# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 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_cu1
_database_code_depnum_ccdc_archive 'CCDC 2174292'
loop_
_audit_author_name
_audit_author_address
'Bao Li'
;Huazhong university of science and technology
China
;
_audit_update_record             
;
2022-05-21 deposited with the CCDC.	2022-07-05 downloaded from the CCDC.
;
_audit_creation_date             2021-05-31
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C32 Cu6 I4 N8 O12'
_chemical_formula_sum            'C38 Cu6 I4 N10 O12'
_chemical_formula_weight         1677.32
_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 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.3257 6.8362 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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      trigonal
_space_group_IT_number           167
_space_group_name_H-M_alt        'R -3 c'
_space_group_name_Hall           '-R 3 2"c'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z+1/2'
'x-y, -y, -z+1/2'
'-x, -x+y, -z+1/2'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'y+2/3, x+1/3, -z+5/6'
'x-y+2/3, -y+1/3, -z+5/6'
'-x+2/3, -x+y+1/3, -z+5/6'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'y+1/3, x+2/3, -z+7/6'
'x-y+1/3, -y+2/3, -z+7/6'
'-x+1/3, -x+y+2/3, -z+7/6'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z-1/2'
'-x+y, y, z-1/2'
'x, x-y, z-1/2'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-y+2/3, -x+1/3, z-1/6'
'-x+y+2/3, y+1/3, z-1/6'
'x+2/3, x-y+1/3, z-1/6'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
'-y+1/3, -x+2/3, z+1/6'
'-x+y+1/3, y+2/3, z+1/6'
'x+1/3, x-y+2/3, z+1/6'

_cell_length_a                   35.9116(4)
_cell_length_b                   35.9116(4)
_cell_length_c                   87.2194(16)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     97412(3)
_cell_formula_units_Z            36
_cell_measurement_reflns_used    ?
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      ?
_cell_measurement_theta_min      ?
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    10.511
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.029
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       ?
_exptl_crystal_F_000             28080
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0691
_diffrn_reflns_av_unetI/netI     0.0323
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       44
_diffrn_reflns_limit_h_min       -43
_diffrn_reflns_limit_k_max       43
_diffrn_reflns_limit_k_min       -39
_diffrn_reflns_limit_l_max       107
_diffrn_reflns_limit_l_min       -105
_diffrn_reflns_number            169321
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         72.659
_diffrn_reflns_theta_min         2.461
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                18103
_reflns_number_total             21330
_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       ?
_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  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         4.102
_refine_diff_density_min         -2.028
_refine_diff_density_rms         0.311
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.797
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     554
_refine_ls_number_reflns         21330
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1396
_refine_ls_R_factor_gt           0.1292
_refine_ls_restrained_S_all      1.797
_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)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3950
_refine_ls_wR_factor_ref         0.4101
_refine_special_details          ?
_olex2_refinement_description    
;
;
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     ?
_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
I01 I 0.42869(3) 0.40783(2) 0.60997(2) 0.0719(3) Uani 1 1 d . . . . .
I02 I 0.46864(3) 0.51231(3) 0.64427(2) 0.0712(3) Uani 1 1 d . . . . .
I03 I 0.55856(3) 0.51460(3) 0.60501(2) 0.0786(3) Uani 1 1 d . . . . .
I04 I 0.59822(4) 0.61456(3) 0.63824(2) 0.0963(4) Uani 1 1 d . . . . .
Cu05 Cu 0.19639(4) 0.34258(3) 0.56874(2) 0.0357(3) Uani 1 1 d . . . . .
Cu06 Cu 0.34369(3) 0.17150(4) 0.68127(2) 0.0371(3) Uani 1 1 d . . . . .
Cu07 Cu 0.47713(5) 0.48981(5) 0.61444(2) 0.0599(4) Uani 1 1 d . . . . .
Cu08 Cu 0.45942(5) 0.43661(5) 0.63687(2) 0.0591(4) Uani 1 1 d . . . . .
Cu09 Cu 0.54737(6) 0.53107(5) 0.63473(2) 0.0664(5) Uani 1 1 d . . . . .
Cu0A Cu 0.55796(8) 0.58524(6) 0.61339(4) 0.1012(9) Uani 1 1 d . . . . .
O00B O 0.6297(2) 0.8029(2) 0.59933(8) 0.0531(16) Uani 1 1 d . . . . .
O00C O 0.6172(2) 0.7936(2) 0.57413(8) 0.0506(15) Uani 1 1 d . . . . .
O00D O 0.25394(19) 0.3860(2) 0.57449(8) 0.0489(14) Uani 1 1 d . . . . .
O00E O 0.3706(2) 0.2213(2) 0.65124(8) 0.0545(16) Uani 1 1 d . . . . .
O00F O 0.2482(2) 0.36775(19) 0.59918(8) 0.0523(15) Uani 1 1 d . . . . .
O00G O 0.7773(2) 0.6347(2) 0.65080(8) 0.0548(16) Uani 1 1 d . . . . .
O00H O 0.7682(2) 0.6169(2) 0.67574(8) 0.0566(17) Uani 1 1 d . . . . .
O00I O 0.3886(2) 0.2293(2) 0.67591(8) 0.0585(17) Uani 1 1 d . . . . .
O00J O 0.3521(2) 0.1742(3) 0.70545(8) 0.0611(19) Uani 1 1 d . . . . .
O00K O 0.2028(3) 0.3540(3) 0.54496(9) 0.072(2) Uani 1 1 d . . . . .
N00L N 0.4499(3) 0.5781(3) 0.59347(13) 0.068(3) Uani 1 1 d . . . . .
N00M N 0.5020(3) 0.5773(3) 0.60508(11) 0.059(2) Uani 1 1 d . . . . .
N00N N 0.4677(3) 0.5358(3) 0.60508(10) 0.054(2) Uani 1 1 d . . . . .
N00O N 0.5161(3) 0.4425(3) 0.64393(12) 0.064(2) Uani 1 1 d . . . . .
C00P C 0.6113(2) 0.7808(3) 0.58745(11) 0.0436(18) Uani 1 1 d . . . . .
N00Q N 0.5675(3) 0.4362(3) 0.65476(16) 0.079(3) Uani 1 1 d . . . . .
N00S N 0.4235(4) 0.5936(4) 0.5868(2) 0.100(5) Uani 1 1 d . . . . .
C00T C 0.2685(3) 0.3915(3) 0.58796(11) 0.0433(18) Uani 1 1 d . . . . .
N00U N 0.5528(3) 0.4833(3) 0.64406(12) 0.062(2) Uani 1 1 d . . . . .
O00V O 0.4156(3) 0.3947(3) 0.65317(14) 0.087(3) Uani 1 1 d . . . . .
C00W C 0.3938(2) 0.2420(3) 0.66232(11) 0.0433(18) Uani 1 1 d . . . . .
C00X C 0.7563(3) 0.6134(3) 0.66196(11) 0.0459(19) Uani 1 1 d . . . . .
N00Y N 0.5920(4) 0.4185(4) 0.6606(2) 0.117(6) Uani 1 1 d . . . . .
C00Z C 0.3123(3) 0.4288(3) 0.59069(12) 0.049(2) Uani 1 1 d . . . . .
C010 C 0.5785(3) 0.7340(3) 0.59067(11) 0.049(2) Uani 1 1 d . . . . .
C011 C 0.3722(3) 0.4722(3) 0.60744(14) 0.059(2) Uani 1 1 d . . . . .
C012 C 0.3309(3) 0.4359(3) 0.60518(14) 0.056(2) Uani 1 1 d . . . . .
C013 C 0.4332(3) 0.3041(3) 0.64434(12) 0.051(2) Uani 1 1 d . . . . .
C014 C 0.7100(3) 0.5782(3) 0.65886(12) 0.049(2) Uani 1 1 d . . . . .
C015 C 0.3936(3) 0.4998(3) 0.59555(15) 0.061(3) Uani 1 1 d . . . . .
C016 C 0.4297(3) 0.2862(3) 0.65886(12) 0.049(2) Uani 1 1 d . . . . .
C017 C 0.4909(3) 0.6015(3) 0.59787(15) 0.060(3) Uani 1 1 d . . . . .
C018 C 0.4362(3) 0.5373(3) 0.59839(13) 0.055(2) Uani 1 1 d . . . . .
C019 C 0.4659(3) 0.3463(3) 0.64150(14) 0.059(2) Uani 1 1 d . . . . .
C01A C 0.3350(4) 0.4566(4) 0.57844(15) 0.064(3) Uani 1 1 d . . . . .
C01B C 0.4941(3) 0.3699(3) 0.65314(16) 0.063(3) Uani 1 1 d . . . . .
C01C C 0.5758(3) 0.7167(3) 0.60487(13) 0.058(2) Uani 1 1 d . . . . .
C01D C 0.6934(3) 0.5739(3) 0.64428(12) 0.055(2) Uani 1 1 d . . . . .
C01E C 0.5191(3) 0.6482(3) 0.59573(14) 0.061(3) Uani 1 1 d . . . . .
C01F C 0.3743(4) 0.4929(4) 0.58122(16) 0.069(3) Uani 1 1 d . . . . .
C01G C 0.5254(3) 0.4151(3) 0.65020(16) 0.064(3) Uani 1 1 d . . . . .
C01H C 0.6510(4) 0.5410(4) 0.64133(16) 0.064(3) Uani 1 1 d . . . . .
C01I C 0.6861(3) 0.5510(4) 0.67079(16) 0.067(3) Uani 1 1 d . . . . .
C01J C 0.4593(4) 0.3096(4) 0.67029(15) 0.068(3) Uani 1 1 d . . . . .
C01K C 0.6272(3) 0.5127(3) 0.65311(17) 0.070(3) Uani 1 1 d . . . . .
C01L C 0.5466(4) 0.6734(3) 0.60728(13) 0.065(3) Uani 1 1 d . . . . .
C01M C 0.4913(4) 0.3526(4) 0.66746(16) 0.073(3) Uani 1 1 d . . . . .
C01N C 0.5519(4) 0.7090(3) 0.57852(14) 0.066(3) Uani 1 1 d . . . . .
C01O C 0.5834(4) 0.4774(4) 0.65000(17) 0.074(4) Uani 1 1 d . . . . .
C01P C 0.5224(4) 0.6663(4) 0.58105(16) 0.072(3) Uani 1 1 d . . . . .
C01Q C 0.6450(4) 0.5178(4) 0.66736(18) 0.078(4) Uani 1 1 d . . . . .
O1 O 0.6074(4) 0.6273(4) 0.59264(13) 0.095(3) Uiso 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
I01 Cu07 2.5930(16) . ?
I01 Cu08 2.5791(18) . ?
I02 Cu07 2.786(2) . ?
I02 Cu08 2.649(2) . ?
I02 Cu09 2.690(2) . ?
I03 Cu07 2.723(2) . ?
I03 Cu09 2.733(2) . ?
I03 Cu0A 2.651(3) . ?
I04 Cu09 2.6348(18) . ?
I04 Cu0A 2.525(3) . ?
Cu05 Cu05 2.609(2) 17 ?
Cu05 O00B 1.963(7) 16_445 ?
Cu05 O00C 1.963(6) 3_565 ?
Cu05 O00D 1.932(6) . ?
Cu05 O00F 1.961(6) 17 ?
Cu05 O00K 2.104(8) . ?
Cu06 Cu06 2.627(2) 25_556 ?
Cu06 O00E 1.959(7) 25_556 ?
Cu06 O00G 1.962(6) 26_456 ?
Cu06 O00H 1.947(6) 2_655 ?
Cu06 O00I 1.945(7) . ?
Cu06 O00J 2.126(7) . ?
Cu07 Cu08 2.582(2) . ?
Cu07 Cu09 2.820(2) . ?
Cu07 N00N 2.015(10) . ?
Cu08 N00O 2.032(10) . ?
Cu08 O00V 2.095(10) . ?
Cu09 Cu0A 2.580(3) . ?
Cu09 N00U 1.993(10) . ?
Cu0A N00M 2.019(10) . ?
Cu0A O1 2.455(13) . ?
O00B Cu05 1.963(6) 16 ?
O00B C00P 1.270(12) . ?
O00C Cu05 1.963(6) 2_665 ?
O00C C00P 1.228(12) . ?
O00D C00T 1.260(12) . ?
O00E Cu06 1.959(7) 25_556 ?
O00E C00W 1.249(11) . ?
O00F Cu05 1.961(6) 17 ?
O00F C00T 1.263(12) . ?
O00G Cu06 1.962(6) 27_556 ?
O00G C00X 1.235(12) . ?
O00H Cu06 1.947(6) 3_665 ?
O00H C00X 1.260(12) . ?
O00I C00W 1.250(12) . ?
N00L N00S 1.441(16) . ?
N00L C017 1.338(14) . ?
N00L C018 1.360(13) . ?
N00M N00N 1.380(11) . ?
N00M C017 1.285(15) . ?
N00N C018 1.299(15) . ?
N00O N00U 1.397(11) . ?
N00O C01G 1.306(15) . ?
C00P C010 1.521(12) . ?
N00Q N00Y 1.408(17) . ?
N00Q C01G 1.371(13) . ?
N00Q C01O 1.358(16) . ?
C00T C00Z 1.489(11) . ?
N00U C01O 1.324(17) . ?
C00W C016 1.493(12) . ?
C00X C014 1.527(11) . ?
C00Z C012 1.394(15) . ?
C00Z C01A 1.411(16) . ?
C010 C01C 1.368(15) . ?
C010 C01N 1.409(14) . ?
C011 C012 1.414(13) . ?
C011 C015 1.374(16) . ?
C013 C016 1.396(15) . ?
C013 C019 1.399(13) . ?
C014 C01D 1.381(14) . ?
C014 C01I 1.392(16) . ?
C015 C018 1.469(13) . ?
C015 C01F 1.389(18) . ?
C016 C01J 1.392(15) . ?
C017 C01E 1.473(13) . ?
C019 C01B 1.385(16) . ?
C01A C01F 1.383(14) . ?
C01B C01G 1.463(14) . ?
C01B C01M 1.375(19) . ?
C01C C01L 1.388(14) . ?
C01D C01H 1.407(14) . ?
C01E C01L 1.385(15) . ?
C01E C01P 1.415(17) . ?
C01H C01K 1.396(19) . ?
C01I C01Q 1.389(14) . ?
C01J C01M 1.412(15) . ?
C01K C01O 1.471(13) . ?
C01K C01Q 1.366(19) . ?
C01N C01P 1.377(14) . ?

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
Cu08 I01 Cu07 59.90(5) . . ?
Cu08 I02 Cu07 56.67(5) . . ?
Cu08 I02 Cu09 76.00(5) . . ?
Cu09 I02 Cu07 61.97(5) . . ?
Cu07 I03 Cu09 62.24(5) . . ?
Cu0A I03 Cu07 73.04(7) . . ?
Cu0A I03 Cu09 57.24(8) . . ?
Cu0A I04 Cu09 59.95(7) . . ?
O00B Cu05 Cu05 84.2(2) 16_445 17 ?
O00B Cu05 O00C 89.1(3) 16_445 3_565 ?
O00B Cu05 O00K 94.0(3) 16_445 . ?
O00C Cu05 Cu05 84.6(2) 3_565 17 ?
O00C Cu05 O00K 97.9(4) 3_565 . ?
O00D Cu05 Cu05 84.3(2) . 17 ?
O00D Cu05 O00B 168.5(3) . 16_445 ?
O00D Cu05 O00C 88.9(3) . 3_565 ?
O00D Cu05 O00F 91.1(3) . 17 ?
O00D Cu05 O00K 97.5(3) . . ?
O00F Cu05 Cu05 84.4(2) 17 17 ?
O00F Cu05 O00B 88.7(3) 17 16_445 ?
O00F Cu05 O00C 169.0(3) 17 3_565 ?
O00F Cu05 O00K 93.0(4) 17 . ?
O00K Cu05 Cu05 176.9(3) . 17 ?
O00E Cu06 Cu06 81.7(2) 25_556 25_556 ?
O00E Cu06 O00J 92.3(3) 25_556 . ?
O00G Cu06 Cu06 83.3(2) 26_456 25_556 ?
O00G Cu06 O00E 88.5(3) 26_456 25_556 ?
O00G Cu06 O00J 92.6(3) 26_456 . ?
O00H Cu06 Cu06 85.5(2) 2_655 25_556 ?
O00H Cu06 O00E 90.3(4) 2_655 25_556 ?
O00H Cu06 O00G 168.8(3) 2_655 26_456 ?
O00H Cu06 O00J 98.6(3) 2_655 . ?
O00I Cu06 Cu06 86.4(2) . 25_556 ?
O00I Cu06 O00E 168.1(3) . 25_556 ?
O00I Cu06 O00G 90.7(4) . 26_456 ?
O00I Cu06 O00H 88.2(4) . 2_655 ?
O00I Cu06 O00J 99.6(3) . . ?
O00J Cu06 Cu06 172.8(2) . 25_556 ?
I01 Cu07 I02 111.17(6) . . ?
I01 Cu07 I03 109.08(7) . . ?
I01 Cu07 Cu09 127.37(8) . . ?
I02 Cu07 Cu09 57.34(6) . . ?
I03 Cu07 I02 116.27(6) . . ?
I03 Cu07 Cu09 59.06(6) . . ?
Cu08 Cu07 I01 59.78(5) . . ?
Cu08 Cu07 I02 58.99(6) . . ?
Cu08 Cu07 I03 107.32(7) . . ?
Cu08 Cu07 Cu09 74.80(7) . . ?
N00N Cu07 I01 125.2(2) . . ?
N00N Cu07 I02 93.0(3) . . ?
N00N Cu07 I03 101.7(3) . . ?
N00N Cu07 Cu08 146.4(3) . . ?
N00N Cu07 Cu09 107.2(2) . . ?
I01 Cu08 I02 116.20(7) . . ?
I01 Cu08 Cu07 60.31(5) . . ?
Cu07 Cu08 I02 64.34(6) . . ?
N00O Cu08 I01 121.5(3) . . ?
N00O Cu08 I02 102.4(3) . . ?
N00O Cu08 Cu07 106.8(3) . . ?
N00O Cu08 O00V 102.9(5) . . ?
O00V Cu08 I01 108.2(4) . . ?
O00V Cu08 I02 103.6(3) . . ?
O00V Cu08 Cu07 149.8(3) . . ?
I02 Cu09 I03 119.27(7) . . ?
I02 Cu09 Cu07 60.69(6) . . ?
I03 Cu09 Cu07 58.71(6) . . ?
I04 Cu09 I02 107.03(8) . . ?
I04 Cu09 I03 105.26(7) . . ?
I04 Cu09 Cu07 126.85(8) . . ?
Cu0A Cu09 I02 98.75(9) . . ?
Cu0A Cu09 I03 59.77(9) . . ?
Cu0A Cu09 I04 57.91(6) . . ?
Cu0A Cu09 Cu07 72.49(7) . . ?
N00U Cu09 I02 101.6(3) . . ?
N00U Cu09 I03 96.5(3) . . ?
N00U Cu09 I04 128.4(2) . . ?
N00U Cu09 Cu07 104.5(2) . . ?
N00U Cu09 Cu0A 154.5(4) . . ?
I04 Cu0A I03 111.03(9) . . ?
I04 Cu0A Cu09 62.14(7) . . ?
Cu09 Cu0A I03 63.00(7) . . ?
N00M Cu0A I03 104.5(3) . . ?
N00M Cu0A I04 133.6(3) . . ?
N00M Cu0A Cu09 113.1(3) . . ?
N00M Cu0A O1 100.6(4) . . ?
O1 Cu0A I03 92.1(3) . . ?
O1 Cu0A I04 106.8(3) . . ?
O1 Cu0A Cu09 141.7(3) . . ?
C00P O00B Cu05 121.6(6) . 16 ?
C00P O00C Cu05 122.2(6) . 2_665 ?
C00T O00D Cu05 124.1(6) . . ?
C00W O00E Cu06 125.4(7) . 25_556 ?
C00T O00F Cu05 122.2(6) . 17 ?
C00X O00G Cu06 122.5(6) . 27_556 ?
C00X O00H Cu06 120.2(6) . 3_665 ?
C00W O00I Cu06 120.6(6) . . ?
C017 N00L N00S 127.1(9) . . ?
C018 N00L N00S 126.3(9) . . ?
C018 N00L C017 106.1(9) . . ?
N00N N00M Cu0A 116.0(7) . . ?
C017 N00M Cu0A 134.6(7) . . ?
C017 N00M N00N 108.8(9) . . ?
N00M N00N Cu07 117.6(7) . . ?
C018 N00N Cu07 136.3(6) . . ?
C018 N00N N00M 106.1(9) . . ?
N00U N00O Cu08 118.9(8) . . ?
C01G N00O Cu08 131.8(7) . . ?
C01G N00O N00U 108.9(9) . . ?
O00B C00P C010 114.3(8) . . ?
O00C C00P O00B 126.9(8) . . ?
O00C C00P C010 118.8(8) . . ?
C01G N00Q N00Y 128.4(10) . . ?
C01G N00Q C01O 104.9(10) . . ?
C01O N00Q N00Y 125.8(10) . . ?
O00D C00T C00Z 117.3(8) . . ?
O00F C00T O00D 124.3(8) . . ?
O00F C00T C00Z 118.4(8) . . ?
N00O N00U Cu09 116.9(7) . . ?
C01O N00U Cu09 138.0(7) . . ?
C01O N00U N00O 105.0(9) . . ?
O00E C00W C016 116.2(9) . . ?
O00I C00W O00E 125.7(9) . . ?
O00I C00W C016 118.1(8) . . ?
O00G C00X O00H 128.2(8) . . ?
O00G C00X C014 116.6(8) . . ?
O00H C00X C014 115.2(8) . . ?
C012 C00Z C00T 120.3(9) . . ?
C012 C00Z C01A 120.1(9) . . ?
C01A C00Z C00T 119.5(9) . . ?
C01C C010 C00P 120.7(9) . . ?
C01C C010 C01N 121.3(9) . . ?
C01N C010 C00P 118.0(9) . . ?
C015 C011 C012 120.7(11) . . ?
C00Z C012 C011 118.8(10) . . ?
C016 C013 C019 119.5(9) . . ?
C01D C014 C00X 119.2(9) . . ?
C01D C014 C01I 121.9(9) . . ?
C01I C014 C00X 119.0(9) . . ?
C011 C015 C018 119.0(11) . . ?
C011 C015 C01F 120.1(10) . . ?
C01F C015 C018 120.8(10) . . ?
C013 C016 C00W 120.2(8) . . ?
C01J C016 C00W 119.4(9) . . ?
C01J C016 C013 120.4(9) . . ?
N00L C017 C01E 126.4(10) . . ?
N00M C017 N00L 109.3(9) . . ?
N00M C017 C01E 124.2(10) . . ?
N00L C018 C015 125.7(10) . . ?
N00N C018 N00L 109.6(8) . . ?
N00N C018 C015 124.5(9) . . ?
C01B C019 C013 119.6(11) . . ?
C01F C01A C00Z 119.4(12) . . ?
C019 C01B C01G 118.1(11) . . ?
C01M C01B C019 121.6(10) . . ?
C01M C01B C01G 120.1(11) . . ?
C010 C01C C01L 119.3(10) . . ?
C014 C01D C01H 119.3(10) . . ?
C01L C01E C017 120.8(10) . . ?
C01L C01E C01P 119.2(9) . . ?
C01P C01E C017 119.4(10) . . ?
C01A C01F C015 120.6(11) . . ?
N00O C01G N00Q 109.5(9) . . ?
N00O C01G C01B 124.6(9) . . ?
N00Q C01G C01B 125.7(10) . . ?
C01K C01H C01D 119.1(11) . . ?
C01Q C01I C014 117.4(11) . . ?
C016 C01J C01M 119.6(11) . . ?
C01H C01K C01O 119.5(12) . . ?
C01Q C01K C01H 119.9(10) . . ?
C01Q C01K C01O 120.6(12) . . ?
C01C C01L C01E 121.0(10) . . ?
C01B C01M C01J 119.2(10) . . ?
C01P C01N C010 119.2(10) . . ?
N00Q C01O C01K 124.5(11) . . ?
N00U C01O N00Q 111.4(9) . . ?
N00U C01O C01K 123.4(11) . . ?
C01N C01P C01E 119.9(10) . . ?
C01K C01Q C01I 122.3(12) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
