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

data_1
_database_code_depnum_ccdc_archive 'CCDC 2163337'
loop_
_audit_author_name
_audit_author_address
'Pengshuang '
;Fuzhou University
China
;
_audit_update_record             
;
2022-03-30 deposited with the CCDC.	2022-05-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C36 H20 Co10 Cu4 I4 N4 O31'
_chemical_formula_weight         2355.62

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'
Cu Cu 0.3201 1.2651 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      cubic
_space_group_IT_number           216
_space_group_name_H-M_alt        'F -4 3 m'
_space_group_name_Hall           'F -4 2 3'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-x, y, -z'
'x, -y, -z'
'z, x, y'
'z, -x, -y'
'-z, -x, y'
'-z, x, -y'
'y, z, x'
'-y, z, -x'
'y, -z, -x'
'-y, -z, x'
'y, x, z'
'-y, -x, z'
'y, -x, -z'
'-y, x, -z'
'x, z, y'
'-x, z, -y'
'-x, -z, y'
'x, -z, -y'
'z, y, x'
'z, -y, -x'
'-z, y, -x'
'-z, -y, x'
'x, y+1/2, z+1/2'
'-x, -y+1/2, z+1/2'
'-x, y+1/2, -z+1/2'
'x, -y+1/2, -z+1/2'
'z, x+1/2, y+1/2'
'z, -x+1/2, -y+1/2'
'-z, -x+1/2, y+1/2'
'-z, x+1/2, -y+1/2'
'y, z+1/2, x+1/2'
'-y, z+1/2, -x+1/2'
'y, -z+1/2, -x+1/2'
'-y, -z+1/2, x+1/2'
'y, x+1/2, z+1/2'
'-y, -x+1/2, z+1/2'
'y, -x+1/2, -z+1/2'
'-y, x+1/2, -z+1/2'
'x, z+1/2, y+1/2'
'-x, z+1/2, -y+1/2'
'-x, -z+1/2, y+1/2'
'x, -z+1/2, -y+1/2'
'z, y+1/2, x+1/2'
'z, -y+1/2, -x+1/2'
'-z, y+1/2, -x+1/2'
'-z, -y+1/2, x+1/2'
'x+1/2, y, z+1/2'
'-x+1/2, -y, z+1/2'
'-x+1/2, y, -z+1/2'
'x+1/2, -y, -z+1/2'
'z+1/2, x, y+1/2'
'z+1/2, -x, -y+1/2'
'-z+1/2, -x, y+1/2'
'-z+1/2, x, -y+1/2'
'y+1/2, z, x+1/2'
'-y+1/2, z, -x+1/2'
'y+1/2, -z, -x+1/2'
'-y+1/2, -z, x+1/2'
'y+1/2, x, z+1/2'
'-y+1/2, -x, z+1/2'
'y+1/2, -x, -z+1/2'
'-y+1/2, x, -z+1/2'
'x+1/2, z, y+1/2'
'-x+1/2, z, -y+1/2'
'-x+1/2, -z, y+1/2'
'x+1/2, -z, -y+1/2'
'z+1/2, y, x+1/2'
'z+1/2, -y, -x+1/2'
'-z+1/2, y, -x+1/2'
'-z+1/2, -y, x+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, -z'
'z+1/2, x+1/2, y'
'z+1/2, -x+1/2, -y'
'-z+1/2, -x+1/2, y'
'-z+1/2, x+1/2, -y'
'y+1/2, z+1/2, x'
'-y+1/2, z+1/2, -x'
'y+1/2, -z+1/2, -x'
'-y+1/2, -z+1/2, x'
'y+1/2, x+1/2, z'
'-y+1/2, -x+1/2, z'
'y+1/2, -x+1/2, -z'
'-y+1/2, x+1/2, -z'
'x+1/2, z+1/2, y'
'-x+1/2, z+1/2, -y'
'-x+1/2, -z+1/2, y'
'x+1/2, -z+1/2, -y'
'z+1/2, y+1/2, x'
'z+1/2, -y+1/2, -x'
'-z+1/2, y+1/2, -x'
'-z+1/2, -y+1/2, x'

_cell_length_a                   27.880(14)
_cell_length_b                   27.880(14)
_cell_length_c                   27.880(14)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     21672(33)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    0.722
_exptl_crystal_F_000             4440
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_absorpt_coefficient_mu    1.721
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            12626
_diffrn_reflns_av_unetI/netI     0.0464
_diffrn_reflns_av_R_equivalents  0.0670
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         1.461
_diffrn_reflns_theta_max         23.197
_diffrn_reflns_theta_full        23.197
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             1563
_reflns_number_gt                1183
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.874
_reflns_Friedel_fraction_max     0.999
_reflns_Friedel_fraction_full    0.999

_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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          
;
 Refined as a 2-component perfect inversion twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1890P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Refined as a perfect inversion twin.
;
_refine_ls_abs_structure_Flack   0.5
_chemical_absolute_configuration ?
_refine_ls_number_reflns         1563
_refine_ls_number_parameters     60
_refine_ls_number_restraints     29
_refine_ls_R_factor_all          0.0601
_refine_ls_R_factor_gt           0.0461
_refine_ls_wR_factor_ref         0.1625
_refine_ls_wR_factor_gt          0.1478
_refine_ls_goodness_of_fit_ref   0.654
_refine_ls_restrained_S_all      0.652
_refine_ls_shift/su_max          1.909
_refine_ls_shift/su_mean         0.032

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 0.44276(3) 0.55724(3) 0.94276(3) 0.0964(6) Uani 1 6 d S T P . .
Cu1 Cu 0.53305(6) 0.53305(6) 0.96695(6) 0.0952(10) Uani 1 6 d S T P A .
Co1 Co 0.67187(9) 0.67187(9) 0.67187(9) 0.1286(16) Uani 1 6 d S T P . .
Co2 Co 0.67233(9) 0.750000 0.750000 0.0748(7) Uani 1 4 d S T P . .
O1 O 0.750000 0.750000 0.750000 0.120(9) Uani 1 24 d S TU P . .
O2 O 0.6782(2) 0.6782(2) 0.7486(3) 0.081(2) Uani 1 2 d S TU P . .
O1W O 0.6738(9) 0.6738(9) 0.5975(11) 0.262(11) Uani 1 2 d S TU P . .
O2W O 0.5971(6) 0.750000 0.750000 0.123(5) Uani 1 4 d S TU P . .
N1 N 0.5738(5) 0.5738(5) 0.9262(5) 0.121(8) Uani 1 6 d DS T P . .
C1 C 0.6090(7) 0.5586(17) 0.8910(7) 0.103(7) Uani 0.3333 2 d DS T P A 1
H1 H 0.611986 0.525554 0.888014 0.123 Uiso 0.3333 2 calc R U P A 1
C2 C 0.6342(10) 0.5806(9) 0.8658(10) 0.103(7) Uani 0.3333 2 d DS T P A 1
H2 H 0.654923 0.564768 0.845077 0.123 Uiso 0.3333 2 calc R U P A 1
C3 C 0.6251(10) 0.5732(11) 0.9268(11) 0.103(7) Uani 0.3333 2 d DS T P A 2
H3 H 0.640351 0.552231 0.947769 0.123 Uiso 0.3333 2 calc R U P A 2
C4 C 0.6485(16) 0.5972(7) 0.9028(7) 0.103(7) Uani 0.3333 2 d DS T P A 2
H4 H 0.681465 0.593519 0.906481 0.123 Uiso 0.3333 2 calc R U P A 2
C5 C 0.6332(5) 0.6332(5) 0.8668(5) 0.095(7) Uani 1 6 d DS T P . .
C6 C 0.6513(4) 0.6513(4) 0.7811(5) 0.087(4) Uani 1 2 d S T P . .
H6A H 0.657207 0.617415 0.775693 0.104 Uiso 0.5 1 calc R U P A .
H6B H 0.617415 0.657207 0.775693 0.104 Uiso 0.5 1 calc R U P . .
C7 C 0.6644(5) 0.6644(5) 0.8356(5) 0.097(7) Uani 1 6 d S T P . .


_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 2.692(2) . ?
I1 Cu1 2.692(2) 3_657 ?
I1 Cu1 2.692(2) 2_665 ?
Cu1 N1 1.97(3) . ?
Cu1 Cu1 2.606(5) 2_665 ?
Cu1 Cu1 2.606(5) 4_567 ?
Cu1 Cu1 2.606(5) 3_657 ?
Co1 O1W 2.08(3) 9 ?
Co1 O1W 2.08(3) 5 ?
Co1 O1W 2.08(3) . ?
Co1 O2 2.155(10) . ?
Co1 O2 2.155(10) 9 ?
Co1 O2 2.155(10) 5 ?
Co2 O2 2.009(5) . ?
Co2 O2 2.009(5) 35_566 ?
Co2 O2 2.009(5) 28_566 ?
Co2 O2 2.009(5) 9 ?
Co2 O2W 2.098(17) . ?
Co2 O1 2.165(3) . ?
O2 C6 1.396(16) . ?
N1 C3 1.43(2) 35_566 ?
N1 C3 1.43(2) 56_656 ?
N1 C3 1.43(2) . ?
N1 C1 1.45(2) . ?
N1 C1 1.45(2) 56_656 ?
N1 C1 1.45(2) 35_566 ?
C1 C2 1.17(4) . ?
C1 H1 0.9300 . ?
C2 C5 1.47(2) . ?
C2 H2 0.9300 . ?
C3 C4 1.15(4) . ?
C3 H3 0.9300 . ?
C4 C5 1.48(3) . ?
C4 H4 0.9300 . ?
C5 C7 1.50(4) . ?
C6 C7 1.605(15) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?

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 57.90(10) . 3_657 ?
Cu1 I1 Cu1 57.90(10) . 2_665 ?
Cu1 I1 Cu1 57.90(10) 3_657 2_665 ?
N1 Cu1 Cu1 144.734(2) . 2_665 ?
N1 Cu1 Cu1 144.734(4) . 4_567 ?
Cu1 Cu1 Cu1 60.0 2_665 4_567 ?
N1 Cu1 Cu1 144.734(2) . 3_657 ?
Cu1 Cu1 Cu1 60.0 2_665 3_657 ?
Cu1 Cu1 Cu1 60.0 4_567 3_657 ?
N1 Cu1 I1 104.51(6) . . ?
Cu1 Cu1 I1 61.05(5) 2_665 . ?
Cu1 Cu1 I1 110.76(6) 4_567 . ?
Cu1 Cu1 I1 61.05(5) 3_657 . ?
N1 Cu1 I1 104.51(6) . 3_657 ?
Cu1 Cu1 I1 110.76(6) 2_665 3_657 ?
Cu1 Cu1 I1 61.05(5) 4_567 3_657 ?
Cu1 Cu1 I1 61.05(5) 3_657 3_657 ?
I1 Cu1 I1 113.94(5) . 3_657 ?
N1 Cu1 I1 104.51(6) . 2_665 ?
Cu1 Cu1 I1 61.05(5) 2_665 2_665 ?
Cu1 Cu1 I1 61.05(5) 4_567 2_665 ?
Cu1 Cu1 I1 110.76(6) 3_657 2_665 ?
I1 Cu1 I1 113.94(5) . 2_665 ?
I1 Cu1 I1 113.94(5) 3_657 2_665 ?
O1W Co1 O1W 92.9(13) 9 5 ?
O1W Co1 O1W 92.9(13) 9 . ?
O1W Co1 O1W 92.9(13) 5 . ?
O1W Co1 O2 93.1(8) 9 . ?
O1W Co1 O2 93.1(8) 5 . ?
O1W Co1 O2 171.2(10) . . ?
O1W Co1 O2 171.2(10) 9 9 ?
O1W Co1 O2 93.1(8) 5 9 ?
O1W Co1 O2 93.1(8) . 9 ?
O2 Co1 O2 80.2(3) . 9 ?
O1W Co1 O2 93.1(8) 9 5 ?
O1W Co1 O2 171.2(10) 5 5 ?
O1W Co1 O2 93.1(8) . 5 ?
O2 Co1 O2 80.2(3) . 5 ?
O2 Co1 O2 80.3(3) 9 5 ?
O2 Co2 O2 91.8(5) . 35_566 ?
O2 Co2 O2 170.7(4) . 28_566 ?
O2 Co2 O2 87.5(5) 35_566 28_566 ?
O2 Co2 O2 87.5(5) . 9 ?
O2 Co2 O2 170.7(4) 35_566 9 ?
O2 Co2 O2 91.8(5) 28_566 9 ?
O2 Co2 O2W 94.67(18) . . ?
O2 Co2 O2W 94.67(18) 35_566 . ?
O2 Co2 O2W 94.67(18) 28_566 . ?
O2 Co2 O2W 94.67(18) 9 . ?
O2 Co2 O1 85.33(18) . . ?
O2 Co2 O1 85.33(18) 35_566 . ?
O2 Co2 O1 85.33(18) 28_566 . ?
O2 Co2 O1 85.33(18) 9 . ?
O2W Co2 O1 180.0 . . ?
Co2 O1 Co2 90.0 58_656 . ?
Co2 O1 Co2 90.000(1) 58_656 74_665 ?
Co2 O1 Co2 180.0 . 74_665 ?
Co2 O1 Co2 90.0 58_656 5 ?
Co2 O1 Co2 90.000(1) . 5 ?
Co2 O1 Co2 90.0 74_665 5 ?
Co2 O1 Co2 90.0 58_656 30_566 ?
Co2 O1 Co2 90.0 . 30_566 ?
Co2 O1 Co2 90.0 74_665 30_566 ?
Co2 O1 Co2 180.0 5 30_566 ?
Co2 O1 Co2 180.0 58_656 9 ?
Co2 O1 Co2 90.0 . 9 ?
Co2 O1 Co2 90.0 74_665 9 ?
Co2 O1 Co2 90.0 5 9 ?
Co2 O1 Co2 90.0 30_566 9 ?
C6 O2 Co2 118.7(4) . . ?
C6 O2 Co2 118.7(4) . 5 ?
Co2 O2 Co2 99.3(4) . 5 ?
C6 O2 Co1 123.8(7) . . ?
Co2 O2 Co1 95.4(3) . . ?
Co2 O2 Co1 95.4(3) 5 . ?
C3 N1 C3 91(3) 35_566 56_656 ?
C3 N1 C3 91(3) 35_566 . ?
C3 N1 C3 91(3) 56_656 . ?
C3 N1 C1 108(3) 35_566 56_656 ?
C3 N1 C1 47.8(10) 56_656 56_656 ?
C3 N1 C1 47.8(10) . 56_656 ?
C1 N1 C1 86(3) . 56_656 ?
C3 N1 C1 47.8(10) 35_566 35_566 ?
C3 N1 C1 47.8(10) 56_656 35_566 ?
C3 N1 C1 108(3) . 35_566 ?
C1 N1 C1 86(3) . 35_566 ?
C1 N1 C1 86(3) 56_656 35_566 ?
C3 N1 Cu1 124(2) 35_566 . ?
C3 N1 Cu1 124(2) 56_656 . ?
C3 N1 Cu1 124(2) . . ?
C1 N1 Cu1 128(2) . . ?
C1 N1 Cu1 128(2) 56_656 . ?
C1 N1 Cu1 128(2) 35_566 . ?
C2 C1 N1 131(5) . . ?
C2 C1 H1 114.3 . . ?
N1 C1 H1 114.3 . . ?
C1 C2 C5 120(4) . . ?
C1 C2 H2 119.9 . . ?
C5 C2 H2 119.9 . . ?
C4 C3 N1 124(4) . . ?
C4 C3 H3 118.1 . . ?
N1 C3 H3 118.1 . . ?
C3 C4 C5 129(4) . . ?
C3 C4 H4 115.7 . . ?
C5 C4 H4 115.7 . . ?
C2 C5 C2 92(2) 35_566 56_656 ?
C2 C5 C2 92(2) 35_566 . ?
C2 C5 C2 92(2) 56_656 . ?
C2 C5 C4 47.9(9) 35_566 35_566 ?
C2 C5 C4 108(3) 56_656 35_566 ?
C2 C5 C4 48.0(9) . 35_566 ?
C2 C5 C4 47.9(9) 35_566 56_656 ?
C2 C5 C4 47.9(9) 56_656 56_656 ?
C2 C5 C4 108(3) . 56_656 ?
C4 C5 C4 86(3) 35_566 56_656 ?
C4 C5 C4 86(3) 35_566 . ?
C4 C5 C4 86(3) 56_656 . ?
C2 C5 C7 123.8(18) 35_566 . ?
C2 C5 C7 123.8(18) 56_656 . ?
C2 C5 C7 123.8(18) . . ?
C4 C5 C7 128.0(18) 35_566 . ?
C4 C5 C7 128.0(18) 56_656 . ?
C4 C5 C7 128.0(18) . . ?
O2 C6 C7 111.7(13) . . ?
O2 C6 H6A 109.3 . . ?
C7 C6 H6A 109.3 . . ?
O2 C6 H6B 109.3 . . ?
C7 C6 H6B 109.3 . . ?
H6A C6 H6B 107.9 . . ?
C5 C7 C6 106.5(10) . . ?
C5 C7 C6 106.5(10) . 35_566 ?
C6 C7 C6 112.3(9) . 35_566 ?
C5 C7 C6 106.5(10) . 56_656 ?
C6 C7 C6 112.3(9) . 56_656 ?
C6 C7 C6 112.3(9) 35_566 56_656 ?

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
C1 N1 C1 C2 -43.3(13) 56_656 . . . ?
C1 N1 C1 C2 43.3(14) 35_566 . . . ?
Cu1 N1 C1 C2 180.000(8) . . . . ?
N1 C1 C2 C5 0.00(2) . . . . ?
C3 N1 C3 C4 45.7(14) 35_566 . . . ?
C3 N1 C3 C4 -45.7(14) 56_656 . . . ?
Cu1 N1 C3 C4 180.000(7) . . . . ?
N1 C3 C4 C5 0.000(8) . . . . ?
C1 C2 C5 C2 -46.1(13) . . . 35_566 ?
C1 C2 C5 C2 46.1(13) . . . 56_656 ?
C1 C2 C5 C7 180.000(13) . . . . ?
C3 C4 C5 C4 -43.2(12) . . . 35_566 ?
C3 C4 C5 C4 43.2(12) . . . 56_656 ?
C3 C4 C5 C7 180.000(6) . . . . ?
Co2 O2 C6 C7 -60.3(5) . . . . ?
Co2 O2 C6 C7 60.3(5) 5 . . . ?
Co1 O2 C6 C7 180.000(3) . . . . ?
C2 C5 C7 C6 -60.000(4) 35_566 . . . ?
C2 C5 C7 C6 180.000(2) 56_656 . . . ?
C2 C5 C7 C6 60.000(7) . . . . ?
C4 C5 C7 C6 0.000(4) 35_566 . . . ?
C4 C5 C7 C6 -120.000(4) 56_656 . . . ?
C4 C5 C7 C6 120.000(4) . . . . ?
C2 C5 C7 C6 60.000(6) 35_566 . . 35_566 ?
C2 C5 C7 C6 -60.000(5) 56_656 . . 35_566 ?
C2 C5 C7 C6 180.000(7) . . . 35_566 ?
C4 C5 C7 C6 120.000(2) 35_566 . . 35_566 ?
C4 C5 C7 C6 0.000(4) 56_656 . . 35_566 ?
C4 C5 C7 C6 -120.000(4) . . . 35_566 ?
C2 C5 C7 C6 180.000(4) 35_566 . . 56_656 ?
C2 C5 C7 C6 60.000(3) 56_656 . . 56_656 ?
C2 C5 C7 C6 -60.000(8) . . . 56_656 ?
C4 C5 C7 C6 -120.000(4) 35_566 . . 56_656 ?
C4 C5 C7 C6 120.000(5) 56_656 . . 56_656 ?
C4 C5 C7 C6 0.000(3) . . . 56_656 ?
O2 C6 C7 C5 180.000(2) . . . . ?
O2 C6 C7 C6 63.8(14) . . . 35_566 ?
O2 C6 C7 C6 -63.8(14) . . . 56_656 ?

_refine_diff_density_max         0.569
_refine_diff_density_min         -0.334
_refine_diff_density_rms         0.056

####################################################################### 
# 
# 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_d_sq
_database_code_depnum_ccdc_archive 'CCDC 2163338'
loop_
_audit_author_name
_audit_author_address
'Pengshuang '
;Fuzhou University
China
;
_audit_update_record             
;
2022-03-30 deposited with the CCDC.	2022-05-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C36 H40 Co10 Cu4 I4 N4 O31'
_chemical_formula_weight         2375.78

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'
Cu Cu 0.3201 1.2651 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      hexagonal
_space_group_IT_number           186
_space_group_name_H-M_alt        'P 63 m c'
_space_group_name_Hall           'P 6c -2c'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, z+1/2'
'y, -x+y, z+1/2'
'x-y, x, z+1/2'
'-y, -x, z'
'-x+y, y, z'
'x, x-y, z'
'y, x, z+1/2'
'x-y, -y, z+1/2'
'-x, -x+y, z+1/2'

_cell_length_a                   19.6109(12)
_cell_length_b                   19.6109(12)
_cell_length_c                   31.970(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     10647.9(18)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9933
_cell_measurement_theta_min      2.4925
_cell_measurement_theta_max      20.2925

_exptl_crystal_description       piece
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    0.741
_exptl_crystal_F_000             2260
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_absorpt_coefficient_mu    1.752
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  0.6055
_exptl_absorpt_correction_T_max  0.7449
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            48672
_diffrn_reflns_av_unetI/netI     0.0351
_diffrn_reflns_av_R_equivalents  0.0475
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_theta_min         2.482
_diffrn_reflns_theta_max         25.058
_diffrn_reflns_theta_full        25.058
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             6867
_reflns_number_gt                4655
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.961
_reflns_Friedel_fraction_max     0.997
_reflns_Friedel_fraction_full    0.997

_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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          
;
 Refined as a 2-component perfect inversion twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1144P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Refined as a perfect inversion twin.
;
_refine_ls_abs_structure_Flack   0.5
_chemical_absolute_configuration ?
_refine_ls_number_reflns         6867
_refine_ls_number_parameters     193
_refine_ls_number_restraints     306
_refine_ls_R_factor_all          0.0764
_refine_ls_R_factor_gt           0.0543
_refine_ls_wR_factor_ref         0.1645
_refine_ls_wR_factor_gt          0.1474
_refine_ls_goodness_of_fit_ref   0.950
_refine_ls_restrained_S_all      0.960
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000

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
Cu1 Cu 0.62301(5) 0.37699(5) 0.60933(7) 0.1165(6) Uani 1 2 d S T P . .
Cu2 Cu 0.666667 0.333333 0.67468(9) 0.1104(9) Uani 1 6 d S T P . .
I1 I 0.666667 0.333333 0.53900(5) 0.1161(5) Uani 1 6 d S T P . .
I2 I 0.74341(2) 0.48681(5) 0.65424(4) 0.1167(4) Uani 1 2 d S T P . .
Co1 Co 0.28109(4) 0.56218(9) 0.53996(6) 0.0862(4) Uani 1 2 d S T P . .
Co2 Co 0.38520(5) 0.61480(5) 0.46209(6) 0.0942(5) Uani 1 2 d S T P . .
Co3 Co 0.333333 0.666667 0.61973(16) 0.1563(16) Uani 1 6 d S T P . .
Co4 Co 0.22819(10) 0.4564(2) 0.46087(11) 0.1722(11) Uani 1 2 d DS T P . .
O1 O 0.3793(2) 0.6207(2) 0.5714(3) 0.100(2) Uani 1 2 d S TU P . .
O2 O 0.2846(3) 0.5692(5) 0.4314(3) 0.100(2) Uani 1 2 d S TU P . .
O3 O 0.2331(4) 0.4663(9) 0.5772(5) 0.163(5) Uani 1 2 d S TU P . .
O4 O 0.333333 0.666667 0.5008(7) 0.145(6) Uani 1 6 d S TU P . .
O5 O 0.3318(3) 0.5249(3) 0.4998(2) 0.0946(15) Uani 1 1 d D U . . .
N1 N 0.5714(3) 0.4286(3) 0.5889(4) 0.148(4) Uani 1 2 d DS TU P . .
N2 N 0.333333 0.666667 0.2358(5) 0.122(5) Uani 1 6 d DS TU P . .
C1 C 0.3744(6) 0.4923(6) 0.5171(3) 0.101(2) Uani 1 1 d . U . . .
H1A H 0.392351 0.471807 0.494611 0.122 Uiso 1 1 calc R U . . .
H1B H 0.339513 0.448271 0.534700 0.122 Uiso 1 1 calc R U . . .
C2 C 0.4875(3) 0.5125(3) 0.5588(4) 0.117(3) Uani 1 2 d DS TU P . .
C3 C 0.333333 0.666667 0.3730(8) 0.113(5) Uani 1 6 d DS TU P . .
C4 C 0.2907(4) 0.5814(8) 0.3873(4) 0.111(3) Uani 1 2 d DS TU P . .
H4A H 0.237960 0.555651 0.375665 0.133 Uiso 0.5 1 calc R U P . .
H4B H 0.317692 0.555652 0.375665 0.133 Uiso 0.5 1 calc R U P . .
C5 C 0.333333 0.666667 0.3302(6) 0.120(5) Uani 1 6 d DS TU P . .
C6 C 0.2942(3) 0.5885(7) 0.2584(6) 0.122(6) Uani 0.3333 2 d DS TU P . .
H6 H 0.266872 0.533760 0.258547 0.146 Uiso 0.3333 2 d R U P . .
C7 C 0.5206(4) 0.4794(4) 0.5267(4) 0.170(5) Uani 1 2 d DS TU P . .
H7 H 0.515009 0.484991 0.498196 0.204 Uiso 1 2 calc R U P . .
C8 C 0.4481(3) 0.5519(3) 0.5439(5) 0.100(3) Uani 1 2 d S TU P . .
C9 C 0.4193(3) 0.5807(3) 0.5804(4) 0.094(3) Uani 1 2 d S TU P . .
H9A H 0.385024 0.535382 0.597445 0.113 Uiso 0.5 1 calc R U P . .
H9B H 0.464618 0.614976 0.597446 0.113 Uiso 0.5 1 calc R U P . .
C10 C 0.5640(4) 0.4360(4) 0.5426(5) 0.189(6) Uani 1 2 d DS TU P . .
H10 H 0.584903 0.415097 0.523751 0.227 Uiso 1 2 calc R U P . .
C11 C 0.5390(5) 0.4610(5) 0.6201(4) 0.192(6) Uani 1 2 d DS TU P . .
H11 H 0.544847 0.455153 0.648480 0.230 Uiso 1 2 calc R U P . .
C12 C 0.4959(4) 0.5041(4) 0.6058(4) 0.172(5) Uani 1 2 d DS TU P . .
H12 H 0.475417 0.524583 0.625160 0.206 Uiso 1 2 calc R U P . .
C13 C 0.3721(3) 0.7442(7) 0.3066(6) 0.119(6) Uani 0.3333 2 d DS TU P . .
H13 H 0.399448 0.798900 0.306472 0.143 Uiso 0.3333 2 d R U P . .
C14 C 0.3715(3) 0.7429(7) 0.2583(6) 0.117(6) Uani 0.3333 2 d DS TU P . .
H14 H 0.398864 0.797740 0.258232 0.140 Uiso 0.3333 2 d R U P . .
C15 C 0.2939(3) 0.5877(7) 0.3067(6) 0.125(6) Uani 0.3333 2 d DS TU P . .
H15 H 0.266498 0.533000 0.306783 0.150 Uiso 0.3333 2 d R U P . .
O1W O 0.1793(6) 0.3587(13) 0.5077(7) 0.247(9) Uani 1 2 d S TU P . .
O2W O 0.4346(4) 0.5654(4) 0.4246(4) 0.158(4) Uani 1 2 d S TU P . .
O3W O 0.4532(15) 0.7266(8) 0.6500(9) 0.225(8) Uani 1 2 d S TU P . .
O4W O 0.1221(8) 0.4254(8) 0.4215(4) 0.210(5) Uani 1 1 d . 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
Cu1 N1 1.871(11) . ?
Cu1 Cu2 2.562(3) . ?
Cu1 Cu1 2.568(3) 2_655 ?
Cu1 Cu1 2.568(3) 3_665 ?
Cu1 I2 2.6813(14) . ?
Cu1 I2 2.6813(14) 2_655 ?
Cu1 I1 2.693(3) . ?
Cu2 N2 1.955(18) 4_665 ?
Cu2 I2 2.6871(11) 3_665 ?
Cu2 I2 2.6871(11) 2_655 ?
Cu2 I2 2.6872(11) . ?
Co1 O1 1.957(6) 3_565 ?
Co1 O1 1.957(6) . ?
Co1 O5 1.976(6) 8 ?
Co1 O5 1.976(6) . ?
Co1 O3 2.018(13) . ?
Co1 O4 2.171(13) . ?
Co2 O5 1.952(7) . ?
Co2 O5 1.952(7) 7_665 ?
Co2 O2 1.972(5) . ?
Co2 O2 1.972(5) 2_665 ?
Co2 O2W 2.062(13) . ?
Co2 O4 2.154(13) . ?
Co3 O1 2.197(10) 3_565 ?
Co3 O1 2.197(10) 2_665 ?
Co3 O1 2.196(10) . ?
Co3 O3W 2.25(2) 2_665 ?
Co3 O3W 2.25(2) 3_565 ?
Co3 O3W 2.25(2) . ?
Co4 O2 2.135(10) . ?
Co4 O5 2.179(7) 8 ?
Co4 O5 2.180(7) . ?
Co4 O1W 2.234(19) . ?
Co4 O4W 2.240(14) 8 ?
Co4 O4W 2.240(14) . ?
O1 C9 1.387(14) . ?
O2 C4 1.426(16) . ?
O5 C1 1.395(11) . ?
N1 C11 1.486(11) . ?
N1 C10 1.501(11) . ?
N2 C14 1.482(12) . ?
N2 C14 1.482(12) 2_665 ?
N2 C14 1.482(12) 3_565 ?
N2 C6 1.512(12) 3_565 ?
N2 C6 1.512(12) 2_665 ?
N2 C6 1.512(12) . ?
C1 C8 1.581(12) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C2 C8 1.420(16) . ?
C2 C7 1.521(11) . ?
C2 C12 1.531(11) . ?
C3 C5 1.37(3) . ?
C3 C4 1.519(15) 3_565 ?
C3 C4 1.519(15) . ?
C3 C4 1.519(15) 2_665 ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 C13 1.517(12) . ?
C5 C13 1.517(12) 2_665 ?
C5 C13 1.517(12) 3_565 ?
C5 C15 1.536(12) 3_565 ?
C5 C15 1.536(12) . ?
C5 C15 1.536(12) 2_665 ?
C6 C14 1.312(6) 3_565 ?
C6 C14 1.312(6) 2_665 ?
C6 C15 1.543(12) . ?
C6 C13 2.029(14) 3_565 ?
C6 C13 2.029(14) 2_665 ?
C6 H6 0.9294 . ?
C7 C10 1.561(11) . ?
C7 H7 0.9300 . ?
C8 C9 1.525(19) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 H10 0.9300 . ?
C11 C12 1.533(12) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C15 1.328(6) 2_665 ?
C13 C15 1.328(6) 3_565 ?
C13 C14 1.542(12) . ?
C13 H13 0.9297 . ?
C14 C15 2.032(14) 2_665 ?
C14 C15 2.032(14) 3_565 ?
C14 H14 0.9309 . ?
C15 H15 0.9296 . ?

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 Cu2 145.8(5) . . ?
N1 Cu1 Cu1 144.2(2) . 2_655 ?
Cu2 Cu1 Cu1 59.92(5) . 2_655 ?
N1 Cu1 Cu1 144.2(2) . 3_665 ?
Cu2 Cu1 Cu1 59.92(5) . 3_665 ?
Cu1 Cu1 Cu1 60.0 2_655 3_665 ?
N1 Cu1 I2 104.5(2) . . ?
Cu2 Cu1 I2 61.61(5) . . ?
Cu1 Cu1 I2 111.28(4) 2_655 . ?
Cu1 Cu1 I2 61.38(4) 3_665 . ?
N1 Cu1 I2 104.5(2) . 2_655 ?
Cu2 Cu1 I2 61.61(5) . 2_655 ?
Cu1 Cu1 I2 61.39(4) 2_655 2_655 ?
Cu1 Cu1 I2 111.28(4) 3_665 2_655 ?
I2 Cu1 I2 114.68(9) . 2_655 ?
N1 Cu1 I1 102.9(5) . . ?
Cu2 Cu1 I1 111.23(7) . . ?
Cu1 Cu1 I1 61.52(3) 2_655 . ?
Cu1 Cu1 I1 61.52(3) 3_665 . ?
I2 Cu1 I1 114.22(5) . . ?
I2 Cu1 I1 114.22(5) 2_655 . ?
N2 Cu2 Cu1 144.63(6) 4_665 2_655 ?
N2 Cu2 Cu1 144.63(6) 4_665 3_665 ?
Cu1 Cu2 Cu1 60.17(10) 2_655 3_665 ?
N2 Cu2 Cu1 144.64(6) 4_665 . ?
Cu1 Cu2 Cu1 60.17(10) 2_655 . ?
Cu1 Cu2 Cu1 60.17(10) 3_665 . ?
N2 Cu2 I2 104.07(6) 4_665 3_665 ?
Cu1 Cu2 I2 61.38(4) 2_655 3_665 ?
Cu1 Cu2 I2 61.38(4) 3_665 3_665 ?
Cu1 Cu2 I2 111.30(11) . 3_665 ?
N2 Cu2 I2 104.07(6) 4_665 2_655 ?
Cu1 Cu2 I2 61.38(4) 2_655 2_655 ?
Cu1 Cu2 I2 111.30(11) 3_665 2_655 ?
Cu1 Cu2 I2 61.38(4) . 2_655 ?
I2 Cu2 I2 114.29(5) 3_665 2_655 ?
N2 Cu2 I2 104.07(6) 4_665 . ?
Cu1 Cu2 I2 111.30(11) 2_655 . ?
Cu1 Cu2 I2 61.38(4) 3_665 . ?
Cu1 Cu2 I2 61.38(4) . . ?
I2 Cu2 I2 114.29(5) 3_665 . ?
I2 Cu2 I2 114.29(5) 2_655 . ?
Cu1 I1 Cu1 56.95(7) 3_665 2_655 ?
Cu1 I1 Cu1 56.95(7) 3_665 . ?
Cu1 I1 Cu1 56.95(7) 2_655 . ?
Cu1 I2 Cu1 57.23(8) . 3_665 ?
Cu1 I2 Cu2 57.01(6) . . ?
Cu1 I2 Cu2 57.01(6) 3_665 . ?
O1 Co1 O1 87.5(5) 3_565 . ?
O1 Co1 O5 91.2(3) 3_565 8 ?
O1 Co1 O5 166.7(3) . 8 ?
O1 Co1 O5 166.7(3) 3_565 . ?
O1 Co1 O5 91.2(3) . . ?
O5 Co1 O5 87.0(4) 8 . ?
O1 Co1 O3 96.1(5) 3_565 . ?
O1 Co1 O3 96.1(5) . . ?
O5 Co1 O3 97.2(4) 8 . ?
O5 Co1 O3 97.2(4) . . ?
O1 Co1 O4 83.2(4) 3_565 . ?
O1 Co1 O4 83.2(4) . . ?
O5 Co1 O4 83.5(4) 8 . ?
O5 Co1 O4 83.5(4) . . ?
O3 Co1 O4 179.0(8) . . ?
O5 Co2 O5 92.1(4) . 7_665 ?
O5 Co2 O2 86.2(3) . . ?
O5 Co2 O2 168.7(3) 7_665 . ?
O5 Co2 O2 168.7(3) . 2_665 ?
O5 Co2 O2 86.2(3) 7_665 2_665 ?
O2 Co2 O2 93.2(5) . 2_665 ?
O5 Co2 O2W 95.7(3) . . ?
O5 Co2 O2W 95.7(3) 7_665 . ?
O2 Co2 O2W 95.6(3) . . ?
O2 Co2 O2W 95.6(3) 2_665 . ?
O5 Co2 O4 84.6(4) . . ?
O5 Co2 O4 84.6(4) 7_665 . ?
O2 Co2 O4 84.2(4) . . ?
O2 Co2 O4 84.2(4) 2_665 . ?
O2W Co2 O4 179.6(6) . . ?
O1 Co3 O1 76.0(4) 3_565 2_665 ?
O1 Co3 O1 76.0(4) 3_565 . ?
O1 Co3 O1 76.0(4) 2_665 . ?
O1 Co3 O3W 88.9(6) 3_565 2_665 ?
O1 Co3 O3W 88.9(6) 2_665 2_665 ?
O1 Co3 O3W 160.7(8) . 2_665 ?
O1 Co3 O3W 88.9(6) 3_565 3_565 ?
O1 Co3 O3W 160.7(8) 2_665 3_565 ?
O1 Co3 O3W 88.9(6) . 3_565 ?
O3W Co3 O3W 103.0(9) 2_665 3_565 ?
O1 Co3 O3W 160.7(8) 3_565 . ?
O1 Co3 O3W 88.9(6) 2_665 . ?
O1 Co3 O3W 88.9(6) . . ?
O3W Co3 O3W 103.0(9) 2_665 . ?
O3W Co3 O3W 103.0(9) 3_565 . ?
O2 Co4 O5 76.8(3) . 8 ?
O2 Co4 O5 76.8(3) . . ?
O5 Co4 O5 77.3(3) 8 . ?
O2 Co4 O1W 164.1(7) . . ?
O5 Co4 O1W 90.8(6) 8 . ?
O5 Co4 O1W 90.8(6) . . ?
O2 Co4 O4W 87.9(4) . 8 ?
O5 Co4 O4W 160.2(4) 8 8 ?
O5 Co4 O4W 87.2(4) . 8 ?
O1W Co4 O4W 101.6(6) . 8 ?
O2 Co4 O4W 87.9(4) . . ?
O5 Co4 O4W 87.2(4) 8 . ?
O5 Co4 O4W 160.2(4) . . ?
O1W Co4 O4W 101.6(6) . . ?
O4W Co4 O4W 105.0(7) 8 . ?
C9 O1 Co1 116.3(4) . 2_665 ?
C9 O1 Co1 116.3(4) . . ?
Co1 O1 Co1 103.5(4) 2_665 . ?
C9 O1 Co3 123.4(8) . . ?
Co1 O1 Co3 96.7(3) 2_665 . ?
Co1 O1 Co3 96.7(3) . . ?
C4 O2 Co2 115.8(5) . . ?
C4 O2 Co2 115.8(5) . 3_565 ?
Co2 O2 Co2 101.4(4) . 3_565 ?
C4 O2 Co4 124.5(8) . . ?
Co2 O2 Co4 97.7(3) . . ?
Co2 O2 Co4 97.7(3) 3_565 . ?
Co2 O4 Co2 90.2(7) 3_565 2_665 ?
Co2 O4 Co2 90.2(7) 3_565 . ?
Co2 O4 Co2 90.2(7) 2_665 . ?
Co2 O4 Co1 89.83(5) 3_565 3_565 ?
Co2 O4 Co1 89.83(5) 2_665 3_565 ?
Co2 O4 Co1 179.9(10) . 3_565 ?
Co2 O4 Co1 89.83(5) 3_565 . ?
Co2 O4 Co1 179.9(10) 2_665 . ?
Co2 O4 Co1 89.83(5) . . ?
Co1 O4 Co1 90.1(7) 3_565 . ?
Co2 O4 Co1 179.9(10) 3_565 2_665 ?
Co2 O4 Co1 89.83(5) 2_665 2_665 ?
Co2 O4 Co1 89.83(5) . 2_665 ?
Co1 O4 Co1 90.1(7) 3_565 2_665 ?
Co1 O4 Co1 90.1(7) . 2_665 ?
C1 O5 Co2 119.0(6) . . ?
C1 O5 Co1 116.1(6) . . ?
Co2 O5 Co1 102.0(3) . . ?
C1 O5 Co4 122.1(5) . . ?
Co2 O5 Co4 96.8(3) . . ?
Co1 O5 Co4 96.4(2) . . ?
C11 N1 C10 122.5(8) . . ?
C11 N1 Cu1 117.4(9) . . ?
C10 N1 Cu1 120.1(9) . . ?
C14 N2 C14 98.4(7) . 2_665 ?
C14 N2 C14 98.4(7) . 3_565 ?
C14 N2 C14 98.4(7) 2_665 3_565 ?
C14 N2 C6 52.0(2) . 3_565 ?
C14 N2 C6 52.0(2) 2_665 3_565 ?
C14 N2 C6 122.4(9) 3_565 3_565 ?
C14 N2 C6 52.0(2) . 2_665 ?
C14 N2 C6 122.4(9) 2_665 2_665 ?
C14 N2 C6 52.0(2) 3_565 2_665 ?
C6 N2 C6 99.0(7) 3_565 2_665 ?
C14 N2 C6 122.4(9) . . ?
C14 N2 C6 52.0(2) 2_665 . ?
C14 N2 C6 52.0(2) 3_565 . ?
C6 N2 C6 99.0(7) 3_565 . ?
C6 N2 C6 99.0(7) 2_665 . ?
C14 N2 Cu2 119.1(6) . 4_664 ?
C14 N2 Cu2 119.1(6) 2_665 4_664 ?
C14 N2 Cu2 119.1(6) 3_565 4_664 ?
C6 N2 Cu2 118.6(6) 3_565 4_664 ?
C6 N2 Cu2 118.6(6) 2_665 4_664 ?
C6 N2 Cu2 118.6(6) . 4_664 ?
O5 C1 C8 114.3(8) . . ?
O5 C1 H1A 108.7 . . ?
C8 C1 H1A 108.7 . . ?
O5 C1 H1B 108.7 . . ?
C8 C1 H1B 108.7 . . ?
H1A C1 H1B 107.6 . . ?
C8 C2 C7 118.0(11) . . ?
C8 C2 C12 120.3(11) . . ?
C7 C2 C12 121.8(8) . . ?
C5 C3 C4 107.5(11) . 3_565 ?
C5 C3 C4 107.5(11) . . ?
C4 C3 C4 111.3(10) 3_565 . ?
C5 C3 C4 107.5(11) . 2_665 ?
C4 C3 C4 111.3(10) 3_565 2_665 ?
C4 C3 C4 111.3(10) . 2_665 ?
O2 C4 C3 115.9(14) . . ?
O2 C4 H4A 108.3 . . ?
C3 C4 H4A 108.3 . . ?
O2 C4 H4B 108.3 . . ?
C3 C4 H4B 108.3 . . ?
H4A C4 H4B 107.4 . . ?
C3 C5 C13 119.8(6) . . ?
C3 C5 C13 119.8(6) . 2_665 ?
C13 C5 C13 97.4(7) . 2_665 ?
C3 C5 C13 119.8(6) . 3_565 ?
C13 C5 C13 97.4(7) . 3_565 ?
C13 C5 C13 97.4(7) 2_665 3_565 ?
C3 C5 C15 119.2(6) . 3_565 ?
C13 C5 C15 51.6(2) . 3_565 ?
C13 C5 C15 51.6(2) 2_665 3_565 ?
C13 C5 C15 121.0(9) 3_565 3_565 ?
C3 C5 C15 119.2(6) . . ?
C13 C5 C15 121.0(9) . . ?
C13 C5 C15 51.6(2) 2_665 . ?
C13 C5 C15 51.6(2) 3_565 . ?
C15 C5 C15 98.2(7) 3_565 . ?
C3 C5 C15 119.2(6) . 2_665 ?
C13 C5 C15 51.6(2) . 2_665 ?
C13 C5 C15 121.0(9) 2_665 2_665 ?
C13 C5 C15 51.6(2) 3_565 2_665 ?
C15 C5 C15 98.2(7) 3_565 2_665 ?
C15 C5 C15 98.2(7) . 2_665 ?
C14 C6 C14 117.5(15) 3_565 2_665 ?
C14 C6 N2 62.8(8) 3_565 . ?
C14 C6 N2 62.8(8) 2_665 . ?
C14 C6 C15 90.4(8) 3_565 . ?
C14 C6 C15 90.4(8) 2_665 . ?
N2 C6 C15 119.0(9) . . ?
C14 C6 C13 49.5(6) 3_565 3_565 ?
C14 C6 C13 108.1(10) 2_665 3_565 ?
N2 C6 C13 94.2(6) . 3_565 ?
C15 C6 C13 40.9(4) . 3_565 ?
C14 C6 C13 108.1(10) 3_565 2_665 ?
C14 C6 C13 49.5(6) 2_665 2_665 ?
N2 C6 C13 94.2(6) . 2_665 ?
C15 C6 C13 40.9(4) . 2_665 ?
C13 C6 C13 68.4(7) 3_565 2_665 ?
C14 C6 H6 121.2 3_565 . ?
C14 C6 H6 121.2 2_665 . ?
N2 C6 H6 151.7 . . ?
C15 C6 H6 89.3 . . ?
C13 C6 H6 109.1 3_565 . ?
C13 C6 H6 109.1 2_665 . ?
C2 C7 C10 118.6(8) . . ?
C2 C7 H7 120.7 . . ?
C10 C7 H7 120.7 . . ?
C2 C8 C9 110.4(11) . . ?
C2 C8 C1 108.9(7) . . ?
C9 C8 C1 108.5(7) . . ?
C2 C8 C1 108.9(7) . 7_665 ?
C9 C8 C1 108.5(7) . 7_665 ?
C1 C8 C1 111.5(11) . 7_665 ?
O1 C9 C8 118.0(11) . . ?
O1 C9 H9A 107.8 . . ?
C8 C9 H9A 107.8 . . ?
O1 C9 H9B 107.8 . . ?
C8 C9 H9B 107.8 . . ?
H9A C9 H9B 107.1 . . ?
N1 C10 C7 118.6(9) . . ?
N1 C10 H10 120.7 . . ?
C7 C10 H10 120.7 . . ?
N1 C11 C12 120.6(9) . . ?
N1 C11 H11 119.7 . . ?
C12 C11 H11 119.7 . . ?
C2 C12 C11 118.0(8) . . ?
C2 C12 H12 121.0 . . ?
C11 C12 H12 121.0 . . ?
C15 C13 C15 121.8(15) 2_665 3_565 ?
C15 C13 C5 64.9(8) 2_665 . ?
C15 C13 C5 64.9(8) 3_565 . ?
C15 C13 C14 89.8(8) 2_665 . ?
C15 C13 C14 89.8(8) 3_565 . ?
C5 C13 C14 119.0(9) . . ?
C15 C13 C6 49.5(6) 2_665 2_665 ?
C15 C13 C6 110.0(10) 3_565 2_665 ?
C5 C13 C6 95.6(6) . 2_665 ?
C14 C13 C6 40.3(4) . 2_665 ?
C15 C13 C6 110.0(10) 2_665 3_565 ?
C15 C13 C6 49.5(6) 3_565 3_565 ?
C5 C13 C6 95.6(6) . 3_565 ?
C14 C13 C6 40.3(4) . 3_565 ?
C6 C13 C6 69.1(7) 2_665 3_565 ?
C15 C13 H13 119.1 2_665 . ?
C15 C13 H13 119.1 3_565 . ?
C5 C13 H13 150.4 . . ?
C14 C13 H13 90.6 . . ?
C6 C13 H13 108.6 2_665 . ?
C6 C13 H13 108.6 3_565 . ?
C6 C14 C6 122.5(15) 2_665 3_565 ?
C6 C14 N2 65.2(8) 2_665 . ?
C6 C14 N2 65.2(8) 3_565 . ?
C6 C14 C13 90.2(8) 2_665 . ?
C6 C14 C13 90.2(8) 3_565 . ?
N2 C14 C13 119.8(9) . . ?
C6 C14 C15 49.4(6) 2_665 2_665 ?
C6 C14 C15 110.6(10) 3_565 2_665 ?
N2 C14 C15 95.8(6) . 2_665 ?
C13 C14 C15 40.8(4) . 2_665 ?
C6 C14 C15 110.6(10) 2_665 3_565 ?
C6 C14 C15 49.4(6) 3_565 3_565 ?
N2 C14 C15 95.8(6) . 3_565 ?
C13 C14 C15 40.8(4) . 3_565 ?
C15 C14 C15 69.7(7) 2_665 3_565 ?
C6 C14 H14 118.8 2_665 . ?
C6 C14 H14 118.8 3_565 . ?
N2 C14 H14 150.7 . . ?
C13 C14 H14 89.4 . . ?
C15 C14 H14 108.1 2_665 . ?
C15 C14 H14 108.1 3_565 . ?
C13 C15 C13 118.2(15) 3_565 2_665 ?
C13 C15 C5 63.5(8) 3_565 . ?
C13 C15 C5 63.5(8) 2_665 . ?
C13 C15 C6 89.6(8) 3_565 . ?
C13 C15 C6 89.6(8) 2_665 . ?
C5 C15 C6 118.7(9) . . ?
C13 C15 C14 49.4(6) 3_565 3_565 ?
C13 C15 C14 107.2(10) 2_665 3_565 ?
C5 C15 C14 94.2(6) . 3_565 ?
C6 C15 C14 40.2(4) . 3_565 ?
C13 C15 C14 107.2(10) 3_565 2_665 ?
C13 C15 C14 49.4(6) 2_665 2_665 ?
C5 C15 C14 94.2(6) . 2_665 ?
C6 C15 C14 40.2(4) . 2_665 ?
C14 C15 C14 67.0(7) 3_565 2_665 ?
C13 C15 H15 120.9 3_565 . ?
C13 C15 H15 120.9 2_665 . ?
C5 C15 H15 150.7 . . ?
C6 C15 H15 90.6 . . ?
C14 C15 H15 110.1 3_565 . ?
C14 C15 H15 110.0 2_665 . ?

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
Cu2 Cu1 N1 C11 0.000(4) . . . . ?
Cu1 Cu1 N1 C11 121.2(5) 2_655 . . . ?
Cu1 Cu1 N1 C11 -121.2(5) 3_665 . . . ?
I2 Cu1 N1 C11 -60.40(12) . . . . ?
I2 Cu1 N1 C11 60.40(12) 2_655 . . . ?
I1 Cu1 N1 C11 180.000(3) . . . . ?
Cu2 Cu1 N1 C10 180.000(4) . . . . ?
Cu1 Cu1 N1 C10 -58.8(5) 2_655 . . . ?
Cu1 Cu1 N1 C10 58.8(5) 3_665 . . . ?
I2 Cu1 N1 C10 119.60(11) . . . . ?
I2 Cu1 N1 C10 -119.60(12) 2_655 . . . ?
I1 Cu1 N1 C10 0.000(3) . . . . ?
Co2 O5 C1 C8 58.8(10) . . . . ?
Co1 O5 C1 C8 -63.6(10) . . . . ?
Co4 O5 C1 C8 179.4(7) . . . . ?
Co2 O2 C4 C3 -59.3(5) . . . . ?
Co2 O2 C4 C3 59.3(5) 3_565 . . . ?
Co4 O2 C4 C3 180.000(4) . . . . ?
C5 C3 C4 O2 180.000(4) . . . . ?
C4 C3 C4 O2 -62.4(14) 3_565 . . . ?
C4 C3 C4 O2 62.4(14) 2_665 . . . ?
C4 C3 C5 C13 59.999(4) 3_565 . . . ?
C4 C3 C5 C13 180.000(4) . . . . ?
C4 C3 C5 C13 -60.001(3) 2_665 . . . ?
C4 C3 C5 C13 -60.002(4) 3_565 . . 2_665 ?
C4 C3 C5 C13 59.999(3) . . . 2_665 ?
C4 C3 C5 C13 179.998(2) 2_665 . . 2_665 ?
C4 C3 C5 C13 179.998(5) 3_565 . . 3_565 ?
C4 C3 C5 C13 -60.001(3) . . . 3_565 ?
C4 C3 C5 C13 59.998(3) 2_665 . . 3_565 ?
C4 C3 C5 C15 -0.001(4) 3_565 . . 3_565 ?
C4 C3 C5 C15 120.000(4) . . . 3_565 ?
C4 C3 C5 C15 -120.001(3) 2_665 . . 3_565 ?
C4 C3 C5 C15 -120.001(4) 3_565 . . . ?
C4 C3 C5 C15 0.000(3) . . . . ?
C4 C3 C5 C15 119.999(2) 2_665 . . . ?
C4 C3 C5 C15 119.999(4) 3_565 . . 2_665 ?
C4 C3 C5 C15 -120.000(3) . . . 2_665 ?
C4 C3 C5 C15 -0.001(2) 2_665 . . 2_665 ?
C14 N2 C6 C14 -74.0(7) . . . 3_565 ?
C14 N2 C6 C14 -147.9(14) 2_665 . . 3_565 ?
C6 N2 C6 C14 -124.3(7) 3_565 . . 3_565 ?
C6 N2 C6 C14 -23.6(10) 2_665 . . 3_565 ?
Cu2 N2 C6 C14 106.0(7) 4_664 . . 3_565 ?
C14 N2 C6 C14 74.0(7) . . . 2_665 ?
C14 N2 C6 C14 147.9(14) 3_565 . . 2_665 ?
C6 N2 C6 C14 23.6(10) 3_565 . . 2_665 ?
C6 N2 C6 C14 124.3(7) 2_665 . . 2_665 ?
Cu2 N2 C6 C14 -106.0(7) 4_664 . . 2_665 ?
C14 N2 C6 C15 0.000(3) . . . . ?
C14 N2 C6 C15 -74.0(7) 2_665 . . . ?
C14 N2 C6 C15 74.0(7) 3_565 . . . ?
C6 N2 C6 C15 -50.4(5) 3_565 . . . ?
C6 N2 C6 C15 50.4(5) 2_665 . . . ?
Cu2 N2 C6 C15 180.002(3) 4_664 . . . ?
C14 N2 C6 C13 -34.3(4) . . . 3_565 ?
C14 N2 C6 C13 -108.2(9) 2_665 . . 3_565 ?
C14 N2 C6 C13 39.7(6) 3_565 . . 3_565 ?
C6 N2 C6 C13 -84.7(5) 3_565 . . 3_565 ?
C6 N2 C6 C13 16.1(8) 2_665 . . 3_565 ?
Cu2 N2 C6 C13 145.7(4) 4_664 . . 3_565 ?
C14 N2 C6 C13 34.3(4) . . . 2_665 ?
C14 N2 C6 C13 -39.7(6) 2_665 . . 2_665 ?
C14 N2 C6 C13 108.2(9) 3_565 . . 2_665 ?
C6 N2 C6 C13 -16.1(8) 3_565 . . 2_665 ?
C6 N2 C6 C13 84.7(5) 2_665 . . 2_665 ?
Cu2 N2 C6 C13 -145.7(4) 4_664 . . 2_665 ?
C8 C2 C7 C10 180.000(4) . . . . ?
C12 C2 C7 C10 0.000(5) . . . . ?
C7 C2 C8 C9 180.000(4) . . . . ?
C12 C2 C8 C9 0.000(5) . . . . ?
C7 C2 C8 C1 60.9(8) . . . . ?
C12 C2 C8 C1 -119.1(8) . . . . ?
C7 C2 C8 C1 -60.9(8) . . . 7_665 ?
C12 C2 C8 C1 119.1(8) . . . 7_665 ?
O5 C1 C8 C2 -178.5(9) . . . . ?
O5 C1 C8 C9 61.3(11) . . . . ?
O5 C1 C8 C1 -58.2(13) . . . 7_665 ?
Co1 O1 C9 C8 -61.2(5) 2_665 . . . ?
Co1 O1 C9 C8 61.2(5) . . . . ?
Co3 O1 C9 C8 180.000(3) . . . . ?
C2 C8 C9 O1 180.000(4) . . . . ?
C1 C8 C9 O1 -60.7(7) . . . . ?
C1 C8 C9 O1 60.7(7) 7_665 . . . ?
C11 N1 C10 C7 0.000(5) . . . . ?
Cu1 N1 C10 C7 180.000(2) . . . . ?
C2 C7 C10 N1 0.000(5) . . . . ?
C10 N1 C11 C12 0.000(6) . . . . ?
Cu1 N1 C11 C12 180.000(5) . . . . ?
C8 C2 C12 C11 180.000(4) . . . . ?
C7 C2 C12 C11 0.000(7) . . . . ?
N1 C11 C12 C2 0.000(5) . . . . ?
C3 C5 C13 C15 105.3(7) . . . 2_665 ?
C13 C5 C13 C15 -124.0(7) 2_665 . . 2_665 ?
C13 C5 C13 C15 -25.5(10) 3_565 . . 2_665 ?
C15 C5 C13 C15 -149.4(14) 3_565 . . 2_665 ?
C15 C5 C13 C15 -74.7(7) . . . 2_665 ?
C3 C5 C13 C15 -105.3(7) . . . 3_565 ?
C13 C5 C13 C15 25.5(9) 2_665 . . 3_565 ?
C13 C5 C13 C15 124.0(7) 3_565 . . 3_565 ?
C15 C5 C13 C15 74.7(7) . . . 3_565 ?
C15 C5 C13 C15 149.4(14) 2_665 . . 3_565 ?
C3 C5 C13 C14 180.000(2) . . . . ?
C13 C5 C13 C14 -49.3(5) 2_665 . . . ?
C13 C5 C13 C14 49.3(5) 3_565 . . . ?
C15 C5 C13 C14 -74.7(7) 3_565 . . . ?
C15 C5 C13 C14 0.000(4) . . . . ?
C15 C5 C13 C14 74.7(7) 2_665 . . . ?
C3 C5 C13 C6 145.3(4) . . . 2_665 ?
C13 C5 C13 C6 -84.0(5) 2_665 . . 2_665 ?
C13 C5 C13 C6 14.6(7) 3_565 . . 2_665 ?
C15 C5 C13 C6 -109.4(9) 3_565 . . 2_665 ?
C15 C5 C13 C6 -34.7(4) . . . 2_665 ?
C15 C5 C13 C6 40.0(6) 2_665 . . 2_665 ?
C3 C5 C13 C6 -145.3(4) . . . 3_565 ?
C13 C5 C13 C6 -14.5(8) 2_665 . . 3_565 ?
C13 C5 C13 C6 84.0(5) 3_565 . . 3_565 ?
C15 C5 C13 C6 -40.0(6) 3_565 . . 3_565 ?
C15 C5 C13 C6 34.7(4) . . . 3_565 ?
C15 C5 C13 C6 109.4(9) 2_665 . . 3_565 ?
C14 N2 C14 C6 124.9(7) 2_665 . . 2_665 ?
C14 N2 C14 C6 25.0(10) 3_565 . . 2_665 ?
C6 N2 C14 C6 149.9(14) 3_565 . . 2_665 ?
C6 N2 C14 C6 74.9(7) . . . 2_665 ?
Cu2 N2 C14 C6 -105.1(7) 4_664 . . 2_665 ?
C14 N2 C14 C6 -25.0(10) 2_665 . . 3_565 ?
C14 N2 C14 C6 -124.9(7) 3_565 . . 3_565 ?
C6 N2 C14 C6 -149.9(14) 2_665 . . 3_565 ?
C6 N2 C14 C6 -74.9(7) . . . 3_565 ?
Cu2 N2 C14 C6 105.1(7) 4_664 . . 3_565 ?
C14 N2 C14 C13 49.9(5) 2_665 . . . ?
C14 N2 C14 C13 -49.9(5) 3_565 . . . ?
C6 N2 C14 C13 74.9(7) 3_565 . . . ?
C6 N2 C14 C13 -74.9(7) 2_665 . . . ?
C6 N2 C14 C13 0.000(5) . . . . ?
Cu2 N2 C14 C13 179.998(4) 4_664 . . . ?
C14 N2 C14 C15 85.0(5) 2_665 . . 2_665 ?
C14 N2 C14 C15 -14.9(8) 3_565 . . 2_665 ?
C6 N2 C14 C15 110.0(9) 3_565 . . 2_665 ?
C6 N2 C14 C15 -39.9(6) 2_665 . . 2_665 ?
C6 N2 C14 C15 35.0(4) . . . 2_665 ?
Cu2 N2 C14 C15 -145.0(4) 4_664 . . 2_665 ?
C14 N2 C14 C15 14.9(8) 2_665 . . 3_565 ?
C14 N2 C14 C15 -85.0(5) 3_565 . . 3_565 ?
C6 N2 C14 C15 39.9(6) 3_565 . . 3_565 ?
C6 N2 C14 C15 -110.0(9) 2_665 . . 3_565 ?
C6 N2 C14 C15 -35.0(4) . . . 3_565 ?
Cu2 N2 C14 C15 145.0(4) 4_664 . . 3_565 ?
C15 C13 C14 C6 -0.3(11) 2_665 . . 2_665 ?
C15 C13 C14 C6 -122.1(11) 3_565 . . 2_665 ?
C5 C13 C14 C6 -61.2(8) . . . 2_665 ?
C6 C13 C14 C6 -122.5(15) 3_565 . . 2_665 ?
C15 C13 C14 C6 122.1(11) 2_665 . . 3_565 ?
C15 C13 C14 C6 0.3(11) 3_565 . . 3_565 ?
C5 C13 C14 C6 61.2(8) . . . 3_565 ?
C6 C13 C14 C6 122.5(15) 2_665 . . 3_565 ?
C15 C13 C14 N2 60.9(7) 2_665 . . . ?
C15 C13 C14 N2 -60.9(7) 3_565 . . . ?
C5 C13 C14 N2 0.000(5) . . . . ?
C6 C13 C14 N2 61.2(8) 2_665 . . . ?
C6 C13 C14 N2 -61.2(8) 3_565 . . . ?
C15 C13 C14 C15 -121.8(15) 3_565 . . 2_665 ?
C5 C13 C14 C15 -60.9(8) . . . 2_665 ?
C6 C13 C14 C15 0.3(11) 2_665 . . 2_665 ?
C6 C13 C14 C15 -122.1(11) 3_565 . . 2_665 ?
C15 C13 C14 C15 121.8(15) 2_665 . . 3_565 ?
C5 C13 C14 C15 60.9(7) . . . 3_565 ?
C6 C13 C14 C15 122.1(11) 2_665 . . 3_565 ?
C6 C13 C14 C15 -0.3(11) 3_565 . . 3_565 ?
C3 C5 C15 C13 -106.5(7) . . . 3_565 ?
C13 C5 C15 C13 73.5(7) . . . 3_565 ?
C13 C5 C15 C13 147.0(14) 2_665 . . 3_565 ?
C15 C5 C15 C13 123.3(7) 3_565 . . 3_565 ?
C15 C5 C15 C13 23.7(10) 2_665 . . 3_565 ?
C3 C5 C15 C13 106.5(7) . . . 2_665 ?
C13 C5 C15 C13 -73.5(7) . . . 2_665 ?
C13 C5 C15 C13 -147.0(14) 3_565 . . 2_665 ?
C15 C5 C15 C13 -23.7(10) 3_565 . . 2_665 ?
C15 C5 C15 C13 -123.3(7) 2_665 . . 2_665 ?
C3 C5 C15 C6 180.000(2) . . . . ?
C13 C5 C15 C6 0.000(3) . . . . ?
C13 C5 C15 C6 73.5(7) 2_665 . . . ?
C13 C5 C15 C6 -73.5(7) 3_565 . . . ?
C15 C5 C15 C6 49.8(5) 3_565 . . . ?
C15 C5 C15 C6 -49.8(5) 2_665 . . . ?
C3 C5 C15 C14 -146.4(4) . . . 3_565 ?
C13 C5 C15 C14 33.6(4) . . . 3_565 ?
C13 C5 C15 C14 107.1(9) 2_665 . . 3_565 ?
C13 C5 C15 C14 -39.9(6) 3_565 . . 3_565 ?
C15 C5 C15 C14 83.4(5) 3_565 . . 3_565 ?
C15 C5 C15 C14 -16.2(7) 2_665 . . 3_565 ?
C3 C5 C15 C14 146.4(4) . . . 2_665 ?
C13 C5 C15 C14 -33.6(4) . . . 2_665 ?
C13 C5 C15 C14 39.9(6) 2_665 . . 2_665 ?
C13 C5 C15 C14 -107.1(9) 3_565 . . 2_665 ?
C15 C5 C15 C14 16.2(7) 3_565 . . 2_665 ?
C15 C5 C15 C14 -83.4(5) 2_665 . . 2_665 ?
C14 C6 C15 C13 -0.3(11) 3_565 . . 3_565 ?
C14 C6 C15 C13 -117.9(11) 2_665 . . 3_565 ?
N2 C6 C15 C13 -59.1(7) . . . 3_565 ?
C13 C6 C15 C13 -118.2(15) 2_665 . . 3_565 ?
C14 C6 C15 C13 117.9(11) 3_565 . . 2_665 ?
C14 C6 C15 C13 0.3(11) 2_665 . . 2_665 ?
N2 C6 C15 C13 59.1(7) . . . 2_665 ?
C13 C6 C15 C13 118.2(15) 3_565 . . 2_665 ?
C14 C6 C15 C5 58.8(8) 3_565 . . . ?
C14 C6 C15 C5 -58.8(8) 2_665 . . . ?
N2 C6 C15 C5 0.000(5) . . . . ?
C13 C6 C15 C5 59.1(7) 3_565 . . . ?
C13 C6 C15 C5 -59.1(7) 2_665 . . . ?
C14 C6 C15 C14 -117.5(15) 2_665 . . 3_565 ?
N2 C6 C15 C14 -58.8(8) . . . 3_565 ?
C13 C6 C15 C14 0.3(11) 3_565 . . 3_565 ?
C13 C6 C15 C14 -117.9(11) 2_665 . . 3_565 ?
C14 C6 C15 C14 117.5(15) 3_565 . . 2_665 ?
N2 C6 C15 C14 58.8(8) . . . 2_665 ?
C13 C6 C15 C14 117.9(11) 3_565 . . 2_665 ?
C13 C6 C15 C14 -0.3(11) 2_665 . . 2_665 ?

_refine_diff_density_max         0.559
_refine_diff_density_min         -0.405
_refine_diff_density_rms         0.064



