(H7), C8(H8), C11(H11), C12(H12), C13(H13),
 C16(H16), C17(H17), C18(H18), C19(H19), C20(H20)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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
Br1 Br 0.49106(4) 0.76269(3) 0.87996(3) 0.02677(9) Uani 1 1 d . . . . .
Mn1 Mn 0.39520(5) 0.79074(4) 0.69420(4) 0.01996(11) Uani 1 1 d . . . . .
O1 O 0.3388(3) 1.0599(2) 0.6858(2) 0.0389(6) Uani 1 1 d . . . . .
O2 O 0.3016(3) 0.8324(2) 0.4698(2) 0.0409(6) Uani 1 1 d . . . . .
O3 O 0.7729(3) 0.8313(2) 0.56316(19) 0.0334(5) Uani 1 1 d . . . . .
N1 N 0.1592(3) 0.7572(2) 0.8072(2) 0.0206(5) Uani 1 1 d . . . . .
N2 N 0.1344(3) 0.6489(2) 0.8707(2) 0.0204(5) Uani 1 1 d . . . . .
N3 N 0.4062(3) 0.6021(2) 0.72889(19) 0.0182(5) Uani 1 1 d . . . . .
N4 N 0.6501(3) 0.5654(2) 0.5685(2) 0.0210(5) Uani 1 1 d . . . . .
N5 N 0.7375(3) 0.4824(2) 0.5128(2) 0.0232(5) Uani 1 1 d . . . . .
C1 C 0.3592(4) 0.9556(3) 0.6888(2) 0.0243(6) Uani 1 1 d . . . . .
C2 C 0.3377(4) 0.8145(3) 0.5557(3) 0.0261(7) Uani 1 1 d . . . . .
C3 C 0.6301(4) 0.8098(3) 0.6124(3) 0.0248(6) Uani 1 1 d . . . . .
C4 C -0.0489(4) 0.9330(3) 0.7533(3) 0.0287(7) Uani 1 1 d . . . . .
H4 H 0.006117 0.930049 0.671217 0.034 Uiso 1 1 calc R . . . .
C5 C -0.1909(4) 1.0208(3) 0.7851(3) 0.0341(8) Uani 1 1 d . . . . .
H5 H -0.237474 1.076132 0.725245 0.041 Uiso 1 1 calc R . . . .
C6 C -0.2654(4) 1.0278(3) 0.9051(3) 0.0311(7) Uani 1 1 d . . . . .
H6 H -0.360600 1.089729 0.926983 0.037 Uiso 1 1 calc R . . . .
C7 C -0.2016(4) 0.9457(3) 0.9916(3) 0.0286(7) Uani 1 1 d . . . . .
H7 H -0.252358 0.951369 1.073296 0.034 Uiso 1 1 calc R . . . .
C8 C -0.0635(4) 0.8542(3) 0.9612(3) 0.0245(6) Uani 1 1 d . . . . .
H8 H -0.021677 0.795760 1.021505 0.029 Uiso 1 1 calc R . . . .
C9 C 0.0121(3) 0.8497(3) 0.8415(2) 0.0210(6) Uani 1 1 d . . . . .
C10 C 0.2739(3) 0.5600(3) 0.8287(2) 0.0198(6) Uani 1 1 d . . . . .
C11 C 0.2619(3) 0.4371(3) 0.8840(3) 0.0236(6) Uani 1 1 d . . . . .
H11 H 0.169645 0.412867 0.955386 0.028 Uiso 1 1 calc R . . . .
C12 C 0.3889(4) 0.3500(3) 0.8323(3) 0.0262(7) Uani 1 1 d . . . . .
H12 H 0.387739 0.264371 0.869178 0.031 Uiso 1 1 calc R . . . .
C13 C 0.5168(3) 0.3890(3) 0.7268(3) 0.0228(6) Uani 1 1 d . . . . .
H13 H 0.601319 0.330229 0.687948 0.027 Uiso 1 1 calc R . . . .
C14 C 0.5214(3) 0.5151(3) 0.6774(2) 0.0191(6) Uani 1 1 d . . . . .
C15 C 0.8687(3) 0.5248(3) 0.4046(2) 0.0213(6) Uani 1 1 d . . . . .
C16 C 0.8938(4) 0.6485(3) 0.3536(3) 0.0268(7) Uani 1 1 d . . . . .
H16 H 0.820217 0.712191 0.391209 0.032 Uiso 1 1 calc R . . . .
C17 C 1.0272(4) 0.6779(3) 0.2475(3) 0.0330(7) Uani 1 1 d . . . . .
H17 H 1.045984 0.762201 0.212607 0.040 Uiso 1 1 calc R . . . .
C18 C 1.1337(4) 0.5852(3) 0.1918(3) 0.0337(8) Uani 1 1 d . . . . .
H18 H 1.223845 0.606372 0.118378 0.040 Uiso 1 1 calc R . . . .
C19 C 1.1093(4) 0.4626(3) 0.2422(3) 0.0318(8) Uani 1 1 d . . . . .
H19 H 1.183264 0.399327 0.204239 0.038 Uiso 1 1 calc R . . . .
C20 C 0.9764(4) 0.4319(3) 0.3488(3) 0.0261(7) Uani 1 1 d . . . . .
H20 H 0.958759 0.347444 0.383718 0.031 Uiso 1 1 calc R . . . .


_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
Br1 Mn1 2.5198(5) . ?
Mn1 N1 1.975(2) . ?
Mn1 N3 2.042(2) . ?
Mn1 C1 1.808(3) . ?
Mn1 C2 1.813(3) . ?
Mn1 C3 1.842(3) . ?
O1 C1 1.144(3) . ?
O2 C2 1.122(4) . ?
O3 C3 1.143(3) . ?
N1 N2 1.272(3) . ?
N1 C9 1.446(3) . ?
N2 C10 1.408(3) . ?
N3 C10 1.364(3) . ?
N3 C14 1.341(3) . ?
N4 N5 1.260(3) . ?
N4 C14 1.436(3) . ?
N5 C15 1.418(3) . ?
C4 C5 1.382(4) . ?
C4 C9 1.378(4) . ?
C5 C6 1.392(4) . ?
C6 C7 1.369(4) . ?
C7 C8 1.387(4) . ?
C8 C9 1.382(4) . ?
C10 C11 1.376(4) . ?
C11 C12 1.384(4) . ?
C12 C13 1.377(4) . ?
C13 C14 1.390(4) . ?
C15 C16 1.390(4) . ?
C15 C20 1.392(4) . ?
C16 C17 1.383(4) . ?
C17 C18 1.388(4) . ?
C18 C19 1.376(5) . ?
C19 C20 1.388(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
N1 Mn1 Br1 85.13(7) . . ?
N1 Mn1 N3 76.64(9) . . ?
N3 Mn1 Br1 86.84(6) . . ?
C1 Mn1 Br1 87.81(9) . . ?
C1 Mn1 N1 94.78(11) . . ?
C1 Mn1 N3 170.24(10) . . ?
C1 Mn1 C2 91.22(13) . . ?
C1 Mn1 C3 87.82(13) . . ?
C2 Mn1 Br1 176.82(9) . . ?
C2 Mn1 N1 97.97(11) . . ?
C2 Mn1 N3 94.55(11) . . ?
C2 Mn1 C3 91.91(13) . . ?
C3 Mn1 Br1 85.03(9) . . ?
C3 Mn1 N1 169.71(11) . . ?
C3 Mn1 N3 99.83(11) . . ?
N2 N1 Mn1 120.06(17) . . ?
N2 N1 C9 113.4(2) . . ?
C9 N1 Mn1 125.77(18) . . ?
N1 N2 C10 111.7(2) . . ?
C10 N3 Mn1 111.06(17) . . ?
C14 N3 Mn1 132.64(18) . . ?
C14 N3 C10 116.2(2) . . ?
N5 N4 C14 111.7(2) . . ?
N4 N5 C15 115.0(2) . . ?
O1 C1 Mn1 179.0(3) . . ?
O2 C2 Mn1 178.2(3) . . ?
O3 C3 Mn1 174.3(3) . . ?
C9 C4 C5 119.5(3) . . ?
C4 C5 C6 119.8(3) . . ?
C7 C6 C5 120.1(3) . . ?
C6 C7 C8 120.7(3) . . ?
C9 C8 C7 118.8(3) . . ?
C4 C9 N1 119.0(2) . . ?
C4 C9 C8 121.1(3) . . ?
C8 C9 N1 119.9(3) . . ?
N3 C10 N2 116.7(2) . . ?
N3 C10 C11 124.4(2) . . ?
C11 C10 N2 118.7(2) . . ?
C10 C11 C12 117.8(3) . . ?
C13 C12 C11 119.1(3) . . ?
C12 C13 C14 119.5(3) . . ?
N3 C14 N4 113.4(2) . . ?
N3 C14 C13 122.7(2) . . ?
C13 C14 N4 123.9(2) . . ?
C16 C15 N5 124.9(2) . . ?
C16 C15 C20 120.1(3) . . ?
C20 C15 N5 115.0(3) . . ?
C17 C16 C15 119.3(3) . . ?
C16 C17 C18 120.5(3) . . ?
C19 C18 C17 120.3(3) . . ?
C18 C19 C20 119.7(3) . . ?
C19 C20 C15 120.0(3) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.183
_oxdiff_exptl_absorpt_empirical_full_min 0.835
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ard_ma_mn1_fs_autored
_database_code_depnum_ccdc_archive 'CCDC 2236211'
loop_
_audit_author_name
_audit_author_address
'Chandan Das'
;IIT Bombay
India
;
_audit_update_record             
;
2023-01-14 deposited with the CCDC.	2024-08-14 downloaded from the CCDC.
;
_audit_creation_date             2023-01-14
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.11.18 svn.ra9532c28 for OlexSys, GUI svn.r6429)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'Br C15 Mn N6 O3'
_chemical_formula_sum            'C15 Br Mn N6 O3'
_chemical_formula_weight         447.06
_chemical_absolute_configuration ?
_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'
Br Br -0.2901 2.4595 '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      orthorhombic
_space_group_IT_number           29
_space_group_name_H-M_alt        'P c a 21'
_space_group_name_Hall           'P 2c -2ac'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'x+1/2, -y, z'
'-x+1/2, y, z+1/2'

_cell_length_a                   50.2984(12)
_cell_length_b                   6.8837(2)
_cell_length_c                   9.6648(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3346.33(16)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9218
_cell_measurement_temperature    104.00(10)
_cell_measurement_theta_max      23.1110
_cell_measurement_theta_min      1.6340
_shelx_estimated_absorpt_T_max   0.719
_shelx_estimated_absorpt_T_min   0.596
_exptl_absorpt_coefficient_mu    3.205
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.57695
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.93a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic yellowish yellow'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   yellowish
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.775
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       irregular
_exptl_crystal_F_000             1728
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.11
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1410
_diffrn_reflns_av_unetI/netI     0.1385
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.956
_diffrn_reflns_limit_h_max       75
_diffrn_reflns_limit_h_min       -75
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            81284
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.918
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         33.128
_diffrn_reflns_theta_min         1.619
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      104.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.956
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  φ     22.27 222.27   0.50    5.00  16.75 -18.39 -31.50    --   400
  2  ω   -119.86  16.64   0.50    5.00    --  -18.39 -59.25-135.92  273
  3  ω    -73.83   0.17   0.50    5.00    --  -18.39  94.56  73.16  148
  4  ω   -119.86  16.64   0.50    5.00    --  -18.39 -59.25  20.08  273
  5  ω    -73.83   0.17   0.50    5.00    --  -18.39  94.56 145.16  148
  6  ω    -73.83   0.17   0.50    5.00    --  -18.39  94.56   1.16  148
  7  ω   -119.86  16.64   0.50    5.00    --  -18.39 -59.25  71.08  273
;
_diffrn_measurement_device       'abstract diffractometer'
_diffrn_measurement_device_type  
'Saxi-CrysAlisPro-abstract goniometer imported SAXI images'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0124347000
_diffrn_orient_matrix_UB_12      0.0687829000
_diffrn_orient_matrix_UB_13      -0.0045895000
_diffrn_orient_matrix_UB_21      -0.0291706000
_diffrn_orient_matrix_UB_22      -0.0205507000
_diffrn_orient_matrix_UB_23      -0.0129265000
_diffrn_orient_matrix_UB_31      -0.0981436000
_diffrn_orient_matrix_UB_32      0.0148789000
_diffrn_orient_matrix_UB_33      0.0032776000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.827
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.876
_reflns_number_gt                6886
_reflns_number_total             11714
_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 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_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    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         9.325
_refine_diff_density_min         -2.194
_refine_diff_density_rms         0.475
_refine_ls_abs_structure_details 
;
 Flack x determined using 2006 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.331(17)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.017
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     209
_refine_ls_number_reflns         11714
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.2535
_refine_ls_R_factor_gt           0.1739
_refine_ls_restrained_S_all      2.016
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3836
_refine_ls_wR_factor_ref         0.4032
_refine_special_details          ?
_olex2_refinement_description    
;
;
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     dual
_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
Br2 Br 0.26139(3) -0.0017(2) 0.6672(2) 0.0212(5) Uiso 1 1 d . . . . .
Br1 Br 0.48629(4) 0.4938(2) 0.3101(2) 0.0243(6) Uiso 1 1 d . . . . .
Mn2 Mn 0.30630(5) -0.1749(4) 0.6708(5) 0.0212(6) Uiso 1 1 d . . . . .
Mn1 Mn 0.44176(6) 0.3199(4) 0.3096(5) 0.0234(6) Uiso 1 1 d . . . . .
N11 N 0.3070(3) 0.0095(18) 0.148(2) 0.015(3) Uiso 1 1 d . . . . .
N8 N 0.3167(4) -0.020(2) 0.509(2) 0.021(4) Uiso 1 1 d . . . . .
N4 N 0.4353(3) 0.538(3) 0.698(2) 0.025(4) Uiso 1 1 d . . . . .
N9 N 0.3303(3) 0.1480(19) 0.4812(15) 0.011(3) Uiso 1 1 d . . . . .
O1 O 0.3925(3) 0.114(2) 0.2808(18) 0.037(4) Uiso 1 1 d . . . . .
N12 N 0.3373(3) 0.368(2) 0.141(2) 0.031(4) Uiso 1 1 d . . . . .
O4 O 0.3560(3) -0.3917(19) 0.7097(16) 0.030(3) Uiso 1 1 d . . . . .
N7 N 0.2924(3) -0.358(2) 0.5107(18) 0.021(4) Uiso 1 1 d . . . . .
C30 C 0.3464(4) 0.521(3) 0.086(2) 0.021(4) Uiso 1 1 d . . . . .
N1 N 0.4569(3) 0.144(2) 0.4732(19) 0.026(4) Uiso 1 1 d . . . . .
C29 C 0.3586(4) 0.678(3) 0.150(3) 0.033(5) Uiso 1 1 d . . . . .
O2 O 0.4231(3) 0.641(2) 0.1254(18) 0.043(4) Uiso 1 1 d . . . . .
C24 C 0.3076(3) -0.095(2) 0.386(2) 0.013(4) Uiso 1 1 d . . . . .
C17 C 0.3178(4) 0.015(2) 0.793(3) 0.019(4) Uiso 1 1 d . . . . .
C12 C 0.3953(4) 0.993(2) 0.630(2) 0.016(4) Uiso 1 1 d . . . . .
C19 C 0.2815(4) -0.525(3) 0.527(3) 0.025(5) Uiso 1 1 d . . . . .
C22 C 0.2853(4) -0.369(3) 0.261(2) 0.024(4) Uiso 1 1 d . . . . .
C27 C 0.3522(4) 0.494(2) 0.366(2) 0.017(4) Uiso 1 1 d . . . . .
O3 O 0.4593(3) 0.086(2) 0.070(2) 0.039(4) Uiso 1 1 d . . . . .
O6 O 0.2866(4) -0.398(3) 0.909(2) 0.051(5) Uiso 1 1 d . . . . .
C11 C 0.4079(4) 0.846(3) 0.702(2) 0.027(5) Uiso 1 1 d . . . . .
C20 C 0.2703(4) -0.636(3) 0.420(2) 0.018(4) Uiso 1 1 d . . . . .
O5 O 0.3236(3) 0.150(2) 0.8493(18) 0.043(4) Uiso 1 1 d . . . . .
C9 C 0.4410(4) 0.418(3) 0.605(3) 0.032(5) Uiso 1 1 d . . . . .
C21 C 0.2734(4) -0.555(3) 0.277(2) 0.024(4) Uiso 1 1 d . . . . .
C1 C 0.4106(4) 0.194(3) 0.298(2) 0.025(4) Uiso 1 1 d . . . . .
N10 N 0.3140(3) 0.031(2) 0.2793(19) 0.018(3) Uiso 1 1 d . . . . .
C10 C 0.4208(4) 0.679(3) 0.637(2) 0.020(4) Uiso 1 1 d . . . . .
N6 N 0.4108(3) 0.864(2) 0.8450(18) 0.023(4) Uiso 1 1 d . . . . .
C13 C 0.3862(5) 1.150(4) 0.691(3) 0.050(7) Uiso 1 1 d . . . . .
C23 C 0.2939(3) -0.273(2) 0.3836(19) 0.014(4) Uiso 1 1 d . . . . .
C26 C 0.3402(4) 0.347(3) 0.278(2) 0.021(4) Uiso 1 1 d . . . . .
N3 N 0.4175(4) 0.638(3) 0.504(2) 0.037(5) Uiso 1 1 d . . . . .
C3 C 0.4303(5) 0.502(3) 0.201(3) 0.030(6) Uiso 1 1 d . . . . .
C6 C 0.4775(5) -0.045(4) 0.696(3) 0.039(6) Uiso 1 1 d . . . . .
C8 C 0.4560(4) 0.228(3) 0.601(2) 0.021(4) Uiso 1 1 d . . . . .
C18 C 0.2935(4) -0.309(3) 0.815(3) 0.029(4) Uiso 1 1 d . . . . .
C4 C 0.4676(4) -0.022(3) 0.462(3) 0.024(5) Uiso 1 1 d . . . . .
C28 C 0.3623(3) 0.654(2) 0.289(2) 0.018(4) Uiso 1 1 d . . . . .
C2 C 0.4537(4) 0.176(3) 0.168(3) 0.029(4) Uiso 1 1 d . . . . .
C25 C 0.3291(4) 0.185(3) 0.345(2) 0.030(5) Uiso 1 1 d . . . . .
C15 C 0.4015(4) 1.010(3) 0.919(3) 0.022(5) Uiso 1 1 d . . . . .
C16 C 0.3379(4) -0.302(3) 0.691(2) 0.028(5) Uiso 1 1 d . . . . .
C5 C 0.4776(4) -0.126(3) 0.580(2) 0.030(5) Uiso 1 1 d . . . . .
C7 C 0.4654(4) 0.135(3) 0.718(2) 0.027(5) Uiso 1 1 d . . . . .
C14 C 0.3894(4) 1.165(3) 0.842(2) 0.033(5) Uiso 1 1 d . . . . .
N5 N 0.4425(4) 0.516(2) 0.850(2) 0.026(5) Uiso 1 1 d . . . . .
N2 N 0.4312(3) 0.482(2) 0.4843(19) 0.017(4) Uiso 1 1 d . . . . .

_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
Br2 Mn2 2.554(3) . ?
Br1 Mn1 2.540(3) . ?
Mn2 N8 1.968(19) . ?
Mn2 N7 2.115(17) . ?
Mn2 C17 1.85(2) . ?
Mn2 C18 1.79(2) . ?
Mn2 C16 1.83(2) . ?
Mn1 N1 2.133(18) . ?
Mn1 C1 1.794(19) . ?
Mn1 C3 1.73(2) . ?
Mn1 C2 1.79(2) . ?
Mn1 N2 2.090(18) . ?
N11 N10 1.33(3) . ?
N8 N9 1.37(2) . ?
N8 C24 1.37(3) . ?
N4 C9 1.25(3) . ?
N4 C10 1.35(3) . ?
N4 N5 1.52(3) . ?
N9 C25 1.34(3) . ?
O1 C1 1.08(2) . ?
N12 C30 1.26(2) . ?
N12 C26 1.34(3) . ?
O4 C16 1.11(2) . ?
N7 C19 1.29(2) . ?
N7 C23 1.36(2) . ?
C30 C29 1.39(3) . ?
N1 C8 1.36(3) . ?
N1 C4 1.27(2) . ?
C29 C28 1.37(3) . ?
O2 C3 1.26(3) . ?
C24 N10 1.39(2) . ?
C24 C23 1.40(2) . ?
C17 O5 1.12(2) . ?
C12 C11 1.38(3) . ?
C12 C13 1.31(3) . ?
C19 C20 1.41(3) . ?
C22 C21 1.42(3) . ?
C22 C23 1.43(3) . ?
C27 C26 1.45(3) . ?
C27 C28 1.42(2) . ?
O3 C2 1.17(3) . ?
O6 C18 1.15(3) . ?
C11 C10 1.47(3) . ?
C11 N6 1.39(3) . ?
C20 C21 1.49(3) . ?
C9 C8 1.51(3) . ?
C9 N2 1.34(3) . ?
N10 C25 1.45(3) . ?
C10 N3 1.33(3) . ?
N6 C15 1.32(3) . ?
C13 C14 1.48(4) . ?
C26 C25 1.41(3) . ?
N3 N2 1.30(2) . ?
C6 C5 1.26(3) . ?
C6 C7 1.40(3) . ?
C8 C7 1.38(3) . ?
C4 C5 1.44(3) . ?
C15 C14 1.44(3) . ?

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
N8 Mn2 Br2 88.3(5) . . ?
N8 Mn2 N7 80.1(7) . . ?
N7 Mn2 Br2 88.6(4) . . ?
C17 Mn2 Br2 87.4(6) . . ?
C17 Mn2 N8 92.4(8) . . ?
C17 Mn2 N7 171.6(8) . . ?
C18 Mn2 Br2 86.3(7) . . ?
C18 Mn2 N8 174.3(9) . . ?
C18 Mn2 N7 98.1(8) . . ?
C18 Mn2 C17 89.0(10) . . ?
C18 Mn2 C16 89.1(10) . . ?
C16 Mn2 Br2 174.7(7) . . ?
C16 Mn2 N8 96.4(9) . . ?
C16 Mn2 N7 94.6(8) . . ?
C16 Mn2 C17 90.0(9) . . ?
N1 Mn1 Br1 87.3(5) . . ?
C1 Mn1 Br1 176.5(8) . . ?
C1 Mn1 N1 94.7(8) . . ?
C1 Mn1 N2 94.8(9) . . ?
C3 Mn1 Br1 87.3(8) . . ?
C3 Mn1 N1 168.2(9) . . ?
C3 Mn1 C1 91.2(10) . . ?
C3 Mn1 C2 92.7(11) . . ?
C3 Mn1 N2 91.2(10) . . ?
C2 Mn1 Br1 88.1(7) . . ?
C2 Mn1 N1 97.6(8) . . ?
C2 Mn1 C1 88.9(9) . . ?
C2 Mn1 N2 174.5(9) . . ?
N2 Mn1 Br1 88.3(5) . . ?
N2 Mn1 N1 78.2(7) . . ?
N9 N8 Mn2 138.1(14) . . ?
N9 N8 C24 108.7(16) . . ?
C24 N8 Mn2 113.2(12) . . ?
C9 N4 C10 106.8(19) . . ?
C9 N4 N5 124.9(19) . . ?
C10 N4 N5 128.3(17) . . ?
C25 N9 N8 109.1(16) . . ?
C30 N12 C26 118(2) . . ?
C19 N7 Mn2 125.7(16) . . ?
C19 N7 C23 121.5(18) . . ?
C23 N7 Mn2 112.5(12) . . ?
N12 C30 C29 128(2) . . ?
C8 N1 Mn1 114.6(13) . . ?
C4 N1 Mn1 126.8(16) . . ?
C4 N1 C8 118.4(19) . . ?
C28 C29 C30 114(2) . . ?
N8 C24 N10 109.1(15) . . ?
N8 C24 C23 120.5(17) . . ?
N10 C24 C23 130.4(18) . . ?
O5 C17 Mn2 168(2) . . ?
C13 C12 C11 122(2) . . ?
N7 C19 C20 124(2) . . ?
C21 C22 C23 117.2(18) . . ?
C28 C27 C26 112.6(18) . . ?
C12 C11 C10 124.2(19) . . ?
C12 C11 N6 119.1(19) . . ?
N6 C11 C10 116.4(18) . . ?
C19 C20 C21 116.1(17) . . ?
N4 C9 C8 135(2) . . ?
N4 C9 N2 108.7(19) . . ?
N2 C9 C8 116(2) . . ?
C22 C21 C20 118.5(18) . . ?
O1 C1 Mn1 174(2) . . ?
N11 N10 C24 125.5(15) . . ?
N11 N10 C25 129.8(16) . . ?
C24 N10 C25 104.6(16) . . ?
N4 C10 C11 128.3(18) . . ?
N3 C10 N4 109.8(18) . . ?
N3 C10 C11 121.7(19) . . ?
C15 N6 C11 124.3(19) . . ?
C12 C13 C14 118(2) . . ?
N7 C23 C24 112.9(16) . . ?
N7 C23 C22 122.0(16) . . ?
C24 C23 C22 124.7(17) . . ?
N12 C26 C27 123.2(18) . . ?
N12 C26 C25 120.0(19) . . ?
C25 C26 C27 116.6(18) . . ?
N2 N3 C10 104.6(19) . . ?
O2 C3 Mn1 176(2) . . ?
C5 C6 C7 122(2) . . ?
N1 C8 C9 114.2(18) . . ?
N1 C8 C7 122.2(17) . . ?
C7 C8 C9 123.2(19) . . ?
O6 C18 Mn2 176.6(19) . . ?
N1 C4 C5 122(2) . . ?
C29 C28 C27 123.9(18) . . ?
O3 C2 Mn1 173.8(19) . . ?
N9 C25 N10 108.4(17) . . ?
N9 C25 C26 125.9(19) . . ?
C26 C25 N10 125.6(19) . . ?
N6 C15 C14 116(2) . . ?
O4 C16 Mn2 173.4(19) . . ?
C6 C5 C4 119(2) . . ?
C8 C7 C6 116(2) . . ?
C15 C14 C13 120(2) . . ?
C9 N2 Mn1 115.8(13) . . ?
N3 N2 Mn1 134.3(15) . . ?
N3 N2 C9 109.9(19) . . ?

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
Br2 Mn2 C17 O5 -59(10) . . . . ?
Mn2 N8 N9 C25 -176.0(16) . . . . ?
Mn2 N8 C24 N10 175.4(12) . . . . ?
Mn2 N8 C24 C23 -4(2) . . . . ?
Mn2 N7 C19 C20 174.2(15) . . . . ?
Mn2 N7 C23 C24 8.0(19) . . . . ?
Mn2 N7 C23 C22 -179.1(14) . . . . ?
Mn1 N1 C8 C9 8(2) . . . . ?
Mn1 N1 C8 C7 -178.8(15) . . . . ?
Mn1 N1 C4 C5 178.7(15) . . . . ?
N11 N10 C25 N9 177.3(17) . . . . ?
N11 N10 C25 C26 -2(3) . . . . ?
N8 Mn2 C17 O5 30(10) . . . . ?
N8 N9 C25 N10 -1(2) . . . . ?
N8 N9 C25 C26 178.3(18) . . . . ?
N8 C24 N10 N11 -175.8(17) . . . . ?
N8 C24 N10 C25 3.1(19) . . . . ?
N8 C24 C23 N7 -3(2) . . . . ?
N8 C24 C23 C22 -175.7(17) . . . . ?
N4 C9 C8 N1 179(2) . . . . ?
N4 C9 C8 C7 6(4) . . . . ?
N4 C9 N2 Mn1 173.7(14) . . . . ?
N4 C9 N2 N3 -5(3) . . . . ?
N4 C10 N3 N2 -4(2) . . . . ?
N9 N8 C24 N10 -3.6(19) . . . . ?
N9 N8 C24 C23 177.1(15) . . . . ?
N12 C30 C29 C28 4(3) . . . . ?
N12 C26 C25 N9 -179(2) . . . . ?
N12 C26 C25 N10 0(3) . . . . ?
N7 C19 C20 C21 4(3) . . . . ?
C30 N12 C26 C27 3(3) . . . . ?
C30 N12 C26 C25 176.5(19) . . . . ?
C30 C29 C28 C27 -7(3) . . . . ?
N1 C8 C7 C6 4(3) . . . . ?
N1 C4 C5 C6 -5(3) . . . . ?
C24 N8 N9 C25 3(2) . . . . ?
C24 N10 C25 N9 -2(2) . . . . ?
C24 N10 C25 C26 179.5(18) . . . . ?
C12 C11 C10 N4 174.2(19) . . . . ?
C12 C11 C10 N3 -12(3) . . . . ?
C12 C11 N6 C15 2(3) . . . . ?
C12 C13 C14 C15 -2(4) . . . . ?
C19 N7 C23 C24 -177.1(17) . . . . ?
C19 N7 C23 C22 -4(3) . . . . ?
C19 C20 C21 C22 -5(3) . . . . ?
C27 C26 C25 N9 -5(3) . . . . ?
C27 C26 C25 N10 173.9(18) . . . . ?
C11 C12 C13 C14 -1(3) . . . . ?
C11 C10 N3 N2 -178.9(16) . . . . ?
C11 N6 C15 C14 -5(3) . . . . ?
C9 N4 C10 C11 176(2) . . . . ?
C9 N4 C10 N3 1(2) . . . . ?
C9 C8 C7 C6 176.5(19) . . . . ?
C21 C22 C23 N7 4(3) . . . . ?
C21 C22 C23 C24 175.5(17) . . . . ?
N10 C24 C23 N7 177.8(17) . . . . ?
N10 C24 C23 C22 5(3) . . . . ?
C10 N4 C9 C8 -179(2) . . . . ?
C10 N4 C9 N2 2(2) . . . . ?
C10 C11 N6 C15 176.8(17) . . . . ?
C10 N3 N2 Mn1 -172.9(14) . . . . ?
C10 N3 N2 C9 5(2) . . . . ?
N6 C11 C10 N4 0(3) . . . . ?
N6 C11 C10 N3 174.1(19) . . . . ?
N6 C15 C14 C13 4(3) . . . . ?
C13 C12 C11 C10 -173(2) . . . . ?
C13 C12 C11 N6 1(3) . . . . ?
C23 N7 C19 C20 0(3) . . . . ?
C23 C24 N10 N11 3(3) . . . . ?
C23 C24 N10 C25 -177.7(18) . . . . ?
C23 C22 C21 C20 1(3) . . . . ?
C26 N12 C30 C29 -3(3) . . . . ?
C26 C27 C28 C29 7(3) . . . . ?
C8 N1 C4 C5 3(3) . . . . ?
C8 C9 N2 Mn1 -6(2) . . . . ?
C8 C9 N2 N3 175.9(17) . . . . ?
C18 Mn2 C17 O5 -145(10) . . . . ?
C4 N1 C8 C9 -175.8(18) . . . . ?
C4 N1 C8 C7 -3(3) . . . . ?
C28 C27 C26 N12 -5(3) . . . . ?
C28 C27 C26 C25 -178.7(17) . . . . ?
C16 Mn2 C17 O5 126(10) . . . . ?
C5 C6 C7 C8 -6(4) . . . . ?
C7 C6 C5 C4 7(4) . . . . ?
N5 N4 C9 C8 -2(4) . . . . ?
N5 N4 C9 N2 178.9(18) . . . . ?
N5 N4 C10 C11 -1(3) . . . . ?
N5 N4 C10 N3 -175.6(18) . . . . ?
N2 C9 C8 N1 -2(3) . . . . ?
N2 C9 C8 C7 -174.7(19) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.557
_oxdiff_exptl_absorpt_empirical_full_min 0.557
