# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2022

####################################################################### 
# 
# 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. 
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data_zhl
_database_code_depnum_ccdc_archive 'CCDC 2130620'
loop_
_audit_author_name
_audit_author_address
'hailang zhu'
;Dalian University of Technology
China
;
_audit_update_record             
;
2021-12-24 deposited with the CCDC.	2022-07-26 downloaded from the CCDC.
;
_audit_creation_date             2021-12-23
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.5(C64 H64 Mn4 N24 O8 S8 W2), 2(C O), 2(O)'
_chemical_formula_sum            'C34 H32 Mn2 N12 O8 S4 W'
_chemical_formula_weight         1158.68
_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'
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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.8490 6.8722 '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           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   22.1413(7)
_cell_length_b                   19.9940(8)
_cell_length_c                   10.4520(3)
_cell_angle_alpha                90
_cell_angle_beta                 109.9110(10)
_cell_angle_gamma                90
_cell_volume                     4350.4(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    6754
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.36
_cell_measurement_theta_min      2.83
_shelx_estimated_absorpt_T_max   0.723
_shelx_estimated_absorpt_T_min   0.544
_exptl_absorpt_coefficient_mu    3.464
_exptl_absorpt_correction_T_max  0.2616
_exptl_absorpt_correction_T_min  0.2102
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1070 before and 0.0527 after correction. The Ratio of minimum to maximum transmission is 0.8035. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.769
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             2288
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0504
_diffrn_reflns_av_unetI/netI     0.0577
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            16555
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.548
_diffrn_reflns_theta_min         2.770
_diffrn_ambient_temperature      120.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_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                4278
_reflns_number_total             4984
_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       'SAINT V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_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         1.354
_refine_diff_density_min         -1.495
_refine_diff_density_rms         0.159
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     359
_refine_ls_number_reflns         4984
_refine_ls_number_restraints     59
_refine_ls_R_factor_all          0.0511
_refine_ls_R_factor_gt           0.0382
_refine_ls_restrained_S_all      1.028
_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)+(0.0298P)²+31.4959P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0778
_refine_ls_wR_factor_ref         0.0841
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Restrained distances
 O2-C15
 1.4 with sigma of 0.02
 O2-C15 = O2A-C15A
 1.4 with sigma of 0.02
 O2A-H2A
 0.87 with sigma of 0.01
 O2-H2B
 0.87 with sigma of 0.01
 O1A-H1A
 0.87 with sigma of 0.01
 O1-H1B
 0.87 with sigma of 0.01
 C15-Mn2
 3.5 with sigma of 0.04
 C15A-Mn2
 3.5 with sigma of 0.04
 C15A-H2A
 1.90598 with sigma of 0.02
 Mn2-H2A
 3.005872 with sigma of 0.02
 C15-H2B
 1.890381 with sigma of 0.02
 Mn2-H2B
 2.63292 with sigma of 0.02
 C16A-H1A
 1.884553 with sigma of 0.02
 Mn2-H1A
 2.668716 with sigma of 0.02
 C16-H1B
 1.889755 with sigma of 0.02
 Mn2-H1B
 2.816214 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C13A) \\sim Ueq, Uanis(C13) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C15) \\sim Ueq, Uanis(C15A) \\sim Ueq: with sigma of 0.1 and sigma for
terminal atoms of 0.2
Uanis(O2A) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C16A) \\sim Ueq, Uanis(C16) \\sim Ueq, Uanis(C15A) \\sim Ueq, Uanis(C15)
\\sim Ueq: with sigma of 0.1 and sigma for terminal atoms of 0.2
Uanis(C15) = Uanis(C15A) = Uanis(C16) = Uanis(C16A)
4. Others
 Sof(N5A)=Sof(C13A)=Sof(N6A)=Sof(C12A)=Sof(N4A)=Sof(O1A)=Sof(H1A)=Sof(C16A)=
 Sof(H16A)=Sof(H16B)=Sof(H16C)=Sof(O2A)=Sof(H2A)=1-FVAR(1)
 Sof(N6)=Sof(N4)=Sof(C12)=Sof(C13)=Sof(N5)=Sof(O1)=Sof(H1B)=Sof(C16)=Sof(H16D)=
 Sof(H16E)=Sof(H16F)=Sof(O2)=Sof(H2B)=FVAR(1)
 Sof(C15A)=Sof(H15D)=Sof(H15E)=Sof(H15F)=1-FVAR(2)
 Sof(C15)=Sof(H15A)=Sof(H15B)=Sof(H15C)=FVAR(2)
5.a Aromatic/amide H refined with riding coordinates:
 C10(H10), C5(H5), C2(H2), C4(H4), C9(H9), C7(H7), C8(H8), C1(H1)
5.b Idealised Me refined as rotating group:
 C16A(H16A,H16B,H16C), C16(H16D,H16E,H16F), C15(H15A,H15B,H15C), C15A(H15D,
 H15E,H15F)
;
_atom_sites_solution_hydrogens   mixed
_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
W1 W 0.500000 0.31503(2) 0.250000 0.01006(8) Uani 1 2 d S T P A .
Mn1 Mn 0.250000 0.250000 0.000000 0.0122(2) Uani 1 2 d S T P . .
Mn2 Mn 0.500000 0.35877(6) 0.750000 0.0425(4) Uani 1 2 d DS T P . .
S2 S 0.25004(6) 0.50211(6) 0.55218(11) 0.0179(2) Uani 1 1 d . . . . .
S1 S 0.16986(6) 0.48924(6) 0.38675(11) 0.0188(3) Uani 1 1 d . . . . .
N3 N 0.24857(18) 0.3354(2) 0.8492(4) 0.0159(8) Uani 1 1 d . . . . .
N1 N 0.34992(19) 0.2680(2) 0.1101(4) 0.0177(8) Uani 1 1 d . . . . .
N2 N 0.22062(19) 0.3263(2) 0.1344(4) 0.0172(8) Uani 1 1 d . . . . .
C10 C 0.2975(2) 0.4299(2) 0.7832(4) 0.0171(10) Uani 1 1 d . . . . .
H10 H 0.332589 0.460207 0.804391 0.021 Uiso 1 1 calc R . . . .
C14 C 0.5204(3) 0.3451(3) 0.4586(5) 0.0349(15) Uani 1 1 d . . . . .
C5 C 0.2641(2) 0.3475(2) 0.2512(5) 0.0198(10) Uani 1 1 d . . . . .
H5 H 0.305790 0.328275 0.278313 0.024 Uiso 1 1 calc R . . . .
C2 C 0.1453(2) 0.4023(3) 0.1755(5) 0.0196(10) Uani 1 1 d . . . . .
H2 H 0.103205 0.420667 0.146229 0.023 Uiso 1 1 calc R . . . .
C3 C 0.1914(2) 0.4240(2) 0.2952(4) 0.0160(9) Uani 1 1 d . . . . .
C4 C 0.2522(2) 0.3954(3) 0.3347(5) 0.0203(10) Uani 1 1 d . . . . .
H4 H 0.284648 0.408515 0.416873 0.024 Uiso 1 1 calc R . . . .
C11 C 0.4026(2) 0.2832(2) 0.1608(4) 0.0149(9) Uani 1 1 d . . . . .
C9 C 0.2967(2) 0.3793(2) 0.8733(5) 0.0176(10) Uani 1 1 d . . . . .
H9 H 0.332074 0.375537 0.955910 0.021 Uiso 1 1 calc R . . . .
N5A N 0.5231(7) 0.3453(6) 0.5754(14) 0.017(3) Uani 0.463(11) 1 d . . . A 2
C7 C 0.1960(2) 0.3903(2) 0.6348(5) 0.0185(10) Uani 1 1 d . . . . .
H7 H 0.160350 0.392656 0.552604 0.022 Uiso 1 1 calc R . . . .
C8 C 0.1995(2) 0.3416(3) 0.7309(5) 0.0208(10) Uani 1 1 d . . . . .
H8 H 0.165027 0.310632 0.712329 0.025 Uiso 1 1 calc R . . . .
C1 C 0.1617(2) 0.3537(3) 0.1000(5) 0.0204(10) Uani 1 1 d . . . . .
H1 H 0.129669 0.338688 0.018975 0.025 Uiso 1 1 calc R . . . .
C6 C 0.2466(2) 0.4359(2) 0.6622(4) 0.0170(10) Uani 1 1 d . . . . .
C13A C 0.5615(10) 0.4032(10) 0.2774(15) 0.015(4) Uani 0.463(11) 1 d . U . A 1
C17 C 0.5528(4) 0.1560(4) -0.1239(8) 0.0519(19) Uani 1 1 d . . . B -1
O3 O 0.5324(4) 0.0999(5) -0.1440(8) 0.116(3) Uani 1 1 d . . . B -1
N6 N 0.5913(4) 0.4404(4) 0.2133(12) 0.025(2) Uani 0.537(11) 1 d . . . A 2
N6A N 0.5916(5) 0.4498(5) 0.2914(12) 0.019(2) Uani 0.463(11) 1 d . . . A 1
O4 O 0.4973(3) -0.0366(3) -0.1806(5) 0.0825(19) Uani 1 1 d . . . C -1
N4 N 0.5250(5) 0.1988(5) 0.0472(9) 0.033(3) Uani 0.537(11) 1 d . . . A 1
C12A C 0.5061(7) 0.2209(7) 0.1541(14) 0.012(3) Uani 0.463(11) 1 d . . . A 2
C12 C 0.5147(7) 0.2384(7) 0.1174(13) 0.017(3) Uani 0.537(11) 1 d . . . A 1
N4A N 0.5093(5) 0.1693(5) 0.1040(10) 0.020(3) Uani 0.463(11) 1 d . . . A 2
C13 C 0.5609(9) 0.3966(9) 0.2338(15) 0.018(3) Uani 0.537(11) 1 d . U . A 2
N5 N 0.5352(6) 0.3703(6) 0.5651(12) 0.021(2) Uani 0.537(11) 1 d . . . A 1
O1A O 0.4397(6) 0.2855(6) 0.6373(11) 0.030(3) Uani 0.463(11) 1 d D . . A 2
H1A H 0.450(3) 0.255(3) 0.588(9) 0.045 Uiso 0.463(11) 1 d DR . . A 2
O1 O 0.4217(5) 0.2775(5) 0.6755(11) 0.030(2) Uani 0.537(11) 1 d D . . A 1
H1B H 0.4347(12) 0.2365(10) 0.675(11) 0.045 Uiso 0.537(11) 1 d DR . . A 1
C16A C 0.3830(12) 0.2623(13) 0.659(3) 0.070(3) Uani 0.463(11) 1 d D U . A 2
H16A H 0.345863 0.268478 0.576002 0.104 Uiso 0.463(11) 1 calc GR . . A 2
H16B H 0.376445 0.287856 0.733562 0.104 Uiso 0.463(11) 1 calc GR . . A 2
H16C H 0.387646 0.214767 0.683353 0.104 Uiso 0.463(11) 1 calc GR . . A 2
C16 C 0.3544(8) 0.2770(11) 0.648(2) 0.070(3) Uani 0.537(11) 1 d D U . A 1
H16D H 0.334581 0.242044 0.581063 0.104 Uiso 0.537(11) 1 calc GR . . A 1
H16E H 0.336306 0.320576 0.611698 0.104 Uiso 0.537(11) 1 calc GR . . A 1
H16F H 0.345712 0.267925 0.732275 0.104 Uiso 0.537(11) 1 calc GR . . A 1
O2A O 0.4151(4) 0.4242(4) 0.6064(11) 0.018(2) Uani 0.463(11) 1 d D U . A 2
H2A H 0.383(3) 0.411(2) 0.535(6) 0.027 Uiso 0.463(11) 1 d DR . . A 2
C15 C 0.4191(5) 0.4624(6) 0.5443(10) 0.070(3) Uani 0.799(12) 1 d D U . A 1
H15A H 0.417132 0.425317 0.481578 0.104 Uiso 0.799(12) 1 calc GR . . A 1
H15B H 0.448820 0.496582 0.534024 0.104 Uiso 0.799(12) 1 calc GR . . A 1
H15C H 0.376233 0.481878 0.523493 0.104 Uiso 0.799(12) 1 calc GR . . A 1
O2 O 0.4410(5) 0.4383(4) 0.6795(10) 0.031(2) Uani 0.537(11) 1 d D . . A 1
H2B H 0.437(4) 0.470(2) 0.733(2) 0.047 Uiso 0.537(11) 1 d DR . . A 1
C15A C 0.3975(18) 0.4890(12) 0.643(4) 0.070(3) Uani 0.201(12) 1 d D U . A 2
H15D H 0.374202 0.483555 0.706709 0.104 Uiso 0.201(12) 1 calc GR . . A 2
H15E H 0.370076 0.511935 0.560804 0.104 Uiso 0.201(12) 1 calc GR . . A 2
H15F H 0.436441 0.515470 0.685662 0.104 Uiso 0.201(12) 1 calc GR . . A 2


_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
W1 C14 2.155(5) 2_655 ?
W1 C14 2.155(5) . ?
W1 C11 2.134(5) 2_655 ?
W1 C11 2.134(5) . ?
W1 C13A 2.19(2) . ?
W1 C13A 2.19(2) 2_655 ?
W1 C12A 2.158(15) 2_655 ?
W1 C12A 2.158(15) . ?
W1 C12 2.163(12) 2_655 ?
W1 C12 2.163(12) . ?
W1 C13 2.159(19) 2_655 ?
W1 C13 2.159(19) . ?
Mn1 N3 2.317(4) 1_554 ?
Mn1 N3 2.317(4) 7_556 ?
Mn1 N1 2.148(4) . ?
Mn1 N1 2.148(4) 7 ?
Mn1 N2 2.311(4) . ?
Mn1 N2 2.311(4) 7 ?
Mn2 N5A 2.073(14) 2_656 ?
Mn2 N5A 2.073(14) . ?
Mn2 N5 2.328(11) 2_656 ?
Mn2 N5 2.328(11) . ?
Mn2 O1A 2.061(11) 2_656 ?
Mn2 O1A 2.061(11) . ?
Mn2 O1 2.308(11) . ?
Mn2 O1 2.308(11) 2_656 ?
Mn2 O2A 2.362(9) 2_656 ?
Mn2 O2A 2.362(9) . ?
Mn2 O2 2.030(8) . ?
Mn2 O2 2.030(8) 2_656 ?
S2 S1 2.0291(17) . ?
S2 C6 1.772(5) . ?
S1 C3 1.777(5) . ?
N3 C9 1.336(6) . ?
N3 C8 1.345(6) . ?
N1 C11 1.146(6) . ?
N2 C5 1.340(6) . ?
N2 C1 1.346(6) . ?
C10 H10 0.9500 . ?
C10 C9 1.387(6) . ?
C10 C6 1.383(6) . ?
C14 N5A 1.202(14) . ?
C14 N5 1.163(13) . ?
C5 H5 0.9500 . ?
C5 C4 1.381(6) . ?
C2 H2 0.9500 . ?
C2 C3 1.387(6) . ?
C2 C1 1.377(7) . ?
C3 C4 1.388(6) . ?
C4 H4 0.9500 . ?
C9 H9 0.9500 . ?
C7 H7 0.9500 . ?
C7 C8 1.382(7) . ?
C7 C6 1.395(6) . ?
C8 H8 0.9500 . ?
C1 H1 0.9500 . ?
C13A N6A 1.13(2) . ?
C17 O3 1.201(10) . ?
N6 C13 1.17(2) . ?
N4 C12 1.155(15) . ?
C12A N4A 1.170(17) . ?
O1A H1A 0.873(10) . ?
O1A C16A 1.43(2) . ?
O1 H1B 0.871(10) . ?
O1 C16 1.420(17) . ?
C16A H16A 0.9800 . ?
C16A H16B 0.9800 . ?
C16A H16C 0.9800 . ?
C16 H16D 0.9800 . ?
C16 H16E 0.9800 . ?
C16 H16F 0.9800 . ?
O2A H2A 0.878(10) . ?
O2A C15A 1.440(17) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C15 O2 1.413(10) . ?
O2 H2B 0.877(10) . ?
C15A H15D 0.9800 . ?
C15A H15E 0.9800 . ?
C15A H15F 0.9800 . ?

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
C14 W1 C14 147.7(4) 2_655 . ?
C14 W1 C13A 79.3(4) 2_655 . ?
C14 W1 C13A 74.7(4) . . ?
C14 W1 C13A 74.7(4) 2_655 2_655 ?
C14 W1 C13A 79.3(4) . 2_655 ?
C14 W1 C12A 78.3(4) 2_655 . ?
C14 W1 C12A 133.5(4) 2_655 2_655 ?
C14 W1 C12A 133.5(4) . . ?
C14 W1 C12A 78.3(4) . 2_655 ?
C14 W1 C12 145.1(4) . . ?
C14 W1 C12 64.8(4) 2_655 . ?
C14 W1 C12 64.8(4) . 2_655 ?
C14 W1 C12 145.1(4) 2_655 2_655 ?
C14 W1 C13 87.0(4) 2_655 2_655 ?
C14 W1 C13 68.4(4) 2_655 . ?
C14 W1 C13 87.0(4) . . ?
C14 W1 C13 68.4(4) . 2_655 ?
C11 W1 C14 110.95(19) . . ?
C11 W1 C14 78.96(18) 2_655 . ?
C11 W1 C14 78.96(18) . 2_655 ?
C11 W1 C14 110.95(19) 2_655 2_655 ?
C11 W1 C11 145.3(3) 2_655 . ?
C11 W1 C13A 72.1(6) 2_655 . ?
C11 W1 C13A 142.1(5) . . ?
C11 W1 C13A 72.1(6) . 2_655 ?
C11 W1 C13A 142.1(6) 2_655 2_655 ?
C11 W1 C12A 74.3(4) . 2_655 ?
C11 W1 C12A 75.6(4) . . ?
C11 W1 C12A 74.3(4) 2_655 . ?
C11 W1 C12A 75.6(4) 2_655 2_655 ?
C11 W1 C12 73.7(4) 2_655 . ?
C11 W1 C12 81.9(4) 2_655 2_655 ?
C11 W1 C12 81.9(4) . . ?
C11 W1 C12 73.7(4) . 2_655 ?
C11 W1 C13 72.2(5) . 2_655 ?
C11 W1 C13 72.2(5) 2_655 . ?
C11 W1 C13 139.1(4) . . ?
C11 W1 C13 139.1(4) 2_655 2_655 ?
C13A W1 C13A 72.5(11) . 2_655 ?
C12A W1 C13 146.6(6) 2_655 . ?
C12A W1 C13 118.8(6) . . ?
C12 W1 C13A 115.6(6) 2_655 2_655 ?
C12 W1 C13A 135.2(5) . 2_655 ?
C12 W1 C13A 135.2(5) 2_655 . ?
C12 W1 C13A 115.6(6) . . ?
C12 W1 C12 89.9(7) . 2_655 ?
N3 Mn1 N3 180.00(13) 1_554 7_556 ?
N1 Mn1 N3 90.80(14) 7 7_556 ?
N1 Mn1 N3 89.20(14) . 7_556 ?
N1 Mn1 N3 89.20(14) 7 1_554 ?
N1 Mn1 N3 90.80(14) . 1_554 ?
N1 Mn1 N1 180.0 . 7 ?
N1 Mn1 N2 90.91(14) 7 7 ?
N1 Mn1 N2 89.09(14) 7 . ?
N1 Mn1 N2 89.09(14) . 7 ?
N1 Mn1 N2 90.91(14) . . ?
N2 Mn1 N3 90.82(13) . 7_556 ?
N2 Mn1 N3 89.18(13) . 1_554 ?
N2 Mn1 N3 90.82(13) 7 1_554 ?
N2 Mn1 N3 89.18(13) 7 7_556 ?
N2 Mn1 N2 180.00(13) 7 . ?
N5A Mn2 N5A 165.1(7) 2_656 . ?
N5A Mn2 O2A 83.9(4) . . ?
N5A Mn2 O2A 104.5(5) 2_656 . ?
N5 Mn2 N5 168.7(6) 2_656 . ?
N5 Mn2 O2A 93.1(4) . 2_656 ?
N5 Mn2 O2A 80.6(4) 2_656 2_656 ?
O1A Mn2 N5A 73.2(6) . . ?
O1A Mn2 N5A 96.0(5) 2_656 . ?
O1A Mn2 O2A 167.9(4) 2_656 . ?
O1A Mn2 O2A 79.0(4) . . ?
O1 Mn2 N5 102.4(5) 2_656 2_656 ?
O1 Mn2 N5 102.4(5) . . ?
O1 Mn2 N5 85.7(4) . 2_656 ?
O1 Mn2 N5 85.7(4) 2_656 . ?
O1 Mn2 O1 90.6(5) 2_656 . ?
O1 Mn2 O2A 161.4(3) . 2_656 ?
O1 Mn2 O2A 80.3(3) 2_656 2_656 ?
O2 Mn2 N5A 95.9(4) 2_656 2_656 ?
O2 Mn2 N5A 95.7(5) . 2_656 ?
O2 Mn2 N5 88.7(4) 2_656 2_656 ?
O2 Mn2 N5 82.4(4) 2_656 . ?
O2 Mn2 N5 88.7(4) . . ?
O2 Mn2 N5 82.4(4) . 2_656 ?
O2 Mn2 O1A 167.4(4) . 2_656 ?
O2 Mn2 O1A 97.9(5) 2_656 2_656 ?
O2 Mn2 O1 96.4(4) 2_656 2_656 ?
O2 Mn2 O1 171.8(4) 2_656 . ?
O2 Mn2 O1 171.8(4) . 2_656 ?
O2 Mn2 O1 96.4(4) . . ?
O2 Mn2 O2A 20.1(3) 2_656 2_656 ?
O2 Mn2 O2A 94.1(5) . 2_656 ?
O2 Mn2 O2 76.9(6) 2_656 . ?
C6 S2 S1 103.86(17) . . ?
C3 S1 S2 103.56(17) . . ?
C9 N3 Mn1 122.0(3) . 1_556 ?
C9 N3 C8 117.2(4) . . ?
C8 N3 Mn1 120.8(3) . 1_556 ?
C11 N1 Mn1 173.1(4) . . ?
C5 N2 Mn1 119.9(3) . . ?
C5 N2 C1 116.3(4) . . ?
C1 N2 Mn1 123.7(3) . . ?
C9 C10 H10 120.3 . . ?
C6 C10 H10 120.3 . . ?
C6 C10 C9 119.3(4) . . ?
N5A C14 W1 161.7(8) . . ?
N5 C14 W1 169.3(8) . . ?
N2 C5 H5 117.9 . . ?
N2 C5 C4 124.3(5) . . ?
C4 C5 H5 117.9 . . ?
C3 C2 H2 120.7 . . ?
C1 C2 H2 120.7 . . ?
C1 C2 C3 118.7(4) . . ?
C2 C3 S1 117.7(4) . . ?
C2 C3 C4 118.8(4) . . ?
C4 C3 S1 123.5(4) . . ?
C5 C4 C3 118.1(4) . . ?
C5 C4 H4 120.9 . . ?
C3 C4 H4 120.9 . . ?
N1 C11 W1 177.7(4) . . ?
N3 C9 C10 122.9(4) . . ?
N3 C9 H9 118.5 . . ?
C10 C9 H9 118.5 . . ?
C14 N5A Mn2 162.3(10) . . ?
C8 C7 H7 121.0 . . ?
C8 C7 C6 118.0(4) . . ?
C6 C7 H7 121.0 . . ?
N3 C8 C7 124.0(5) . . ?
N3 C8 H8 118.0 . . ?
C7 C8 H8 118.0 . . ?
N2 C1 C2 123.8(4) . . ?
N2 C1 H1 118.1 . . ?
C2 C1 H1 118.1 . . ?
C10 C6 S2 117.1(4) . . ?
C10 C6 C7 118.6(4) . . ?
C7 C6 S2 124.3(4) . . ?
N6A C13A W1 178.0(17) . . ?
N4A C12A W1 178.8(11) . . ?
N4 C12 W1 177.1(12) . . ?
N6 C13 W1 174.3(12) . . ?
C14 N5 Mn2 133.4(9) . . ?
Mn2 O1A H1A 125(2) . . ?
C16A O1A Mn2 124.9(11) . . ?
C16A O1A H1A 107(2) . . ?
Mn2 O1 H1B 117.1(17) . . ?
C16 O1 Mn2 133.6(9) . . ?
C16 O1 H1B 108.5(19) . . ?
O1A C16A H16A 109.5 . . ?
O1A C16A H16B 109.5 . . ?
O1A C16A H16C 109.5 . . ?
H16A C16A H16B 109.5 . . ?
H16A C16A H16C 109.5 . . ?
H16B C16A H16C 109.5 . . ?
O1 C16 H16D 109.5 . . ?
O1 C16 H16E 109.5 . . ?
O1 C16 H16F 109.5 . . ?
H16D C16 H16E 109.5 . . ?
H16D C16 H16F 109.5 . . ?
H16E C16 H16F 109.5 . . ?
Mn2 O2A H2A 127.4(19) . . ?
C15A O2A Mn2 123.9(15) . . ?
C15A O2A H2A 106.8(19) . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
O2 C15 H15A 109.5 . . ?
O2 C15 H15B 109.5 . . ?
O2 C15 H15C 109.5 . . ?
Mn2 O2 H2B 122.3(19) . . ?
C15 O2 Mn2 126.1(7) . . ?
C15 O2 H2B 108.4(18) . . ?
O2A C15A H15D 109.5 . . ?
O2A C15A H15E 109.5 . . ?
O2A C15A H15F 109.5 . . ?
H15D C15A H15E 109.5 . . ?
H15D C15A H15F 109.5 . . ?
H15E C15A H15F 109.5 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
