# Supplementary Information (SI) for Inorganic 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 
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data_[1]PF6
_audit_block_doi                 10.5517/ccdc.csd.cc2pb1fj
_database_code_depnum_ccdc_archive 'CCDC 2482307'
loop_
_audit_author_name
_audit_author_address
'Subhas Subhas Samanta'
;Indian Institute of Technology Jammu
India
;
_audit_update_record             
;
2025-08-23 deposited with the CCDC.	2026-01-18 downloaded from the CCDC.
;
_audit_creation_date             2025-07-20
_audit_creation_method           
;
Olex2 1.3-alpha
(compiled 2019.04.25 svn.r3594 for OlexSys, GUI svn.r5751)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        '[1]PF6'
_chemical_formula_moiety         'C22 H16 Co N8, 1(F6 P1)'
_chemical_formula_sum            'C22 H16 Co F6 N8 P'
_chemical_formula_weight         596.33
_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'
Co Co 0.3494 0.9721 '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'
N N 0.0061 0.0033 '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      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                   9.2725(13)
_cell_length_b                   10.9522(16)
_cell_length_c                   14.998(2)
_cell_angle_alpha                109.536(5)
_cell_angle_beta                 92.760(4)
_cell_angle_gamma                111.969(4)
_cell_volume                     1304.7(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9720
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      32.6952
_cell_measurement_theta_min      2.4164
_shelx_estimated_absorpt_T_max   0.911
_shelx_estimated_absorpt_T_min   0.827
_exptl_absorpt_coefficient_mu    0.789
_exptl_absorpt_correction_T_max  0.827
_exptl_absorpt_correction_T_min  0.820
_exptl_absorpt_correction_type   cylinder
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic dark brown'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.518
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             600
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0410
_diffrn_reflns_av_unetI/netI     0.0289
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            66742
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         34.970
_diffrn_reflns_theta_min         2.106
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean 7.391
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  D8VENTURE
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Incoatec I\mS 3.0'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8086
_reflns_number_total             11455
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         0.715
_refine_diff_density_min         -1.154
_refine_diff_density_rms         0.094
_refine_ls_extinction_coef       0.009(3)
_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   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     427
_refine_ls_number_reflns         11455
_refine_ls_number_restraints     510
_refine_ls_R_factor_all          0.1117
_refine_ls_R_factor_gt           0.0855
_refine_ls_restrained_S_all      1.121
_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)+(0.1237P)²+1.3494P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2448
_refine_ls_wR_factor_ref         0.2777
_refine_special_details          Twin
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Restrained distances
 P1_2-F1_2 \\sim P1_2-F2_2 \\sim P1_2-F3_2 \\sim P1_2-F4_2 \\sim P1_2-F5_2
\\sim P1_2-F6_2
 P1_3-F1_3 \\sim P1_3-F2_3 \\sim P1_3-F3_3 \\sim P1_3-F4_3 \\sim P1_3-F5_3
\\sim P1_3-F6_3
 with sigma of 0.02
 F1_2-F2_2 \\sim F1_2-F4_2 \\sim F1_2-F5_2 \\sim F1_2-F6_2 \\sim F3_2-F2_2
\\sim F3_2-F4_2 \\sim F3_2-
 F5_2 \\sim F3_2-F6_2
 F1_3-F2_3 \\sim F1_3-F4_3 \\sim F1_3-F5_3 \\sim F1_3-F6_3 \\sim F3_3-F2_3
\\sim F3_3-F4_3 \\sim F3_3-
 F5_3 \\sim F3_3-F6_3
 with sigma of 0.04
 F1_2-F3_2 \\sim F2_2-F4_2 \\sim F6_2-F5_2
 F1_3-F3_3 \\sim F2_3-F4_3 \\sim F6_3-F5_3
 with sigma of 0.05
 N1_1-N1_1
 with sigma of 0.02
3. Rigid bond restraints
 N5_1, N4_1, N9_1, N10_1
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 1A with sigma of 0.04 and sigma
for terminal atoms of 0.08
N5_1 \\sim N4_1 \\sim N9_1 \\sim N10_1: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02
Uanis(P1_2) \\sim Ueq, Uanis(F1_2) \\sim Ueq, Uanis(F2_2) \\sim Ueq,
Uanis(F3_2) \\sim Ueq, Uanis(F4_2) \\sim Ueq, Uanis(F5_2) \\sim Ueq,
Uanis(F6_2) \\sim Ueq, Uanis(P1_3) \\sim Ueq, Uanis(F1_3) \\sim Ueq,
Uanis(F2_3) \\sim Ueq, Uanis(F3_3) \\sim Ueq, Uanis(F4_3) \\sim Ueq,
Uanis(F5_3) \\sim Ueq, Uanis(F6_3) \\sim Ueq: with sigma of 0.003 and sigma for
terminal atoms of 0.006
Uanis(N5_1) \\sim Ueq, Uanis(N4_1) \\sim Ueq, Uanis(N9_1) \\sim Ueq,
Uanis(N10_1) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
5. Rigid body (RIGU) restrains
 P1_2, F1_2, F2_2, F3_2, F4_2, F5_2, F6_2
 P1_3, F1_3, F2_3, F3_3, F4_3, F5_3, F6_3
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
6. Same fragment restrains
{P1_3, F1_3, F2_3, F3_3, F4_3, F5_3, F6_3}
as
{P1_2, F1_2, F2_2, F3_2, F4_2, F5_2, F6_2} sigma for 1-2: 0.02 1-3: 0.04
7. Others
 Sof(P1)=Sof(F1)=Sof(F2)=Sof(F3)=Sof(F4)=Sof(F5)=Sof(F6)=1-FVAR(1)
 Sof(P1)=Sof(F1)=Sof(F2)=Sof(F3)=Sof(F4)=Sof(F5)=Sof(F6)=FVAR(1)
 Sof(N9)=Sof(N10)=1-FVAR(2)
 Sof(N5)=Sof(N4)=FVAR(2)
8.a Aromatic/amide H refined with riding coordinates:
 C16(H16), C15(H15), C14(H14), C13(H13), C7(H7), C8(H8), C9(H9), C10(H10),
 C19(H19), C20(H20), C21(H21), C22(H22), C1(H1), C2(H2), C3(H3), C4(H4)
;
_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
N2 N -0.0152(4) 0.4525(4) 0.7715(3) 0.0718(9) Uani 1 1 d . U . . .
N3 N 0.0952(4) 0.4929(3) 0.8442(3) 0.0721(9) Uani 1 1 d . U . . .
N6 N 0.3306(3) 0.2937(4) 0.8626(2) 0.0583(7) Uani 1 1 d . U . . .
C17 C 0.3476(3) 0.2703(4) 0.9488(2) 0.0561(7) Uani 1 1 d . U . . .
C16 C 0.4015(4) 0.1721(4) 0.9582(2) 0.0574(7) Uani 1 1 d . U . . .
H16 H 0.426132 0.112640 0.904524 0.069 Uiso 1 1 calc R . . . .
C15 C 0.4187(4) 0.1626(4) 1.0474(3) 0.0559(7) Uani 1 1 d . U . . .
H15 H 0.455604 0.096063 1.055265 0.067 Uiso 1 1 calc R . . . .
C14 C 0.3823(4) 0.2498(4) 1.1257(2) 0.0542(6) Uani 1 1 d . U . . .
H14 H 0.393053 0.241249 1.186365 0.065 Uiso 1 1 calc R . . . .
C13 C 0.3313(4) 0.3477(4) 1.1162(2) 0.0560(7) Uani 1 1 d . U . . .
H13 H 0.308349 0.407816 1.170427 0.067 Uiso 1 1 calc R . . . .
C12 C 0.3128(3) 0.3594(4) 1.0268(3) 0.0567(7) Uani 1 1 d . U . . .
C6 C 0.1217(4) 0.6159(4) 0.9242(4) 0.0746(12) Uani 1 1 d . U . . .
C7 C 0.0733(5) 0.7201(4) 0.9213(4) 0.0764(11) Uani 1 1 d . U . . .
H7 H 0.020148 0.712270 0.862519 0.092 Uiso 1 1 calc R . . . .
C8 C 0.1039(5) 0.8357(4) 1.0058(4) 0.0717(11) Uani 1 1 d . U . . .
H8 H 0.073422 0.909010 1.004649 0.086 Uiso 1 1 calc R . . . .
C9 C 0.1774(4) 0.8460(4) 1.0909(3) 0.0676(10) Uani 1 1 d . U . . .
H9 H 0.195941 0.925614 1.148351 0.081 Uiso 1 1 calc R . . . .
C10 C 0.2247(5) 0.7424(4) 1.0943(4) 0.0707(10) Uani 1 1 d . U . . .
H10 H 0.275809 0.750530 1.153792 0.085 Uiso 1 1 calc R . . . .
C11 C 0.1979(4) 0.6272(4) 1.0114(4) 0.0750(12) Uani 1 1 d . U . . .
C18 C 0.3997(4) 0.3086(3) 0.7278(2) 0.0519(6) Uani 1 1 d . U . . .
C19 C 0.4607(5) 0.2694(4) 0.6450(3) 0.0643(8) Uani 1 1 d . U . . .
H19 H 0.505442 0.201679 0.633650 0.077 Uiso 1 1 calc R . . . .
C20 C 0.4539(6) 0.3326(5) 0.5799(3) 0.0760(11) Uani 1 1 d . U . . .
H20 H 0.492549 0.307311 0.521986 0.091 Uiso 1 1 calc R . . . .
C21 C 0.3907(6) 0.4324(5) 0.5992(3) 0.0731(10) Uani 1 1 d . U . . .
H21 H 0.390005 0.479339 0.556219 0.088 Uiso 1 1 calc R . . . .
C22 C 0.3287(5) 0.4634(4) 0.6814(3) 0.0611(8) Uani 1 1 d . U . . .
H22 H 0.281309 0.529197 0.693190 0.073 Uiso 1 1 calc R . . . .
C1 C 0.0068(4) 0.1165(4) 0.6826(2) 0.0613(8) Uani 1 1 d . U . . .
H1 H 0.062739 0.070296 0.702922 0.074 Uiso 1 1 calc R . . . .
C2 C -0.1018(5) 0.0430(5) 0.5958(3) 0.0755(11) Uani 1 1 d . U . . .
H2 H -0.123216 -0.053394 0.558881 0.091 Uiso 1 1 calc R . . . .
C3 C -0.1783(5) 0.1115(5) 0.5638(3) 0.0777(12) Uani 1 1 d . U . . .
H3 H -0.250538 0.063622 0.503524 0.093 Uiso 1 1 calc R . . . .
C4 C -0.1495(5) 0.2479(6) 0.6192(3) 0.0737(11) Uani 1 1 d . U . . .
H4 H -0.201458 0.296290 0.598114 0.088 Uiso 1 1 calc R . . . .
C5 C -0.0423(4) 0.3166(4) 0.7077(3) 0.0597(7) Uani 1 1 d . U . . .
Co1_1 Co 0.21113(5) 0.38972(5) 0.84853(3) 0.05306(14) Uani 1 1 d . U . . .
N7_1 N 0.4093(3) 0.2542(3) 0.7988(2) 0.0570(6) Uani 1 1 d . U . . .
N8_1 N 0.3336(3) 0.4028(3) 0.74538(18) 0.0496(5) Uani 1 1 d . U . . .
N5_1 N 0.2761(7) 0.4859(7) 1.0515(4) 0.0443(11) Uani 0.467(8) 1 d . U P A 1
N4_1 N 0.2333(5) 0.5037(5) 0.9756(3) 0.0403(11) Uani 0.467(8) 1 d . U P A 1
N9_1 N 0.2590(5) 0.4350(5) 0.9835(3) 0.0431(11) Uani 0.533(8) 1 d . U P A 2
N10_1 N 0.2521(7) 0.5400(7) 1.0536(4) 0.0510(11) Uani 0.533(8) 1 d . U P A 2
N1_1 N 0.0353(3) 0.2505(3) 0.73861(18) 0.0515(5) Uani 1 1 d D U . . .
P1_2 P 0.5951(5) 0.1392(5) 0.3288(4) 0.0535(8) Uani 0.427(6) 1 d D U P B 1
F1_2 F 0.6654(10) 0.2091(10) 0.2584(5) 0.094(2) Uani 0.427(6) 1 d D U P B 1
F2_2 F 0.4812(10) 0.2205(9) 0.3402(7) 0.0689(18) Uani 0.427(6) 1 d D U P B 1
F3_2 F 0.5065(10) 0.0592(9) 0.3930(8) 0.104(3) Uani 0.427(6) 1 d D U P B 1
F4_2 F 0.7074(7) 0.0606(6) 0.3309(5) 0.0540(13) Uani 0.427(6) 1 d D U P B 1
F5_2 F 0.4764(11) 0.0155(10) 0.2390(7) 0.114(3) Uani 0.427(6) 1 d D U P B 1
F6_2 F 0.6994(7) 0.2751(6) 0.4182(4) 0.0669(15) Uani 0.427(6) 1 d D U P B 1
P1_3 P 0.5547(5) 0.1190(5) 0.3290(3) 0.0624(8) Uani 0.573(6) 1 d D U P B 2
F1_3 F 0.5712(8) 0.0971(8) 0.2236(4) 0.0863(16) Uani 0.573(6) 1 d D U P B 2
F2_3 F 0.4236(8) 0.1724(8) 0.3295(5) 0.0785(17) Uani 0.573(6) 1 d D U P B 2
F3_3 F 0.5620(10) 0.1339(9) 0.4380(4) 0.118(2) Uani 0.573(6) 1 d D U P B 2
F4_3 F 0.6939(14) 0.0616(14) 0.3296(10) 0.153(4) Uani 0.573(6) 1 d D U P B 2
F5_3 F 0.4300(7) -0.0355(6) 0.3014(5) 0.0962(17) Uani 0.573(6) 1 d D U P B 2
F6_3 F 0.6936(11) 0.2682(8) 0.3591(8) 0.154(3) Uani 0.573(6) 1 d D U P B 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
N2 N3 1.290(6) . ?
N2 C5 1.392(5) . ?
N3 C6 1.399(5) . ?
N3 Co1_1 1.841(4) . ?
N6 C17 1.413(4) . ?
N6 Co1_1 1.837(3) . ?
N6 N7_1 1.289(4) . ?
C17 C16 1.387(5) . ?
C17 C12 1.390(5) . ?
C16 C15 1.382(5) . ?
C15 C14 1.391(5) . ?
C14 C13 1.367(5) . ?
C13 C12 1.398(5) . ?
C12 N5_1 1.482(8) . ?
C12 N9_1 1.412(5) . ?
C6 C7 1.386(6) . ?
C6 C11 1.400(8) . ?
C7 C8 1.383(7) . ?
C8 C9 1.368(7) . ?
C9 C10 1.375(6) . ?
C10 C11 1.374(6) . ?
C11 N4_1 1.446(6) . ?
C11 N10_1 1.516(8) . ?
C18 C19 1.392(4) . ?
C18 N7_1 1.397(4) . ?
C18 N8_1 1.347(4) . ?
C19 C20 1.385(6) . ?
C20 C21 1.381(7) . ?
C21 C22 1.379(5) . ?
C22 N8_1 1.344(4) . ?
C1 C2 1.386(5) . ?
C1 N1_1 1.339(5) . ?
C2 C3 1.380(7) . ?
C3 C4 1.358(7) . ?
C4 C5 1.401(6) . ?
C5 N1_1 1.356(4) . ?
Co1_1 N8_1 1.975(2) . ?
Co1_1 N4_1 1.847(5) . ?
Co1_1 N9_1 1.902(4) . ?
Co1_1 N1_1 1.975(3) . ?
N5_1 N4_1 1.286(8) . ?
N9_1 N10_1 1.298(8) . ?
P1_2 F1_2 1.535(7) . ?
P1_2 F2_2 1.599(8) . ?
P1_2 F3_2 1.572(8) . ?
P1_2 F4_2 1.585(6) . ?
P1_2 F5_2 1.543(8) . ?
P1_2 F6_2 1.553(7) . ?
P1_3 F1_3 1.542(6) . ?
P1_3 F2_3 1.533(6) . ?
P1_3 F3_3 1.583(7) . ?
P1_3 F4_3 1.634(9) . ?
P1_3 F5_3 1.547(6) . ?
P1_3 F6_3 1.552(8) . ?

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
N3 N2 C5 109.6(3) . . ?
N2 N3 C6 118.4(4) . . ?
N2 N3 Co1_1 122.3(3) . . ?
C6 N3 Co1_1 119.2(3) . . ?
C17 N6 Co1_1 119.8(3) . . ?
N7_1 N6 C17 117.8(3) . . ?
N7_1 N6 Co1_1 122.3(2) . . ?
C16 C17 N6 123.9(3) . . ?
C16 C17 C12 121.6(3) . . ?
C12 C17 N6 114.4(3) . . ?
C15 C16 C17 118.5(3) . . ?
C16 C15 C14 120.5(3) . . ?
C13 C14 C15 120.7(3) . . ?
C14 C13 C12 120.0(3) . . ?
C17 C12 C13 118.7(3) . . ?
C17 C12 N5_1 138.8(3) . . ?
C17 C12 N9_1 101.7(3) . . ?
C13 C12 N5_1 102.0(4) . . ?
C13 C12 N9_1 139.5(4) . . ?
N3 C6 C11 115.6(4) . . ?
C7 C6 N3 124.0(5) . . ?
C7 C6 C11 120.4(4) . . ?
C8 C7 C6 118.6(5) . . ?
C9 C8 C7 120.9(4) . . ?
C8 C9 C10 120.7(4) . . ?
C11 C10 C9 119.7(5) . . ?
C6 C11 N4_1 99.0(4) . . ?
C6 C11 N10_1 140.2(4) . . ?
C10 C11 C6 119.7(4) . . ?
C10 C11 N4_1 141.1(5) . . ?
C10 C11 N10_1 99.6(5) . . ?
C19 C18 N7_1 120.7(3) . . ?
N8_1 C18 C19 122.6(3) . . ?
N8_1 C18 N7_1 116.6(3) . . ?
C20 C19 C18 117.6(4) . . ?
C21 C20 C19 119.9(3) . . ?
C22 C21 C20 119.4(3) . . ?
N8_1 C22 C21 121.6(4) . . ?
N1_1 C1 C2 122.1(4) . . ?
C3 C2 C1 119.2(4) . . ?
C4 C3 C2 119.4(4) . . ?
C3 C4 C5 119.4(4) . . ?
N2 C5 C4 122.7(4) . . ?
N1_1 C5 N2 115.9(3) . . ?
N1_1 C5 C4 121.4(4) . . ?
N3 Co1_1 N8_1 103.86(14) . . ?
N3 Co1_1 N4_1 74.9(2) . . ?
N3 Co1_1 N9_1 101.27(19) . . ?
N3 Co1_1 N1_1 78.73(14) . . ?
N6 Co1_1 N3 175.75(15) . . ?
N6 Co1_1 N8_1 79.10(11) . . ?
N6 Co1_1 N4_1 100.90(18) . . ?
N6 Co1_1 N9_1 74.55(17) . . ?
N6 Co1_1 N1_1 104.81(13) . . ?
N8_1 Co1_1 N1_1 83.01(11) . . ?
N4_1 Co1_1 N8_1 135.73(17) . . ?
N4_1 Co1_1 N1_1 137.19(16) . . ?
N9_1 Co1_1 N8_1 136.14(15) . . ?
N9_1 Co1_1 N1_1 137.33(15) . . ?
N6 N7_1 C18 109.1(3) . . ?
C18 N8_1 Co1_1 109.79(19) . . ?
C22 N8_1 C18 118.9(3) . . ?
C22 N8_1 Co1_1 129.4(2) . . ?
N4_1 N5_1 C12 111.7(5) . . ?
C11 N4_1 Co1_1 127.7(4) . . ?
N5_1 N4_1 C11 105.0(5) . . ?
N5_1 N4_1 Co1_1 127.3(5) . . ?
C12 N9_1 Co1_1 125.5(3) . . ?
N10_1 N9_1 C12 106.5(5) . . ?
N10_1 N9_1 Co1_1 128.0(4) . . ?
N9_1 N10_1 C11 108.9(5) . . ?
C1 N1_1 C5 118.5(3) . . ?
C1 N1_1 Co1_1 129.6(2) . . ?
C5 N1_1 Co1_1 110.4(2) . . ?
F1_2 P1_2 F2_2 87.5(5) . . ?
F1_2 P1_2 F3_2 174.0(6) . . ?
F1_2 P1_2 F4_2 98.6(5) . . ?
F1_2 P1_2 F5_2 86.0(6) . . ?
F1_2 P1_2 F6_2 92.3(5) . . ?
F3_2 P1_2 F2_2 90.0(5) . . ?
F3_2 P1_2 F4_2 84.3(5) . . ?
F4_2 P1_2 F2_2 172.9(6) . . ?
F5_2 P1_2 F2_2 90.6(5) . . ?
F5_2 P1_2 F3_2 88.6(6) . . ?
F5_2 P1_2 F4_2 93.6(5) . . ?
F5_2 P1_2 F6_2 171.8(5) . . ?
F6_2 P1_2 F2_2 81.3(5) . . ?
F6_2 P1_2 F3_2 92.6(5) . . ?
F6_2 P1_2 F4_2 94.6(4) . . ?
F1_3 P1_3 F3_3 170.3(5) . . ?
F1_3 P1_3 F4_3 84.3(6) . . ?
F1_3 P1_3 F5_3 93.3(4) . . ?
F1_3 P1_3 F6_3 87.4(6) . . ?
F2_3 P1_3 F1_3 96.4(4) . . ?
F2_3 P1_3 F3_3 93.3(4) . . ?
F2_3 P1_3 F4_3 179.3(7) . . ?
F2_3 P1_3 F5_3 91.0(4) . . ?
F2_3 P1_3 F6_3 95.1(5) . . ?
F3_3 P1_3 F4_3 86.1(6) . . ?
F5_3 P1_3 F3_3 87.2(5) . . ?
F5_3 P1_3 F4_3 88.7(6) . . ?
F5_3 P1_3 F6_3 173.7(5) . . ?
F6_3 P1_3 F3_3 91.2(6) . . ?
F6_3 P1_3 F4_3 85.1(6) . . ?

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
N2 N3 C6 C7 -20.0(5) . . . . ?
N2 N3 C6 C11 157.9(3) . . . . ?
N2 N3 Co1_1 N8_1 66.4(3) . . . . ?
N2 N3 Co1_1 N4_1 -159.4(4) . . . . ?
N2 N3 Co1_1 N9_1 -149.8(3) . . . . ?
N2 N3 Co1_1 N1_1 -13.4(3) . . . . ?
N2 C5 N1_1 C1 176.3(3) . . . . ?
N2 C5 N1_1 Co1_1 -16.7(4) . . . . ?
N3 N2 C5 C4 -176.2(4) . . . . ?
N3 N2 C5 N1_1 7.2(5) . . . . ?
N3 C6 C7 C8 178.8(4) . . . . ?
N3 C6 C11 C10 -178.1(3) . . . . ?
N3 C6 C11 N4_1 6.1(4) . . . . ?
N3 C6 C11 N10_1 -7.9(7) . . . . ?
N3 Co1_1 N4_1 C11 -15.5(4) . . . . ?
N3 Co1_1 N4_1 N5_1 160.6(5) . . . . ?
N6 C17 C16 C15 177.6(3) . . . . ?
N6 C17 C12 C13 -177.9(3) . . . . ?
N6 C17 C12 N5_1 -7.8(6) . . . . ?
N6 C17 C12 N9_1 4.6(4) . . . . ?
N6 Co1_1 N4_1 C11 164.4(4) . . . . ?
N6 Co1_1 N4_1 N5_1 -19.4(5) . . . . ?
C17 N6 Co1_1 N8_1 162.9(3) . . . . ?
C17 N6 Co1_1 N4_1 28.0(3) . . . . ?
C17 N6 Co1_1 N9_1 18.3(3) . . . . ?
C17 N6 Co1_1 N1_1 -117.4(2) . . . . ?
C17 N6 N7_1 C18 -169.5(3) . . . . ?
C17 C16 C15 C14 0.1(5) . . . . ?
C17 C12 N5_1 N4_1 17.8(7) . . . . ?
C17 C12 N9_1 Co1_1 11.0(4) . . . . ?
C17 C12 N9_1 N10_1 -168.0(4) . . . . ?
C16 C17 C12 C13 -0.7(5) . . . . ?
C16 C17 C12 N5_1 169.3(4) . . . . ?
C16 C17 C12 N9_1 -178.2(3) . . . . ?
C16 C15 C14 C13 -1.0(5) . . . . ?
C15 C14 C13 C12 1.0(5) . . . . ?
C14 C13 C12 C17 -0.2(5) . . . . ?
C14 C13 C12 N5_1 -173.5(3) . . . . ?
C14 C13 C12 N9_1 176.1(4) . . . . ?
C13 C12 N5_1 N4_1 -171.1(4) . . . . ?
C13 C12 N9_1 Co1_1 -165.6(3) . . . . ?
C13 C12 N9_1 N10_1 15.3(7) . . . . ?
C12 C17 C16 C15 0.8(5) . . . . ?
C12 N5_1 N4_1 C11 178.4(3) . . . . ?
C12 N5_1 N4_1 Co1_1 1.5(7) . . . . ?
C12 N9_1 N10_1 C11 178.9(3) . . . . ?
C6 N3 Co1_1 N8_1 -116.8(3) . . . . ?
C6 N3 Co1_1 N4_1 17.5(3) . . . . ?
C6 N3 Co1_1 N9_1 27.0(3) . . . . ?
C6 N3 Co1_1 N1_1 163.4(3) . . . . ?
C6 C7 C8 C9 -1.3(6) . . . . ?
C6 C11 N4_1 Co1_1 9.1(5) . . . . ?
C6 C11 N4_1 N5_1 -167.8(4) . . . . ?
C6 C11 N10_1 N9_1 18.5(8) . . . . ?
C7 C6 C11 C10 -0.1(5) . . . . ?
C7 C6 C11 N4_1 -175.9(4) . . . . ?
C7 C6 C11 N10_1 170.2(5) . . . . ?
C7 C8 C9 C10 0.9(6) . . . . ?
C8 C9 C10 C11 -0.1(6) . . . . ?
C9 C10 C11 C6 -0.4(5) . . . . ?
C9 C10 C11 N4_1 173.0(5) . . . . ?
C9 C10 C11 N10_1 -174.0(4) . . . . ?
C10 C11 N4_1 Co1_1 -165.1(4) . . . . ?
C10 C11 N4_1 N5_1 18.1(7) . . . . ?
C10 C11 N10_1 N9_1 -170.1(4) . . . . ?
C11 C6 C7 C8 0.9(6) . . . . ?
C18 C19 C20 C21 1.1(7) . . . . ?
C19 C18 N7_1 N6 -173.2(3) . . . . ?
C19 C18 N8_1 C22 -1.2(5) . . . . ?
C19 C18 N8_1 Co1_1 164.5(3) . . . . ?
C19 C20 C21 C22 -2.8(7) . . . . ?
C20 C21 C22 N8_1 2.6(7) . . . . ?
C21 C22 N8_1 C18 -0.6(5) . . . . ?
C21 C22 N8_1 Co1_1 -163.0(3) . . . . ?
C1 C2 C3 C4 -2.0(7) . . . . ?
C2 C1 N1_1 C5 -1.6(6) . . . . ?
C2 C1 N1_1 Co1_1 -165.7(3) . . . . ?
C2 C3 C4 C5 0.1(7) . . . . ?
C3 C4 C5 N2 -175.3(4) . . . . ?
C3 C4 C5 N1_1 1.1(6) . . . . ?
C4 C5 N1_1 C1 -0.4(5) . . . . ?
C4 C5 N1_1 Co1_1 166.6(3) . . . . ?
C5 N2 N3 C6 -169.3(3) . . . . ?
C5 N2 N3 Co1_1 7.5(4) . . . . ?
Co1_1 N3 C6 C7 163.0(3) . . . . ?
Co1_1 N3 C6 C11 -19.0(4) . . . . ?
Co1_1 N6 C17 C16 164.0(3) . . . . ?
Co1_1 N6 C17 C12 -19.0(4) . . . . ?
Co1_1 N6 N7_1 C18 5.9(4) . . . . ?
Co1_1 N9_1 N10_1 C11 -0.1(6) . . . . ?
N7_1 N6 C17 C16 -20.5(5) . . . . ?
N7_1 N6 C17 C12 156.6(3) . . . . ?
N7_1 N6 Co1_1 N8_1 -12.4(3) . . . . ?
N7_1 N6 Co1_1 N4_1 -147.3(3) . . . . ?
N7_1 N6 Co1_1 N9_1 -157.0(3) . . . . ?
N7_1 N6 Co1_1 N1_1 67.3(3) . . . . ?
N7_1 C18 C19 C20 -177.0(4) . . . . ?
N7_1 C18 N8_1 C22 176.8(3) . . . . ?
N7_1 C18 N8_1 Co1_1 -17.6(3) . . . . ?
N8_1 C18 C19 C20 0.9(6) . . . . ?
N8_1 C18 N7_1 N6 8.7(4) . . . . ?
N8_1 Co1_1 N4_1 C11 78.9(4) . . . . ?
N8_1 Co1_1 N4_1 N5_1 -104.9(5) . . . . ?
N1_1 C1 C2 C3 2.8(7) . . . . ?
N1_1 Co1_1 N4_1 C11 -69.4(5) . . . . ?
N1_1 Co1_1 N4_1 N5_1 106.8(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 'Vapour deposition'
