# 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 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_cu2i2-f_5_300_00_auto
_database_code_depnum_ccdc_archive 'CCDC 2515892'
loop_
_audit_author_name
_audit_author_address
'Zhaoxing Gao'
;Fuzhou University
China
;
_audit_update_record             
;
2026-01-16 deposited with the CCDC.	2026-02-16 downloaded from the CCDC.
;
_audit_creation_date             2025-12-31
_audit_creation_method           
;
Olex2 1.5
(compiled 2025.05.31 svn.r86d253d1 for OlexSys, GUI svn.r7254)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C40 H28 Cu2 F6 I2 N2 P2'
_chemical_formula_sum            'C40 H28 Cu2 F6 I2 N2 P2'
_chemical_formula_weight         1093.46
_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'
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'
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                   8.91430(10)
_cell_length_b                   9.99620(10)
_cell_length_c                   11.9783(2)
_cell_angle_alpha                71.9450(10)
_cell_angle_beta                 89.0310(10)
_cell_angle_gamma                80.7840(10)
_cell_volume                     1001.11(2)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    9330
_cell_measurement_temperature    300.00(10)
_cell_measurement_theta_max      26.1070
_cell_measurement_theta_min      1.7810
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.744
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.88477
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.43.106a (Rigaku Oxford Diffraction, 2024)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.814
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             530
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0340
_diffrn_reflns_av_unetI/netI     0.0284
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.916
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            19500
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.916
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.834
_diffrn_reflns_theta_min         1.789
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      300.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.916
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω      2.00  76.00   0.50    0.10    --   -0.51-106.00  89.00  148
  2  ω    -78.00  -7.00   0.50    0.10    --   -0.51 106.00-171.00  142
  3  ω      1.00 107.00   0.50    0.10    --   31.21-106.00  89.00  212
  4  ω   -107.00  -7.00   0.50    0.10    --  -32.22 106.00-171.00  200
  5  ω   -150.00 -92.00   0.50    0.10    --  -32.22-106.00  89.00  116
  6  ω    -45.00  82.00   0.50    0.10    --   -0.51  37.00 -90.00  254
  7  ω    -30.00  82.00   0.50    0.10    --   -0.51  19.00-180.00  224
  8  ω    -30.00  82.00   0.50    0.10    --   -0.51  19.00-180.00  224
  9  ω    -89.00  24.00   0.50    0.10    --   31.21 -19.00-120.00  226
 10  ω    -89.00  24.00   0.50    0.10    --   31.21 -19.00-180.00  226
 11  ω    -30.00 114.00   0.50    0.10    --   31.21  19.00  30.00  288
 12  ω    -89.00  24.00   0.50    0.10    --   31.21 -19.00-180.00  226
 13  ω   -152.00 -91.00   0.50    0.10    --  -32.22 -99.00   0.00  122
 14  ω    -45.00  50.00   0.50    0.10    --  -32.22  37.00  30.00  190
 15  ω    -11.00  42.00   0.50    0.10    --  -32.22 -99.00 -90.00  106
 16  ω   -152.00 -91.00   0.50    0.10    --  -32.22 -99.00  60.00  122
 17  ω    -11.00  42.00   0.50    0.10    --  -32.22 -99.00 -60.00  106
 18  ω    -45.00  50.00   0.50    0.10    --  -32.22  37.00 -90.00  190
 19  ω    -30.00  50.00   0.50    0.10    --  -32.22  19.00 150.00  160
 20  ω    -11.00  42.00   0.50    0.10    --  -32.22 -99.00-150.00  106
 21  ω   -152.00 -91.00   0.50    0.10    --  -32.22 -99.00 120.00  122
 22  ω   -111.00 -23.00   0.50    0.10    --  -32.22 125.00-120.00  176
 23  ω   -111.00 -23.00   0.50    0.10    --  -32.22 125.00-120.00  176
 24  ω    -11.00  42.00   0.50    0.10    --  -32.22 -99.00 -30.00  106
 25  ω   -152.00 -91.00   0.50    0.10    --  -32.22 -99.00  30.00  122
 26  ω   -152.00 -91.00   0.50    0.10    --  -32.22 -99.00-180.00  122
 27  ω    -30.00  50.00   0.50    0.10    --  -32.22  19.00 120.00  160
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'ROD, Synergy Custom DW system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0085146000
_diffrn_orient_matrix_UB_12      -0.0285725000
_diffrn_orient_matrix_UB_13      -0.0464060000
_diffrn_orient_matrix_UB_21      -0.0398888000
_diffrn_orient_matrix_UB_22      -0.0515973000
_diffrn_orient_matrix_UB_23      0.0373727000
_diffrn_orient_matrix_UB_31      -0.0695860000
_diffrn_orient_matrix_UB_32      0.0473623000
_diffrn_orient_matrix_UB_33      -0.0182635000
_diffrn_oxdiff_digest_hkl        
;
016831eeeac6d52c102da7ea671dca702845b3
;
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3468
_reflns_number_total             3946
_reflns_odcompleteness_completeness 91.64
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.78
_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 1.171.43.106a (Rigaku OD, 2024)'
_computing_data_collection       
'CrysAlisPro system (CCD 43.106a 64-bit (release 01-02-2024))'
_computing_data_reduction        'CrysAlisPro 1.171.43.106a (Rigaku OD, 2024)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.725
_refine_diff_density_min         -0.435
_refine_diff_density_rms         0.082
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     244
_refine_ls_number_reflns         3946
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0335
_refine_ls_R_factor_gt           0.0282
_refine_ls_restrained_S_all      1.045
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0363P)²+0.3183P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0678
_refine_ls_wR_factor_ref         0.0718
_refine_special_details          ?
_olex2_refinement_description    
;
1.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C1(H1), C10(H10), C4(H4), C16(H16), C14(H14), C8(H8), C13(H13),
 C12(H12), C6(H6), C20(H20), C18(H18), C7(H7), C19(H19)
;
_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
I1 I 0.47018(2) 1.16185(2) 0.09288(2) 0.04324(9) Uani 1 1 d . . . . .
Cu1 Cu 0.63964(4) 0.92261(4) 0.07709(3) 0.03858(11) Uani 1 1 d . . . . .
P1 P 0.60646(9) 0.75221(8) 0.24462(7) 0.03562(18) Uani 1 1 d . . . . .
N1 N 0.8516(3) 0.9735(2) 0.0260(2) 0.0362(5) Uani 1 1 d . . . . .
F1 F 0.9088(4) 0.3698(3) 0.0960(3) 0.1134(11) Uani 1 1 d . . . . .
F2 F 0.8251(3) 1.0157(3) 0.4885(3) 0.1032(9) Uani 1 1 d . . . . .
C3 C 0.7283(3) 0.5787(3) 0.2726(3) 0.0409(7) Uani 1 1 d . . . . .
C2 C 0.9035(4) 1.0825(3) 0.0449(3) 0.0454(8) Uani 1 1 d . . . . .
H2 H 0.839097 1.142953 0.076817 0.055 Uiso 1 1 calc R U . . .
C1 C 0.9506(4) 0.8910(3) -0.0189(3) 0.0465(8) Uani 1 1 d . . . . .
H1 H 0.920328 0.812850 -0.033283 0.056 Uiso 1 1 calc R U . . .
C9 C 0.6212(3) 0.7944(3) 0.3812(3) 0.0405(7) Uani 1 1 d . . . . .
C15 C 0.4156(4) 0.7079(4) 0.2473(3) 0.0472(8) Uani 1 1 d . . . . .
C10 C 0.7152(4) 0.8897(4) 0.3847(3) 0.0469(8) Uani 1 1 d . . . . .
H10 H 0.766918 0.932006 0.318371 0.056 Uiso 1 1 calc R U . . .
C4 C 0.7725(4) 0.5351(3) 0.1757(3) 0.0547(9) Uani 1 1 d . . . . .
H4 H 0.739172 0.592393 0.100387 0.066 Uiso 1 1 calc R U . . .
C16 C 0.2960(4) 0.8025(5) 0.2691(3) 0.0670(11) Uani 1 1 d . . . . .
H16 H 0.312448 0.884781 0.284483 0.080 Uiso 1 1 calc R U . . .
C11 C 0.7322(4) 0.9222(4) 0.4869(4) 0.0610(10) Uani 1 1 d . . . . .
C14 C 0.5435(4) 0.7345(4) 0.4825(3) 0.0569(9) Uani 1 1 d . . . . .
H14 H 0.479839 0.669344 0.482417 0.068 Uiso 1 1 calc R U . . .
C8 C 0.7818(4) 0.4907(4) 0.3828(4) 0.0646(11) Uani 1 1 d . . . . .
H8 H 0.754663 0.517757 0.448963 0.078 Uiso 1 1 calc R U . . .
F3 F 0.0383(3) 0.8657(5) 0.2897(3) 0.1705(19) Uani 1 1 d . . . . .
C13 C 0.5615(5) 0.7723(4) 0.5819(3) 0.0658(11) Uani 1 1 d . . . . .
H13 H 0.507305 0.733881 0.647934 0.079 Uiso 1 1 calc R U . . .
C5 C 0.8658(5) 0.4070(4) 0.1924(4) 0.0682(11) Uani 1 1 d . . . . .
C12 C 0.6570(5) 0.8647(5) 0.5860(4) 0.0677(11) Uani 1 1 d . . . . .
H12 H 0.670444 0.887828 0.654199 0.081 Uiso 1 1 calc R U . . .
C17 C 0.1523(5) 0.7700(7) 0.2671(4) 0.0909(18) Uani 1 1 d . . . . .
C6 C 0.9177(5) 0.3199(4) 0.3000(5) 0.0805(14) Uani 1 1 d . . . . .
H6 H 0.980520 0.233313 0.308735 0.097 Uiso 1 1 calc R U . . .
C20 C 0.3854(5) 0.5906(4) 0.2186(4) 0.0799(14) Uani 1 1 d . . . . .
H20 H 0.464714 0.529483 0.199947 0.096 Uiso 1 1 calc R U . . .
C18 C 0.1210(6) 0.6538(8) 0.2440(5) 0.115(2) Uani 1 1 d . . . . .
H18 H 0.021825 0.635300 0.246142 0.138 Uiso 1 1 calc R U . . .
C7 C 0.8760(5) 0.3619(5) 0.3948(4) 0.0857(15) Uani 1 1 d . . . . .
H7 H 0.911152 0.303305 0.469309 0.103 Uiso 1 1 calc R U . . .
C19 C 0.2373(6) 0.5638(7) 0.2175(6) 0.118(2) Uani 1 1 d . . . . .
H19 H 0.217758 0.484578 0.198642 0.142 Uiso 1 1 calc R U . . .


_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 Cu1 2.6740(4) . ?
I1 Cu1 2.6859(4) 2_675 ?
Cu1 Cu1 3.0253(7) 2_675 ?
Cu1 P1 2.2447(8) . ?
Cu1 N1 2.068(2) . ?
P1 C3 1.830(3) . ?
P1 C9 1.823(3) . ?
P1 C15 1.823(3) . ?
N1 C2 1.331(4) . ?
N1 C1 1.332(4) . ?
F1 C5 1.351(5) . ?
F2 C11 1.348(5) . ?
C3 C4 1.391(5) . ?
C3 C8 1.382(5) . ?
C2 H2 0.9300 . ?
C2 C1 1.381(4) 2_775 ?
C1 H1 0.9300 . ?
C9 C10 1.376(5) . ?
C9 C14 1.401(5) . ?
C15 C16 1.385(5) . ?
C15 C20 1.385(5) . ?
C10 H10 0.9300 . ?
C10 C11 1.376(5) . ?
C4 H4 0.9300 . ?
C4 C5 1.370(5) . ?
C16 H16 0.9300 . ?
C16 C17 1.374(6) . ?
C11 C12 1.365(6) . ?
C14 H14 0.9300 . ?
C14 C13 1.375(5) . ?
C8 H8 0.9300 . ?
C8 C7 1.388(6) . ?
F3 C17 1.364(7) . ?
C13 H13 0.9300 . ?
C13 C12 1.365(6) . ?
C5 C6 1.352(6) . ?
C12 H12 0.9300 . ?
C17 C18 1.345(8) . ?
C6 H6 0.9300 . ?
C6 C7 1.354(7) . ?
C20 H20 0.9300 . ?
C20 C19 1.389(6) . ?
C18 H18 0.9300 . ?
C18 C19 1.361(9) . ?
C7 H7 0.9300 . ?
C19 H19 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
Cu1 I1 Cu1 68.725(14) . 2_675 ?
I1 Cu1 I1 111.275(14) . 2_675 ?
I1 Cu1 Cu1 55.452(13) 2_675 2_675 ?
I1 Cu1 Cu1 55.823(12) . 2_675 ?
P1 Cu1 I1 105.59(2) . . ?
P1 Cu1 I1 104.65(2) . 2_675 ?
P1 Cu1 Cu1 117.52(3) . 2_675 ?
N1 Cu1 I1 106.56(7) . 2_675 ?
N1 Cu1 I1 106.34(6) . . ?
N1 Cu1 Cu1 120.11(7) . 2_675 ?
N1 Cu1 P1 122.37(7) . . ?
C3 P1 Cu1 117.12(11) . . ?
C9 P1 Cu1 117.11(11) . . ?
C9 P1 C3 104.02(14) . . ?
C15 P1 Cu1 110.86(10) . . ?
C15 P1 C3 102.91(15) . . ?
C15 P1 C9 103.03(15) . . ?
C2 N1 Cu1 122.7(2) . . ?
C2 N1 C1 115.4(3) . . ?
C1 N1 Cu1 121.7(2) . . ?
C4 C3 P1 117.3(2) . . ?
C8 C3 P1 124.4(3) . . ?
C8 C3 C4 118.3(3) . . ?
N1 C2 H2 118.8 . . ?
N1 C2 C1 122.3(3) . 2_775 ?
C1 C2 H2 118.8 2_775 . ?
N1 C1 C2 122.3(3) . 2_775 ?
N1 C1 H1 118.9 . . ?
C2 C1 H1 118.9 2_775 . ?
C10 C9 P1 117.8(2) . . ?
C10 C9 C14 118.5(3) . . ?
C14 C9 P1 123.8(3) . . ?
C16 C15 P1 118.0(3) . . ?
C20 C15 P1 122.3(3) . . ?
C20 C15 C16 119.4(3) . . ?
C9 C10 H10 120.1 . . ?
C9 C10 C11 119.7(3) . . ?
C11 C10 H10 120.1 . . ?
C3 C4 H4 120.3 . . ?
C5 C4 C3 119.3(4) . . ?
C5 C4 H4 120.3 . . ?
C15 C16 H16 121.3 . . ?
C17 C16 C15 117.3(5) . . ?
C17 C16 H16 121.3 . . ?
F2 C11 C10 118.8(4) . . ?
F2 C11 C12 118.9(4) . . ?
C12 C11 C10 122.4(4) . . ?
C9 C14 H14 120.1 . . ?
C13 C14 C9 119.9(4) . . ?
C13 C14 H14 120.1 . . ?
C3 C8 H8 120.0 . . ?
C3 C8 C7 120.0(4) . . ?
C7 C8 H8 120.0 . . ?
C14 C13 H13 119.2 . . ?
C12 C13 C14 121.6(4) . . ?
C12 C13 H13 119.2 . . ?
F1 C5 C4 117.6(4) . . ?
F1 C5 C6 119.8(4) . . ?
C6 C5 C4 122.7(4) . . ?
C11 C12 C13 118.0(4) . . ?
C11 C12 H12 121.0 . . ?
C13 C12 H12 121.0 . . ?
F3 C17 C16 115.3(6) . . ?
C18 C17 C16 124.2(5) . . ?
C18 C17 F3 120.5(5) . . ?
C5 C6 H6 120.8 . . ?
C5 C6 C7 118.4(4) . . ?
C7 C6 H6 120.8 . . ?
C15 C20 H20 119.8 . . ?
C15 C20 C19 120.4(5) . . ?
C19 C20 H20 119.8 . . ?
C17 C18 H18 120.7 . . ?
C17 C18 C19 118.7(5) . . ?
C19 C18 H18 120.7 . . ?
C8 C7 H7 119.4 . . ?
C6 C7 C8 121.3(4) . . ?
C6 C7 H7 119.4 . . ?
C20 C19 H19 120.1 . . ?
C18 C19 C20 119.8(6) . . ?
C18 C19 H19 120.1 . . ?

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
Cu1 P1 C3 C4 -32.5(3) . . . . ?
Cu1 P1 C3 C8 145.8(3) . . . . ?
Cu1 P1 C9 C10 -29.5(3) . . . . ?
Cu1 P1 C9 C14 151.1(2) . . . . ?
Cu1 P1 C15 C16 -75.7(3) . . . . ?
Cu1 P1 C15 C20 98.6(3) . . . . ?
Cu1 N1 C2 C1 174.8(3) . . . 2_775 ?
Cu1 N1 C1 C2 -174.9(3) . . . 2_775 ?
P1 C3 C4 C5 178.9(3) . . . . ?
P1 C3 C8 C7 -178.8(3) . . . . ?
P1 C9 C10 C11 -178.6(3) . . . . ?
P1 C9 C14 C13 179.9(3) . . . . ?
P1 C15 C16 C17 177.9(3) . . . . ?
P1 C15 C20 C19 -177.5(4) . . . . ?
F1 C5 C6 C7 178.2(4) . . . . ?
F2 C11 C12 C13 178.9(4) . . . . ?
C3 P1 C9 C10 101.5(3) . . . . ?
C3 P1 C9 C14 -78.0(3) . . . . ?
C3 P1 C15 C16 158.3(3) . . . . ?
C3 P1 C15 C20 -27.4(4) . . . . ?
C3 C4 C5 F1 -178.7(3) . . . . ?
C3 C4 C5 C6 -0.1(6) . . . . ?
C3 C8 C7 C6 0.2(7) . . . . ?
C2 N1 C1 C2 -0.5(6) . . . 2_775 ?
C1 N1 C2 C1 0.5(6) . . . 2_775 ?
C9 P1 C3 C4 -163.4(3) . . . . ?
C9 P1 C3 C8 14.8(3) . . . . ?
C9 P1 C15 C16 50.3(3) . . . . ?
C9 P1 C15 C20 -135.3(3) . . . . ?
C9 C10 C11 F2 179.9(3) . . . . ?
C9 C10 C11 C12 -1.0(5) . . . . ?
C9 C14 C13 C12 -1.7(6) . . . . ?
C15 P1 C3 C4 89.4(3) . . . . ?
C15 P1 C3 C8 -92.4(3) . . . . ?
C15 P1 C9 C10 -151.4(2) . . . . ?
C15 P1 C9 C14 29.1(3) . . . . ?
C15 C16 C17 F3 179.6(4) . . . . ?
C15 C16 C17 C18 -0.9(7) . . . . ?
C15 C20 C19 C18 0.4(8) . . . . ?
C10 C9 C14 C13 0.4(5) . . . . ?
C10 C11 C12 C13 -0.2(6) . . . . ?
C4 C3 C8 C7 -0.6(6) . . . . ?
C4 C5 C6 C7 -0.3(7) . . . . ?
C16 C15 C20 C19 -3.3(6) . . . . ?
C16 C17 C18 C19 -2.0(8) . . . . ?
C14 C9 C10 C11 0.9(5) . . . . ?
C14 C13 C12 C11 1.6(6) . . . . ?
C8 C3 C4 C5 0.6(5) . . . . ?
F3 C17 C18 C19 177.5(5) . . . . ?
C5 C6 C7 C8 0.3(8) . . . . ?
C17 C18 C19 C20 2.2(9) . . . . ?
C20 C15 C16 C17 3.4(6) . . . . ?

_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 1.235
_oxdiff_exptl_absorpt_empirical_full_min 0.795
