# Supplementary Information (SI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 2026

####################################################################### 
# 
# 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_mo_ch_zxh_j_a
_database_code_depnum_ccdc_archive 'CCDC 2472808'
loop_
_audit_author_name
_audit_author_address
'Xiaohui Zhu'
;Sichuan University
China
;
_audit_update_record             
;
2025-07-15 deposited with the CCDC.	2026-06-05 downloaded from the CCDC.
;
_audit_creation_date             2025-07-15
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C28 H26 Mn N3 O3 P, F6 P'
_chemical_formula_sum            'C28 H26 F6 Mn N3 O3 P2'
_chemical_formula_weight         683.40
_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'
F F 0.0171 0.0103 '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'
P P 0.1023 0.0942 '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/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   14.9741(18)
_cell_length_b                   8.5680(8)
_cell_length_c                   22.795(3)
_cell_angle_alpha                90
_cell_angle_beta                 93.450(4)
_cell_angle_gamma                90
_cell_volume                     2919.2(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    4898
_cell_measurement_temperature    256(2)
_cell_measurement_theta_max      23.901
_cell_measurement_theta_min      2.314
_shelx_estimated_absorpt_T_max   0.916
_shelx_estimated_absorpt_T_min   0.827
_exptl_absorpt_coefficient_mu    0.636
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5349
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1472 before and 0.0897 after correction.
The Ratio of minimum to maximum transmission is 0.7174.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear yellowish yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   yellowish
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.555
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1392
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.14
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1068
_diffrn_reflns_av_unetI/netI     0.0876
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            20735
_diffrn_reflns_point_group_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        24.998
_diffrn_reflns_theta_max         24.998
_diffrn_reflns_theta_min         3.170
_diffrn_ambient_temperature      256.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Bruker APEX-IICCD'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.2
_diffrn_source_power             0.06
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3656
_reflns_number_total             5062
_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 V8.41 (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.41 (?, 2016)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.135
_refine_diff_density_min         -0.409
_refine_diff_density_rms         0.078
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     389
_refine_ls_number_reflns         5062
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0875
_refine_ls_R_factor_gt           0.0617
_refine_ls_restrained_S_all      1.046
_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)+(0.0734P)²+2.3142P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1468
_refine_ls_wR_factor_ref         0.1687
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 N2(H2)
2.b Secondary CH2 refined with riding coordinates:
 C9(H9A,H9B), C10(H10A,H10B), C11(H11A,H11B)
2.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C5(H5), C6(H6), C13(H13), C14(H14), C15(H15), C16(H16), C19(H19),
 C20(H20), C21(H21), C22(H22), C24(H24), C25(H25), C26(H26), C27(H27), C28(H28)
2.d Idealised Me refined as rotating group:
 C8(H8A,H8B,H8C)
;
_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
P1 P 0.69693(6) 0.43111(11) 0.64180(5) 0.0298(3) Uani 1 1 d . . . . .
Mn2 Mn 0.81504(4) 0.53390(7) 0.59188(3) 0.0334(2) Uani 1 1 d . . . . .
O1 O 0.8949(3) 0.6599(5) 0.70242(18) 0.0783(12) Uani 1 1 d . . . . .
O2 O 0.9775(2) 0.6547(5) 0.5386(2) 0.0764(12) Uani 1 1 d . . . . .
O3 O 0.7311(2) 0.8480(4) 0.58664(16) 0.0619(10) Uani 1 1 d . . . . .
N1 N 0.8547(2) 0.1975(4) 0.55257(19) 0.0474(10) Uani 1 1 d . . . . .
N2 N 0.7465(2) 0.4794(4) 0.50975(15) 0.0381(8) Uani 1 1 d . . . . .
H2 H 0.7601 0.5710 0.4861 0.046 Uiso 1 1 calc R U . . .
C3 C 0.7632(3) 0.1551(5) 0.6928(2) 0.0419(10) Uani 1 1 d . . . . .
H3 H 0.7575 0.1144 0.6550 0.050 Uiso 1 1 calc R U . . .
P4 P 0.76802(9) 0.79141(15) 0.39189(6) 0.0531(4) Uani 1 1 d . . . . .
C1 C 0.8653(3) 0.6031(6) 0.6601(2) 0.0469(11) Uani 1 1 d . . . . .
C2 C 0.9141(3) 0.6050(5) 0.5563(2) 0.0482(11) Uani 1 1 d . . . . .
C35 C 0.7621(3) 0.7263(5) 0.5871(2) 0.0410(10) Uani 1 1 d . . . . .
C4 C 0.8723(3) 0.3131(5) 0.5923(2) 0.0416(11) Uani 1 1 d . . . . .
C5 C 0.9087(4) 0.0700(6) 0.5640(3) 0.0709(18) Uani 1 1 d . . . . .
H5 H 0.9083 -0.0229 0.5429 0.085 Uiso 1 1 calc R U . . .
C6 C 0.9610(4) 0.1050(7) 0.6105(3) 0.0774(19) Uani 1 1 d . . . . .
H6 H 1.0047 0.0408 0.6283 0.093 Uiso 1 1 calc R U . . .
N7 N 0.9397(2) 0.2535(5) 0.6283(2) 0.0577(11) Uani 1 1 d . . . . .
C8 C 0.9842(4) 0.3282(8) 0.6796(3) 0.085(2) Uani 1 1 d . . . . .
H8A H 1.0117 0.4235 0.6679 0.128 Uiso 1 1 calc R U . . .
H8B H 1.0292 0.2595 0.6967 0.128 Uiso 1 1 calc R U . . .
H8C H 0.9410 0.3507 0.7079 0.128 Uiso 1 1 calc R U . . .
C9 C 0.7859(3) 0.1976(5) 0.5042(2) 0.0539(13) Uani 1 1 d . . . . .
H9A H 0.7284 0.1736 0.5195 0.065 Uiso 1 1 calc R U . . .
H9B H 0.7993 0.1167 0.4763 0.065 Uiso 1 1 calc R U . . .
C10 C 0.7803(3) 0.3503(6) 0.4736(2) 0.0511(12) Uani 1 1 d . . . . .
H10A H 0.7412 0.3396 0.4383 0.061 Uiso 1 1 calc R U . . .
H10B H 0.8393 0.3779 0.4615 0.061 Uiso 1 1 calc R U . . .
C11 C 0.6469(3) 0.4846(5) 0.5078(2) 0.0432(10) Uani 1 1 d . . . . .
H11A H 0.6247 0.4874 0.4670 0.052 Uiso 1 1 calc R U . . .
H11B H 0.6291 0.5814 0.5259 0.052 Uiso 1 1 calc R U . . .
C12 C 0.6017(3) 0.3514(5) 0.53763(19) 0.0377(10) Uani 1 1 d . . . . .
C13 C 0.5334(3) 0.2716(6) 0.5055(2) 0.0495(12) Uani 1 1 d . . . . .
H13 H 0.5218 0.2944 0.4659 0.059 Uiso 1 1 calc R U . . .
C14 C 0.4833(3) 0.1597(6) 0.5318(3) 0.0580(14) Uani 1 1 d . . . . .
H14 H 0.4356 0.1126 0.5106 0.070 Uiso 1 1 calc R U . . .
C15 C 0.5030(3) 0.1174(6) 0.5890(3) 0.0571(14) Uani 1 1 d . . . . .
H15 H 0.4705 0.0386 0.6060 0.068 Uiso 1 1 calc R U . . .
C16 C 0.5715(3) 0.1921(5) 0.6215(2) 0.0464(11) Uani 1 1 d . . . . .
H16 H 0.5852 0.1627 0.6603 0.056 Uiso 1 1 calc R U . . .
C17 C 0.6201(2) 0.3113(5) 0.59643(19) 0.0349(9) Uani 1 1 d . . . . .
C18 C 0.7346(2) 0.3067(5) 0.70343(18) 0.0324(9) Uani 1 1 d . . . . .
C19 C 0.8001(3) 0.0650(5) 0.7384(2) 0.0518(12) Uani 1 1 d . . . . .
H19 H 0.8191 -0.0361 0.7310 0.062 Uiso 1 1 calc R U . . .
C20 C 0.8090(3) 0.1236(6) 0.7945(2) 0.0567(13) Uani 1 1 d . . . . .
H20 H 0.8334 0.0619 0.8249 0.068 Uiso 1 1 calc R U . . .
C21 C 0.7820(3) 0.2722(6) 0.8056(2) 0.0536(12) Uani 1 1 d . . . . .
H21 H 0.7892 0.3122 0.8435 0.064 Uiso 1 1 calc R U . . .
C22 C 0.7437(3) 0.3646(5) 0.76020(19) 0.0412(10) Uani 1 1 d . . . . .
H22 H 0.7242 0.4651 0.7681 0.049 Uiso 1 1 calc R U . . .
C23 C 0.6193(3) 0.5730(4) 0.67158(18) 0.0333(9) Uani 1 1 d . . . . .
C24 C 0.5270(3) 0.5628(5) 0.6604(2) 0.0427(10) Uani 1 1 d . . . . .
H24 H 0.5032 0.4796 0.6384 0.051 Uiso 1 1 calc R U . . .
C25 C 0.4703(3) 0.6741(6) 0.6814(2) 0.0557(13) Uani 1 1 d . . . . .
H25 H 0.4090 0.6665 0.6727 0.067 Uiso 1 1 calc R U . . .
C26 C 0.5042(3) 0.7961(6) 0.7149(2) 0.0591(14) Uani 1 1 d . . . . .
H26 H 0.4661 0.8709 0.7291 0.071 Uiso 1 1 calc R U . . .
C27 C 0.5953(3) 0.8066(6) 0.7274(2) 0.0544(13) Uani 1 1 d . . . . .
H27 H 0.6182 0.8877 0.7509 0.065 Uiso 1 1 calc R U . . .
C28 C 0.6530(3) 0.6982(5) 0.7055(2) 0.0427(10) Uani 1 1 d . . . . .
H28 H 0.7144 0.7086 0.7133 0.051 Uiso 1 1 calc R U . . .
F29 F 0.6943(2) 0.9163(4) 0.37086(19) 0.0945(13) Uani 1 1 d . . . . .
F30 F 0.8374(2) 0.9296(4) 0.40154(18) 0.0890(11) Uani 1 1 d . . . . .
F31 F 0.8414(2) 0.6667(4) 0.41189(15) 0.0804(10) Uani 1 1 d . . . . .
F32 F 0.7395(3) 0.8062(4) 0.45663(16) 0.0904(11) Uani 1 1 d . . . . .
F33 F 0.6978(2) 0.6527(4) 0.38096(18) 0.0914(11) Uani 1 1 d . . . . .
F34 F 0.7969(2) 0.7746(4) 0.32563(14) 0.0812(10) Uani 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
P1 Mn2 2.3326(12) . ?
P1 C17 1.818(4) . ?
P1 C18 1.826(4) . ?
P1 C23 1.840(4) . ?
Mn2 N2 2.132(4) . ?
Mn2 C1 1.788(5) . ?
Mn2 C2 1.837(5) . ?
Mn2 C35 1.829(5) . ?
Mn2 C4 2.077(4) . ?
O1 C1 1.146(6) . ?
O2 C2 1.136(5) . ?
O3 C35 1.142(5) . ?
N1 C4 1.357(6) . ?
N1 C5 1.375(6) . ?
N1 C9 1.463(6) . ?
N2 H2 0.9800 . ?
N2 C10 1.487(6) . ?
N2 C11 1.489(5) . ?
C3 H3 0.9300 . ?
C3 C18 1.393(6) . ?
C3 C19 1.382(6) . ?
P4 F29 1.591(3) . ?
P4 F30 1.582(4) . ?
P4 F31 1.581(3) . ?
P4 F32 1.566(4) . ?
P4 F33 1.596(4) . ?
P4 F34 1.603(3) . ?
C4 N7 1.361(6) . ?
C5 H5 0.9300 . ?
C5 C6 1.315(9) . ?
C6 H6 0.9300 . ?
C6 N7 1.379(7) . ?
N7 C8 1.459(8) . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C9 C10 1.483(7) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C11 C12 1.510(6) . ?
C12 C13 1.400(6) . ?
C12 C17 1.395(6) . ?
C13 H13 0.9300 . ?
C13 C14 1.377(7) . ?
C14 H14 0.9300 . ?
C14 C15 1.369(8) . ?
C15 H15 0.9300 . ?
C15 C16 1.386(7) . ?
C16 H16 0.9300 . ?
C16 C17 1.395(6) . ?
C18 C22 1.385(6) . ?
C19 H19 0.9300 . ?
C19 C20 1.372(7) . ?
C20 H20 0.9300 . ?
C20 C21 1.364(7) . ?
C21 H21 0.9300 . ?
C21 C22 1.400(6) . ?
C22 H22 0.9300 . ?
C23 C24 1.393(6) . ?
C23 C28 1.398(6) . ?
C24 H24 0.9300 . ?
C24 C25 1.381(6) . ?
C25 H25 0.9300 . ?
C25 C26 1.375(7) . ?
C26 H26 0.9300 . ?
C26 C27 1.379(7) . ?
C27 H27 0.9300 . ?
C27 C28 1.382(6) . ?
C28 H28 0.9300 . ?

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
C17 P1 Mn2 114.11(14) . . ?
C17 P1 C18 105.29(19) . . ?
C17 P1 C23 100.99(18) . . ?
C18 P1 Mn2 112.80(12) . . ?
C18 P1 C23 105.95(18) . . ?
C23 P1 Mn2 116.42(13) . . ?
N2 Mn2 P1 90.37(10) . . ?
C1 Mn2 P1 89.60(15) . . ?
C1 Mn2 N2 172.66(18) . . ?
C1 Mn2 C2 88.0(2) . . ?
C1 Mn2 C35 84.9(2) . . ?
C1 Mn2 C4 98.4(2) . . ?
C2 Mn2 P1 175.43(16) . . ?
C2 Mn2 N2 92.51(19) . . ?
C2 Mn2 C4 87.73(18) . . ?
C35 Mn2 P1 91.76(13) . . ?
C35 Mn2 N2 87.77(17) . . ?
C35 Mn2 C2 91.90(19) . . ?
C35 Mn2 C4 176.7(2) . . ?
C4 Mn2 P1 88.77(11) . . ?
C4 Mn2 N2 88.94(16) . . ?
C4 N1 C5 111.4(5) . . ?
C4 N1 C9 127.0(4) . . ?
C5 N1 C9 121.5(5) . . ?
Mn2 N2 H2 101.6 . . ?
C10 N2 Mn2 119.2(3) . . ?
C10 N2 H2 101.6 . . ?
C10 N2 C11 112.3(4) . . ?
C11 N2 Mn2 116.6(3) . . ?
C11 N2 H2 101.6 . . ?
C18 C3 H3 119.9 . . ?
C19 C3 H3 119.9 . . ?
C19 C3 C18 120.2(4) . . ?
F29 P4 F33 90.9(2) . . ?
F29 P4 F34 89.9(2) . . ?
F30 P4 F29 88.7(2) . . ?
F30 P4 F33 179.0(2) . . ?
F30 P4 F34 89.2(2) . . ?
F31 P4 F29 179.2(2) . . ?
F31 P4 F30 91.5(2) . . ?
F31 P4 F33 88.9(2) . . ?
F31 P4 F34 89.35(19) . . ?
F32 P4 F29 90.3(2) . . ?
F32 P4 F30 91.3(2) . . ?
F32 P4 F31 90.4(2) . . ?
F32 P4 F33 89.6(2) . . ?
F32 P4 F34 179.5(2) . . ?
F33 P4 F34 89.9(2) . . ?
O1 C1 Mn2 174.1(5) . . ?
O2 C2 Mn2 174.3(5) . . ?
O3 C35 Mn2 176.8(4) . . ?
N1 C4 Mn2 126.7(3) . . ?
N1 C4 N7 103.6(4) . . ?
N7 C4 Mn2 129.4(4) . . ?
N1 C5 H5 126.7 . . ?
C6 C5 N1 106.6(5) . . ?
C6 C5 H5 126.7 . . ?
C5 C6 H6 125.9 . . ?
C5 C6 N7 108.1(5) . . ?
N7 C6 H6 125.9 . . ?
C4 N7 C6 110.2(5) . . ?
C4 N7 C8 127.3(5) . . ?
C6 N7 C8 122.5(5) . . ?
N7 C8 H8A 109.5 . . ?
N7 C8 H8B 109.5 . . ?
N7 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N1 C9 H9A 109.2 . . ?
N1 C9 H9B 109.2 . . ?
N1 C9 C10 111.9(4) . . ?
H9A C9 H9B 107.9 . . ?
C10 C9 H9A 109.2 . . ?
C10 C9 H9B 109.2 . . ?
N2 C10 H10A 108.8 . . ?
N2 C10 H10B 108.8 . . ?
C9 C10 N2 114.0(4) . . ?
C9 C10 H10A 108.8 . . ?
C9 C10 H10B 108.8 . . ?
H10A C10 H10B 107.7 . . ?
N2 C11 H11A 108.3 . . ?
N2 C11 H11B 108.3 . . ?
N2 C11 C12 116.1(3) . . ?
H11A C11 H11B 107.4 . . ?
C12 C11 H11A 108.3 . . ?
C12 C11 H11B 108.3 . . ?
C13 C12 C11 117.9(4) . . ?
C17 C12 C11 123.4(4) . . ?
C17 C12 C13 118.6(4) . . ?
C12 C13 H13 119.6 . . ?
C14 C13 C12 120.8(5) . . ?
C14 C13 H13 119.6 . . ?
C13 C14 H14 119.7 . . ?
C15 C14 C13 120.5(5) . . ?
C15 C14 H14 119.7 . . ?
C14 C15 H15 120.1 . . ?
C14 C15 C16 119.8(5) . . ?
C16 C15 H15 120.1 . . ?
C15 C16 H16 119.8 . . ?
C15 C16 C17 120.4(5) . . ?
C17 C16 H16 119.8 . . ?
C12 C17 P1 119.3(3) . . ?
C12 C17 C16 119.8(4) . . ?
C16 C17 P1 120.5(3) . . ?
C3 C18 P1 119.7(3) . . ?
C22 C18 P1 121.2(3) . . ?
C22 C18 C3 118.8(4) . . ?
C3 C19 H19 119.8 . . ?
C20 C19 C3 120.5(4) . . ?
C20 C19 H19 119.8 . . ?
C19 C20 H20 119.9 . . ?
C21 C20 C19 120.1(5) . . ?
C21 C20 H20 119.9 . . ?
C20 C21 H21 119.9 . . ?
C20 C21 C22 120.2(5) . . ?
C22 C21 H21 119.9 . . ?
C18 C22 C21 120.1(4) . . ?
C18 C22 H22 120.0 . . ?
C21 C22 H22 120.0 . . ?
C24 C23 P1 122.2(3) . . ?
C24 C23 C28 118.0(4) . . ?
C28 C23 P1 119.7(3) . . ?
C23 C24 H24 119.4 . . ?
C25 C24 C23 121.2(4) . . ?
C25 C24 H24 119.4 . . ?
C24 C25 H25 119.9 . . ?
C26 C25 C24 120.2(5) . . ?
C26 C25 H25 119.9 . . ?
C25 C26 H26 120.3 . . ?
C25 C26 C27 119.5(4) . . ?
C27 C26 H26 120.3 . . ?
C26 C27 H27 119.5 . . ?
C26 C27 C28 120.9(5) . . ?
C28 C27 H27 119.5 . . ?
C23 C28 H28 119.9 . . ?
C27 C28 C23 120.2(4) . . ?
C27 C28 H28 119.9 . . ?

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
P1 C18 C22 C21 -172.9(3) . . . . ?
P1 C23 C24 C25 -177.5(4) . . . . ?
P1 C23 C28 C27 179.1(4) . . . . ?
Mn2 P1 C17 C12 -35.3(3) . . . . ?
Mn2 P1 C17 C16 152.5(3) . . . . ?
Mn2 P1 C18 C3 -77.4(3) . . . . ?
Mn2 P1 C18 C22 96.2(3) . . . . ?
Mn2 P1 C23 C24 128.4(3) . . . . ?
Mn2 P1 C23 C28 -50.0(4) . . . . ?
Mn2 N2 C10 C9 57.4(5) . . . . ?
Mn2 N2 C11 C12 -74.0(4) . . . . ?
Mn2 C4 N7 C6 -175.8(4) . . . . ?
Mn2 C4 N7 C8 5.5(7) . . . . ?
N1 C4 N7 C6 -0.5(5) . . . . ?
N1 C4 N7 C8 -179.2(5) . . . . ?
N1 C5 C6 N7 0.2(7) . . . . ?
N1 C9 C10 N2 -67.7(5) . . . . ?
N2 C11 C12 C13 -128.4(4) . . . . ?
N2 C11 C12 C17 56.2(6) . . . . ?
C3 C18 C22 C21 0.8(6) . . . . ?
C3 C19 C20 C21 -0.5(8) . . . . ?
C4 N1 C5 C6 -0.5(6) . . . . ?
C4 N1 C9 C10 42.0(6) . . . . ?
C5 N1 C4 Mn2 176.1(3) . . . . ?
C5 N1 C4 N7 0.6(5) . . . . ?
C5 N1 C9 C10 -140.6(4) . . . . ?
C5 C6 N7 C4 0.2(7) . . . . ?
C5 C6 N7 C8 179.0(5) . . . . ?
C9 N1 C4 Mn2 -6.3(6) . . . . ?
C9 N1 C4 N7 178.3(4) . . . . ?
C9 N1 C5 C6 -178.3(5) . . . . ?
C10 N2 C11 C12 68.6(5) . . . . ?
C11 N2 C10 C9 -84.2(5) . . . . ?
C11 C12 C13 C14 -173.3(4) . . . . ?
C11 C12 C17 P1 4.1(5) . . . . ?
C11 C12 C17 C16 176.3(4) . . . . ?
C12 C13 C14 C15 -4.2(7) . . . . ?
C13 C12 C17 P1 -171.3(3) . . . . ?
C13 C12 C17 C16 1.0(6) . . . . ?
C13 C14 C15 C16 2.8(7) . . . . ?
C14 C15 C16 C17 0.5(7) . . . . ?
C15 C16 C17 P1 169.8(4) . . . . ?
C15 C16 C17 C12 -2.4(6) . . . . ?
C17 P1 C18 C3 47.6(4) . . . . ?
C17 P1 C18 C22 -138.7(3) . . . . ?
C17 P1 C23 C24 4.2(4) . . . . ?
C17 P1 C23 C28 -174.1(4) . . . . ?
C17 C12 C13 C14 2.3(6) . . . . ?
C18 P1 C17 C12 -159.5(3) . . . . ?
C18 P1 C17 C16 28.3(4) . . . . ?
C18 P1 C23 C24 -105.3(4) . . . . ?
C18 P1 C23 C28 76.3(4) . . . . ?
C18 C3 C19 C20 0.0(7) . . . . ?
C19 C3 C18 P1 173.6(3) . . . . ?
C19 C3 C18 C22 -0.2(6) . . . . ?
C19 C20 C21 C22 1.2(8) . . . . ?
C20 C21 C22 C18 -1.4(7) . . . . ?
C23 P1 C17 C12 90.4(3) . . . . ?
C23 P1 C17 C16 -81.8(4) . . . . ?
C23 P1 C18 C3 154.1(3) . . . . ?
C23 P1 C18 C22 -32.2(4) . . . . ?
C23 C24 C25 C26 -1.4(8) . . . . ?
C24 C23 C28 C27 0.7(7) . . . . ?
C24 C25 C26 C27 0.2(8) . . . . ?
C25 C26 C27 C28 1.5(8) . . . . ?
C26 C27 C28 C23 -1.9(7) . . . . ?
C28 C23 C24 C25 0.9(7) . . . . ?


_olex2_submission_special_instructions 'No special instructions were received'
