# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_rad818_0m_c
_database_code_depnum_ccdc_archive 'CCDC 2204230'
loop_
_audit_author_name
_audit_author_address
'Rasika Dias'
;The University of Texas at Arlington
United States of America
;
_audit_update_record             
;
2022-08-30 deposited with the CCDC.	2022-12-14 downloaded from the CCDC.
;
_audit_creation_date             2022-07-29
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C15 Cu3 F18 I3 N6'
_chemical_formula_sum            'C15 Cu3 F18 I3 N6'
_chemical_formula_weight         1177.53
_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'
Cu Cu 0.3201 1.2651 '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'
I I -0.4742 1.8119 '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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   9.2314(5)
_cell_length_b                   14.3123(7)
_cell_length_c                   20.1811(10)
_cell_angle_alpha                90
_cell_angle_beta                 97.717(2)
_cell_angle_gamma                90
_cell_volume                     2642.2(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9606
_cell_measurement_temperature    100.00
_cell_measurement_theta_max      30.56
_cell_measurement_theta_min      2.64
_shelx_estimated_absorpt_T_max   0.393
_shelx_estimated_absorpt_T_min   0.292
_exptl_absorpt_coefficient_mu    6.047
_exptl_absorpt_correction_T_max  0.2125
_exptl_absorpt_correction_T_min  0.1441
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1042 before and 0.0667 after correction.
The Ratio of minimum to maximum transmission is 0.6781.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.960
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2160
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.19
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0391
_diffrn_reflns_av_unetI/netI     0.0237
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            57828
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.587
_diffrn_reflns_theta_min         2.570
_diffrn_ambient_temperature      100.00
_diffrn_detector                 'charge-coupled device (CCD) area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'Photon 100 CMOS'
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 Quest'
_diffrn_measurement_method       '0.3\ ω and 0.3\ φ scans'
_diffrn_radiation_collimation    '0.6 mm double-pinhole'
_diffrn_radiation_detector       'Photon 100 CMOS'
_diffrn_radiation_monochromator  'curved graphite'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_xray_symbol    K-L~3~
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_type              'KFF MO-2KC-90'
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7258
_reflns_number_total             8101
_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.
;
# start Validation Reply Form
_vrf_PLAT971_rad818_0m_c         
;
PROBLEM: Check Calcd Resid. Dens.  0.91Ang From I3              3.25 eA-3  
RESPONSE: This molecule contains only heavy atoms including iodine.
Residual electron density very close to iodine is not unusual.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       'APEX3 Ver. 2016.5-0 (Bruker-AXS, 2016)'
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_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         3.382
_refine_diff_density_min         -1.883
_refine_diff_density_rms         0.305
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     406
_refine_ls_number_reflns         8101
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0710
_refine_ls_R_factor_gt           0.0625
_refine_ls_restrained_S_all      1.027
_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)+145.6139P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1446
_refine_ls_wR_factor_ref         0.1497
_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
I1 I 0.72041(7) 0.38967(4) 0.06627(3) 0.02146(13) Uani 1 1 d . . . . .
I2 I 0.25431(7) 0.38965(4) 0.58758(3) 0.01940(12) Uani 1 1 d . . . . .
I3 I 0.36911(7) 1.08046(4) 0.28586(3) 0.02331(14) Uani 1 1 d . . . . .
Cu1 Cu 0.50389(12) 0.67223(7) 0.24939(5) 0.0145(2) Uani 1 1 d . . . . .
Cu2 Cu 0.45467(12) 0.47482(7) 0.31956(5) 0.01305(19) Uani 1 1 d . . . . .
Cu3 Cu 0.35282(12) 0.67677(7) 0.38066(5) 0.0145(2) Uani 1 1 d . . . . .
F1 F 0.5860(7) 0.6575(4) 0.0749(3) 0.0296(13) Uani 1 1 d . . . . .
F2 F 0.8072(7) 0.6086(5) 0.0951(3) 0.0314(14) Uani 1 1 d . . . . .
F3 F 0.7223(8) 0.7027(4) 0.1629(3) 0.0296(14) Uani 1 1 d . . . . .
F4 F 0.4865(10) 0.2934(4) 0.2587(4) 0.046(2) Uani 1 1 d . . . . .
F5 F 0.4609(7) 0.2759(4) 0.1524(3) 0.0254(12) Uani 1 1 d . . . . .
F6 F 0.6735(7) 0.2595(4) 0.2092(3) 0.0267(13) Uani 1 1 d . . . . .
F7 F 0.4326(8) 0.2951(4) 0.3780(3) 0.0313(15) Uani 1 1 d . . . . .
F8 F 0.4914(6) 0.2788(4) 0.4843(3) 0.0226(11) Uani 1 1 d . . . . .
F9 F 0.2694(7) 0.2589(4) 0.4410(3) 0.0298(13) Uani 1 1 d . . . . .
F10 F 0.1700(9) 0.6944(5) 0.4800(3) 0.0380(18) Uani 1 1 d . . . . .
F11 F 0.0699(6) 0.5860(4) 0.5321(3) 0.0260(12) Uani 1 1 d . . . . .
F12 F 0.2760(7) 0.6433(5) 0.5749(3) 0.0300(14) Uani 1 1 d . . . . .
F13 F 0.2882(10) 0.8448(5) 0.4534(3) 0.042(2) Uani 1 1 d . . . . .
F14 F 0.4042(7) 0.9742(6) 0.4453(3) 0.0380(17) Uani 1 1 d . . . . .
F15 F 0.1834(6) 0.9630(5) 0.4022(3) 0.0278(13) Uani 1 1 d . . . . .
F16 F 0.4404(7) 0.9642(4) 0.1561(3) 0.0291(13) Uani 1 1 d . . . . .
F17 F 0.4737(8) 0.8162(4) 0.1474(3) 0.0321(15) Uani 1 1 d . . . . .
F18 F 0.6439(6) 0.9029(5) 0.1985(3) 0.0281(13) Uani 1 1 d . . . . .
N1 N 0.5733(8) 0.5614(5) 0.2157(4) 0.0151(13) Uani 1 1 d . . . . .
N2 N 0.5344(8) 0.4766(4) 0.2382(3) 0.0116(12) Uani 1 1 d . . . . .
N3 N 0.3743(8) 0.4782(5) 0.4007(3) 0.0143(13) Uani 1 1 d . . . . .
N4 N 0.3218(8) 0.5610(5) 0.4219(3) 0.0145(13) Uani 1 1 d . . . . .
N5 N 0.3845(8) 0.7924(5) 0.3394(3) 0.0130(12) Uani 1 1 d . . . . .
N6 N 0.4359(8) 0.7869(5) 0.2789(4) 0.0146(13) Uani 1 1 d . . . . .
C1 C 0.6400(9) 0.5482(6) 0.1608(4) 0.0135(14) Uani 1 1 d . . . . .
C2 C 0.6449(10) 0.4523(6) 0.1469(4) 0.0157(15) Uani 1 1 d . . . . .
C3 C 0.5795(9) 0.4123(6) 0.1966(4) 0.0138(14) Uani 1 1 d . . . . .
C4 C 0.6888(11) 0.6290(6) 0.1224(4) 0.0194(17) Uani 1 1 d . . . . .
C5 C 0.5509(11) 0.3110(6) 0.2053(4) 0.0184(17) Uani 1 1 d . . . . .
C6 C 0.3553(9) 0.4122(5) 0.4469(4) 0.0141(14) Uani 1 1 d . . . . .
C7 C 0.2924(9) 0.4519(5) 0.4993(4) 0.0128(14) Uani 1 1 d . . . . .
C8 C 0.2728(10) 0.5457(6) 0.4808(4) 0.0148(15) Uani 1 1 d . . . . .
C9 C 0.3886(10) 0.3120(6) 0.4374(4) 0.0166(15) Uani 1 1 d . . . . .
C10 C 0.1970(11) 0.6183(6) 0.5167(5) 0.0208(18) Uani 1 1 d . . . . .
C11 C 0.3576(9) 0.8826(6) 0.3493(4) 0.0141(14) Uani 1 1 d . . . . .
C12 C 0.3893(9) 0.9363(5) 0.2961(4) 0.0130(14) Uani 1 1 d . . . . .
C13 C 0.4402(10) 0.8735(6) 0.2525(4) 0.0173(16) Uani 1 1 d . . . . .
C14 C 0.3091(10) 0.9165(6) 0.4130(4) 0.0172(16) Uani 1 1 d . . . . .
C15 C 0.4994(10) 0.8901(6) 0.1884(4) 0.0192(16) 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
I1 C2 2.059(8) . ?
I2 C7 2.064(8) . ?
I3 C12 2.080(7) . ?
Cu1 N1 1.872(7) . ?
Cu1 N6 1.883(7) . ?
Cu2 N2 1.888(7) . ?
Cu2 N3 1.887(7) . ?
Cu3 N4 1.893(7) . ?
Cu3 N5 1.893(7) . ?
F1 C4 1.320(11) . ?
F2 C4 1.321(11) . ?
F3 C4 1.344(10) . ?
F4 C5 1.322(10) . ?
F5 C5 1.358(11) . ?
F6 C5 1.344(11) . ?
F7 C9 1.338(10) . ?
F8 C9 1.334(10) . ?
F9 C9 1.347(10) . ?
F10 C10 1.323(10) . ?
F11 C10 1.336(11) . ?
F12 C10 1.344(12) . ?
F13 C14 1.341(10) . ?
F14 C14 1.313(11) . ?
F15 C14 1.330(10) . ?
F16 C15 1.323(11) . ?
F17 C15 1.344(11) . ?
F18 C15 1.335(11) . ?
N1 N2 1.361(9) . ?
N1 C1 1.353(10) . ?
N2 C3 1.348(10) . ?
N3 N4 1.371(9) . ?
N3 C6 1.355(10) . ?
N4 C8 1.345(10) . ?
N5 N6 1.370(9) . ?
N5 C11 1.335(10) . ?
N6 C13 1.351(11) . ?
C1 C2 1.402(11) . ?
C1 C4 1.495(11) . ?
C2 C3 1.366(11) . ?
C3 C5 1.488(12) . ?
C6 C7 1.394(11) . ?
C6 C9 1.484(11) . ?
C7 C8 1.398(11) . ?
C8 C10 1.494(11) . ?
C11 C12 1.383(11) . ?
C11 C14 1.498(11) . ?
C12 C13 1.383(12) . ?
C13 C15 1.489(12) . ?

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 Cu1 N6 176.9(3) . . ?
N3 Cu2 N2 177.8(3) . . ?
N5 Cu3 N4 179.8(3) . . ?
N2 N1 Cu1 121.1(5) . . ?
C1 N1 Cu1 129.2(6) . . ?
C1 N1 N2 108.5(6) . . ?
N1 N2 Cu2 116.9(5) . . ?
C3 N2 Cu2 136.1(6) . . ?
C3 N2 N1 106.6(6) . . ?
N4 N3 Cu2 119.3(5) . . ?
C6 N3 Cu2 133.0(6) . . ?
C6 N3 N4 107.7(6) . . ?
N3 N4 Cu3 122.6(5) . . ?
C8 N4 Cu3 128.3(6) . . ?
C8 N4 N3 108.0(7) . . ?
N6 N5 Cu3 115.8(5) . . ?
C11 N5 Cu3 137.5(6) . . ?
C11 N5 N6 106.4(7) . . ?
N5 N6 Cu1 120.1(5) . . ?
C13 N6 Cu1 130.2(6) . . ?
C13 N6 N5 109.4(7) . . ?
N1 C1 C2 109.4(7) . . ?
N1 C1 C4 121.2(7) . . ?
C2 C1 C4 129.3(8) . . ?
C1 C2 I1 127.4(6) . . ?
C3 C2 I1 128.9(6) . . ?
C3 C2 C1 103.5(7) . . ?
N2 C3 C2 112.0(7) . . ?
N2 C3 C5 121.2(7) . . ?
C2 C3 C5 126.7(7) . . ?
F1 C4 F2 108.7(8) . . ?
F1 C4 F3 106.5(8) . . ?
F1 C4 C1 112.2(8) . . ?
F2 C4 F3 107.0(8) . . ?
F2 C4 C1 111.6(8) . . ?
F3 C4 C1 110.7(7) . . ?
F4 C5 F5 106.0(8) . . ?
F4 C5 F6 108.4(8) . . ?
F4 C5 C3 112.8(7) . . ?
F5 C5 C3 111.5(7) . . ?
F6 C5 F5 105.4(7) . . ?
F6 C5 C3 112.3(8) . . ?
N3 C6 C7 110.1(7) . . ?
N3 C6 C9 122.4(7) . . ?
C7 C6 C9 127.3(7) . . ?
C6 C7 I2 128.0(6) . . ?
C6 C7 C8 103.9(7) . . ?
C8 C7 I2 127.9(6) . . ?
N4 C8 C7 110.2(7) . . ?
N4 C8 C10 123.4(7) . . ?
C7 C8 C10 126.2(7) . . ?
F7 C9 F9 107.1(7) . . ?
F7 C9 C6 112.5(7) . . ?
F8 C9 F7 107.4(7) . . ?
F8 C9 F9 105.7(7) . . ?
F8 C9 C6 113.1(7) . . ?
F9 C9 C6 110.7(7) . . ?
F10 C10 F11 108.0(8) . . ?
F10 C10 F12 108.0(8) . . ?
F10 C10 C8 111.5(7) . . ?
F11 C10 F12 106.3(7) . . ?
F11 C10 C8 110.8(8) . . ?
F12 C10 C8 112.0(8) . . ?
N5 C11 C12 111.0(7) . . ?
N5 C11 C14 121.7(7) . . ?
C12 C11 C14 127.2(7) . . ?
C11 C12 I3 127.1(6) . . ?
C11 C12 C13 104.9(7) . . ?
C13 C12 I3 128.0(6) . . ?
N6 C13 C12 108.3(7) . . ?
N6 C13 C15 121.5(8) . . ?
C12 C13 C15 130.1(8) . . ?
F13 C14 C11 110.9(7) . . ?
F14 C14 F13 108.7(8) . . ?
F14 C14 F15 106.1(7) . . ?
F14 C14 C11 111.9(8) . . ?
F15 C14 F13 106.8(8) . . ?
F15 C14 C11 112.2(7) . . ?
F16 C15 F17 107.5(8) . . ?
F16 C15 F18 107.6(7) . . ?
F16 C15 C13 112.4(8) . . ?
F17 C15 C13 110.7(7) . . ?
F18 C15 F17 107.0(8) . . ?
F18 C15 C13 111.4(8) . . ?

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
I1 C2 C3 N2 -175.1(6) . . . . ?
I1 C2 C3 C5 1.9(14) . . . . ?
I2 C7 C8 N4 174.5(6) . . . . ?
I2 C7 C8 C10 -10.6(14) . . . . ?
I3 C12 C13 N6 179.5(6) . . . . ?
I3 C12 C13 C15 2.5(14) . . . . ?
Cu1 N1 N2 Cu2 -16.8(9) . . . . ?
Cu1 N1 N2 C3 169.3(6) . . . . ?
Cu1 N1 C1 C2 -167.5(6) . . . . ?
Cu1 N1 C1 C4 9.3(13) . . . . ?
Cu1 N6 C13 C12 -174.2(6) . . . . ?
Cu1 N6 C13 C15 3.1(13) . . . . ?
Cu2 N2 C3 C2 -173.1(7) . . . . ?
Cu2 N2 C3 C5 9.7(14) . . . . ?
Cu2 N3 N4 Cu3 -9.9(9) . . . . ?
Cu2 N3 N4 C8 -179.1(6) . . . . ?
Cu2 N3 C6 C7 178.7(6) . . . . ?
Cu2 N3 C6 C9 -5.5(13) . . . . ?
Cu3 N4 C8 C7 -168.4(6) . . . . ?
Cu3 N4 C8 C10 16.5(13) . . . . ?
Cu3 N5 N6 Cu1 -11.5(8) . . . . ?
Cu3 N5 N6 C13 174.2(6) . . . . ?
Cu3 N5 C11 C12 -171.7(7) . . . . ?
Cu3 N5 C11 C14 12.0(14) . . . . ?
N1 N2 C3 C2 -0.9(10) . . . . ?
N1 N2 C3 C5 -178.2(8) . . . . ?
N1 C1 C2 I1 175.6(6) . . . . ?
N1 C1 C2 C3 -0.6(10) . . . . ?
N1 C1 C4 F1 -89.6(10) . . . . ?
N1 C1 C4 F2 148.2(8) . . . . ?
N1 C1 C4 F3 29.2(12) . . . . ?
N2 N1 C1 C2 0.0(10) . . . . ?
N2 N1 C1 C4 176.9(8) . . . . ?
N2 C3 C5 F4 -3.6(13) . . . . ?
N2 C3 C5 F5 115.6(9) . . . . ?
N2 C3 C5 F6 -126.3(8) . . . . ?
N3 N4 C8 C7 0.0(10) . . . . ?
N3 N4 C8 C10 -175.1(8) . . . . ?
N3 C6 C7 I2 -174.1(6) . . . . ?
N3 C6 C7 C8 0.9(10) . . . . ?
N3 C6 C9 F7 -2.5(12) . . . . ?
N3 C6 C9 F8 119.3(9) . . . . ?
N3 C6 C9 F9 -122.4(9) . . . . ?
N4 N3 C6 C7 -1.0(10) . . . . ?
N4 N3 C6 C9 174.8(8) . . . . ?
N4 C8 C10 F10 7.2(14) . . . . ?
N4 C8 C10 F11 127.6(9) . . . . ?
N4 C8 C10 F12 -113.9(9) . . . . ?
N5 N6 C13 C12 -0.7(10) . . . . ?
N5 N6 C13 C15 176.6(8) . . . . ?
N5 C11 C12 I3 -179.5(6) . . . . ?
N5 C11 C12 C13 -0.9(10) . . . . ?
N5 C11 C14 F13 -4.4(12) . . . . ?
N5 C11 C14 F14 117.2(9) . . . . ?
N5 C11 C14 F15 -123.7(9) . . . . ?
N6 N5 C11 C12 0.5(10) . . . . ?
N6 N5 C11 C14 -175.8(8) . . . . ?
N6 C13 C15 F16 152.3(8) . . . . ?
N6 C13 C15 F17 32.1(12) . . . . ?
N6 C13 C15 F18 -86.8(11) . . . . ?
C1 N1 N2 Cu2 174.4(6) . . . . ?
C1 N1 N2 C3 0.5(9) . . . . ?
C1 C2 C3 N2 0.9(10) . . . . ?
C1 C2 C3 C5 178.0(9) . . . . ?
C2 C1 C4 F1 86.5(12) . . . . ?
C2 C1 C4 F2 -35.6(13) . . . . ?
C2 C1 C4 F3 -154.7(9) . . . . ?
C2 C3 C5 F4 179.6(9) . . . . ?
C2 C3 C5 F5 -61.2(12) . . . . ?
C2 C3 C5 F6 56.8(12) . . . . ?
C4 C1 C2 I1 -0.9(14) . . . . ?
C4 C1 C2 C3 -177.1(9) . . . . ?
C6 N3 N4 Cu3 169.8(6) . . . . ?
C6 N3 N4 C8 0.6(10) . . . . ?
C6 C7 C8 N4 -0.6(10) . . . . ?
C6 C7 C8 C10 174.3(9) . . . . ?
C7 C6 C9 F7 172.5(9) . . . . ?
C7 C6 C9 F8 -65.7(11) . . . . ?
C7 C6 C9 F9 52.6(12) . . . . ?
C7 C8 C10 F10 -167.1(9) . . . . ?
C7 C8 C10 F11 -46.7(13) . . . . ?
C7 C8 C10 F12 71.8(12) . . . . ?
C9 C6 C7 I2 10.4(13) . . . . ?
C9 C6 C7 C8 -174.5(9) . . . . ?
C11 N5 N6 Cu1 174.4(6) . . . . ?
C11 N5 N6 C13 0.1(9) . . . . ?
C11 C12 C13 N6 1.0(10) . . . . ?
C11 C12 C13 C15 -176.0(9) . . . . ?
C12 C11 C14 F13 179.9(9) . . . . ?
C12 C11 C14 F14 -58.5(12) . . . . ?
C12 C11 C14 F15 60.6(12) . . . . ?
C12 C13 C15 F16 -31.1(14) . . . . ?
C12 C13 C15 F17 -151.3(9) . . . . ?
C12 C13 C15 F18 89.8(12) . . . . ?
C14 C11 C12 I3 -3.4(13) . . . . ?
C14 C11 C12 C13 175.2(9) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
