# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2024

####################################################################### 
# 
# 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_aaa
_database_code_depnum_ccdc_archive 'CCDC 2338522'
loop_
_audit_author_name
_audit_author_address
'Xueyue Yu'
;Jilin University
China
;
_audit_update_record             
;
2024-03-07 deposited with the CCDC.	2024-05-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/2
_shelx_SHELXL_version_number     2019/2
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C221 H203 Cl Cu6 In6 N64 O60.50'
_chemical_formula_sum            'C221 H203 Cl Cu6 In6 N64 O60.50'
_chemical_formula_weight         5829.07

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'
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'
Cl Cl 0.1484 0.1585 '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'
In In -0.7276 1.3100 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      cubic
_space_group_IT_number           229
_space_group_name_H-M_alt        'I m -3 m'
_space_group_name_Hall           '-I 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+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'z+1/2, x+1/2, y+1/2'
'z+1/2, -x+1/2, -y+1/2'
'-z+1/2, -x+1/2, y+1/2'
'-z+1/2, x+1/2, -y+1/2'
'y+1/2, z+1/2, x+1/2'
'-y+1/2, z+1/2, -x+1/2'
'y+1/2, -z+1/2, -x+1/2'
'-y+1/2, -z+1/2, x+1/2'
'y+1/2, x+1/2, -z+1/2'
'-y+1/2, -x+1/2, -z+1/2'
'y+1/2, -x+1/2, z+1/2'
'-y+1/2, x+1/2, z+1/2'
'x+1/2, z+1/2, -y+1/2'
'-x+1/2, z+1/2, y+1/2'
'-x+1/2, -z+1/2, -y+1/2'
'x+1/2, -z+1/2, y+1/2'
'z+1/2, y+1/2, -x+1/2'
'z+1/2, -y+1/2, x+1/2'
'-z+1/2, y+1/2, x+1/2'
'-z+1/2, -y+1/2, -x+1/2'
'-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+1/2, -y+1/2, -z+1/2'
'x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, z+1/2'
'-z+1/2, -x+1/2, -y+1/2'
'-z+1/2, x+1/2, y+1/2'
'z+1/2, x+1/2, -y+1/2'
'z+1/2, -x+1/2, y+1/2'
'-y+1/2, -z+1/2, -x+1/2'
'y+1/2, -z+1/2, x+1/2'
'-y+1/2, z+1/2, x+1/2'
'y+1/2, z+1/2, -x+1/2'
'-y+1/2, -x+1/2, z+1/2'
'y+1/2, x+1/2, z+1/2'
'-y+1/2, x+1/2, -z+1/2'
'y+1/2, -x+1/2, -z+1/2'
'-x+1/2, -z+1/2, y+1/2'
'x+1/2, -z+1/2, -y+1/2'
'x+1/2, z+1/2, y+1/2'
'-x+1/2, z+1/2, -y+1/2'
'-z+1/2, -y+1/2, x+1/2'
'-z+1/2, y+1/2, -x+1/2'
'z+1/2, -y+1/2, -x+1/2'
'z+1/2, y+1/2, x+1/2'

_cell_length_a                   28.162(3)
_cell_length_b                   28.162(3)
_cell_length_c                   28.162(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     22335(8)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    64267
_cell_measurement_theta_min      1.023
_cell_measurement_theta_max      25.051

_exptl_crystal_description       block
_exptl_crystal_colour            brown
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    0.867
_exptl_crystal_F_000             5892
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.17
_exptl_absorpt_coefficient_mu    0.640
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.7256
_exptl_absorpt_correction_T_max  0.8657
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean '100 cm'
_diffrn_reflns_number            64267
_diffrn_reflns_av_unetI/netI     0.0156
_diffrn_reflns_av_R_equivalents  0.0612
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_theta_min         1.023
_diffrn_reflns_theta_max         25.051
_diffrn_reflns_theta_full        25.051
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             1932
_reflns_number_gt                1676
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0784P)²+39.2098P] 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_number_reflns         1932
_refine_ls_number_parameters     83
_refine_ls_number_restraints     24
_refine_ls_R_factor_all          0.0503
_refine_ls_R_factor_gt           0.0418
_refine_ls_wR_factor_ref         0.1317
_refine_ls_wR_factor_gt          0.1256
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_restrained_S_all      1.060
_refine_ls_shift/su_max          0.000
_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
In1 In 0.500000 0.250000 0.000000 0.0366(2) Uani 1 8 d S T P . .
Cu1 Cu 0.500000 0.500000 0.40350(3) 0.0308(3) Uani 1 8 d S T P . .
Cl1 Cl 0.500000 0.500000 0.500000 0.0218(8) Uani 1 48 d S T P . .
O1 O 0.500000 0.18403(11) 0.05341(10) 0.0501(8) Uani 1 2 d S T P . .
O2 O 0.500000 0.25730(11) 0.07779(11) 0.0543(8) Uani 1 2 d S T P . .
N1 N 0.500000 0.41008(13) 0.35515(13) 0.0636(12) Uani 1 2 d S T P . .
N2 N 0.500000 0.43012(12) 0.39753(11) 0.0438(8) Uani 1 2 d S T P . .
C1 C 0.500000 0.36395(14) 0.36395(14) 0.0557(17) Uani 1 4 d S T P A .
C2 C 0.500000 0.32743(17) 0.32743(17) 0.073(2) Uani 1 4 d S T P . .
C3 C 0.500000 0.3383(3) 0.2812(3) 0.0502(14) Uani 0.5 2 d S TU P A 1
H3 H 0.500000 0.369902 0.271774 0.060 Uiso 0.5 2 calc R U P A 1
C4 C 0.500000 0.3029(4) 0.2476(4) 0.0502(14) Uani 0.5 2 d S TU P A 1
H4 H 0.500000 0.311893 0.215806 0.060 Uiso 0.5 2 calc R U P A 1
C3' C 0.5279(4) 0.3353(5) 0.2838(5) 0.0502(14) Uani 0.25 1 d . U P . 2
C4' C 0.5275(5) 0.3005(5) 0.2500(5) 0.0502(14) Uani 0.25 1 d . U P . 2
C5 C 0.500000 0.25719(17) 0.25719(17) 0.072(3) Uani 1 4 d S T P . .
C6 C 0.500000 0.21980(16) 0.21980(16) 0.065(2) Uani 1 4 d S T P . .
C7 C 0.500000 0.23086(17) 0.17212(16) 0.0625(14) Uani 1 2 d S T P . .
H7 H 0.500000 0.262701 0.163349 0.075 Uiso 1 2 calc R U P A .
C8 C 0.500000 0.19739(14) 0.13732(15) 0.0471(10) Uani 1 2 d S T P A .
C9 C 0.500000 0.15000(15) 0.15000(15) 0.0479(15) Uani 1 4 d S T P . .
H9 H 0.500000 0.126647 0.126646 0.058 Uiso 1 4 calc R U P A .
C10 C 0.500000 0.21280(16) 0.08621(15) 0.0445(10) Uani 1 2 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
In1 O2 2.200(3) . ?
In1 O2 2.200(3) 93_554 ?
In1 O2 2.200(3) 46_554 ?
In1 O2 2.200(3) 50 ?
In1 O1 2.390(3) 50 ?
In1 O1 2.390(3) 46_554 ?
In1 O1 2.390(3) 93_554 ?
In1 O1 2.390(3) . ?
In1 C10 2.644(4) 46_554 ?
In1 C10 2.644(4) 50 ?
In1 C10 2.644(4) 93_554 ?
In1 C10 2.644(4) . ?
Cu1 N2 1.975(3) 62 ?
Cu1 N2 1.975(3) 61_665 ?
Cu1 N2 1.975(3) 2_665 ?
Cu1 N2 1.975(3) . ?
Cu1 Cl1 2.7176(9) . ?
O1 C10 1.229(5) . ?
O2 C10 1.275(5) . ?
N1 N2 1.320(5) . ?
N1 C1 1.322(5) . ?
N2 N2 1.298(7) 18_655 ?
C1 C2 1.455(9) . ?
C2 C3 1.337(10) . ?
C2 C3 1.337(10) 18_655 ?
C2 C3' 1.476(13) 18_655 ?
C2 C3' 1.476(13) 52_655 ?
C2 C3' 1.476(13) 67 ?
C2 C3' 1.476(13) . ?
C3 C4 1.375(13) . ?
C3 H3 0.9300 . ?
C4 C5 1.315(11) . ?
C4 H4 0.9300 . ?
C3' C4' 1.366(18) . ?
C3' C3' 1.57(3) 52_655 ?
C4' C5 1.460(14) . ?
C4' C4' 1.55(3) 52_655 ?
C4' C4' 2.01(3) 67 ?
C5 C6 1.489(9) . ?
C6 C7 1.378(6) 18_655 ?
C6 C7 1.378(6) . ?
C7 C8 1.360(6) . ?
C7 H7 0.9300 . ?
C8 C9 1.382(5) . ?
C8 C10 1.503(6) . ?
C9 H9 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
O2 In1 O2 90.500(15) . 93_554 ?
O2 In1 O2 90.500(15) . 46_554 ?
O2 In1 O2 169.28(16) 93_554 46_554 ?
O2 In1 O2 169.28(16) . 50 ?
O2 In1 O2 90.500(15) 93_554 50 ?
O2 In1 O2 90.500(15) 46_554 50 ?
O2 In1 O1 134.35(10) . 50 ?
O2 In1 O1 85.83(6) 93_554 50 ?
O2 In1 O1 85.83(6) 46_554 50 ?
O2 In1 O1 56.37(10) 50 50 ?
O2 In1 O1 85.83(6) . 46_554 ?
O2 In1 O1 134.35(10) 93_554 46_554 ?
O2 In1 O1 56.37(10) 46_554 46_554 ?
O2 In1 O1 85.83(6) 50 46_554 ?
O1 In1 O1 127.16(8) 50 46_554 ?
O2 In1 O1 85.83(6) . 93_554 ?
O2 In1 O1 56.37(10) 93_554 93_554 ?
O2 In1 O1 134.35(10) 46_554 93_554 ?
O2 In1 O1 85.83(6) 50 93_554 ?
O1 In1 O1 127.16(8) 50 93_554 ?
O1 In1 O1 77.98(13) 46_554 93_554 ?
O2 In1 O1 56.37(10) . . ?
O2 In1 O1 85.83(6) 93_554 . ?
O2 In1 O1 85.83(6) 46_554 . ?
O2 In1 O1 134.35(10) 50 . ?
O1 In1 O1 77.98(13) 50 . ?
O1 In1 O1 127.16(8) 46_554 . ?
O1 In1 O1 127.16(8) 93_554 . ?
O2 In1 C10 87.88(3) . 46_554 ?
O2 In1 C10 162.03(13) 93_554 46_554 ?
O2 In1 C10 28.70(12) 46_554 46_554 ?
O2 In1 C10 87.88(3) 50 46_554 ?
O1 In1 C10 107.93(8) 50 46_554 ?
O1 In1 C10 27.67(11) 46_554 46_554 ?
O1 In1 C10 105.66(12) 93_554 46_554 ?
O1 In1 C10 107.93(8) . 46_554 ?
O2 In1 C10 162.03(13) . 50 ?
O2 In1 C10 87.88(3) 93_554 50 ?
O2 In1 C10 87.88(3) 46_554 50 ?
O2 In1 C10 28.70(12) 50 50 ?
O1 In1 C10 27.67(11) 50 50 ?
O1 In1 C10 107.93(8) 46_554 50 ?
O1 In1 C10 107.93(8) 93_554 50 ?
O1 In1 C10 105.66(12) . 50 ?
C10 In1 C10 99.03(7) 46_554 50 ?
O2 In1 C10 87.88(3) . 93_554 ?
O2 In1 C10 28.70(12) 93_554 93_554 ?
O2 In1 C10 162.03(13) 46_554 93_554 ?
O2 In1 C10 87.88(3) 50 93_554 ?
O1 In1 C10 107.93(8) 50 93_554 ?
O1 In1 C10 105.66(12) 46_554 93_554 ?
O1 In1 C10 27.67(11) 93_554 93_554 ?
O1 In1 C10 107.93(8) . 93_554 ?
C10 In1 C10 133.33(19) 46_554 93_554 ?
C10 In1 C10 99.03(7) 50 93_554 ?
O2 In1 C10 28.70(12) . . ?
O2 In1 C10 87.88(3) 93_554 . ?
O2 In1 C10 87.88(3) 46_554 . ?
O2 In1 C10 162.02(13) 50 . ?
O1 In1 C10 105.65(12) 50 . ?
O1 In1 C10 107.93(8) 46_554 . ?
O1 In1 C10 107.93(8) 93_554 . ?
O1 In1 C10 27.67(11) . . ?
C10 In1 C10 99.03(7) 46_554 . ?
C10 In1 C10 133.33(19) 50 . ?
C10 In1 C10 99.03(7) 93_554 . ?
N2 Cu1 N2 170.23(19) 62 61_665 ?
N2 Cu1 N2 89.585(17) 62 2_665 ?
N2 Cu1 N2 89.584(17) 61_665 2_665 ?
N2 Cu1 N2 89.584(17) 62 . ?
N2 Cu1 N2 89.584(17) 61_665 . ?
N2 Cu1 N2 170.23(19) 2_665 . ?
N2 Cu1 Cl1 94.89(10) 62 . ?
N2 Cu1 Cl1 94.89(10) 61_665 . ?
N2 Cu1 Cl1 94.89(10) 2_665 . ?
N2 Cu1 Cl1 94.89(10) . . ?
Cu1 Cl1 Cu1 180.0 57_666 9 ?
Cu1 Cl1 Cu1 90.0 57_666 49_666 ?
Cu1 Cl1 Cu1 90.0 9 49_666 ?
Cu1 Cl1 Cu1 90.0 57_666 5 ?
Cu1 Cl1 Cu1 90.0 9 5 ?
Cu1 Cl1 Cu1 90.0 49_666 5 ?
Cu1 Cl1 Cu1 90.0 57_666 53_666 ?
Cu1 Cl1 Cu1 90.0 9 53_666 ?
Cu1 Cl1 Cu1 90.0 49_666 53_666 ?
Cu1 Cl1 Cu1 180.0 5 53_666 ?
Cu1 Cl1 Cu1 90.0 57_666 . ?
Cu1 Cl1 Cu1 90.0 9 . ?
Cu1 Cl1 Cu1 180.0 49_666 . ?
Cu1 Cl1 Cu1 90.0 5 . ?
Cu1 Cl1 Cu1 90.0 53_666 . ?
C10 O1 In1 87.7(3) . . ?
C10 O2 In1 95.4(3) . . ?
N2 N1 C1 104.5(4) . . ?
N2 N2 N1 109.7(2) 18_655 . ?
N2 N2 Cu1 130.11(10) 18_655 . ?
N1 N2 Cu1 120.2(3) . . ?
N1 C1 N1 111.6(5) . 18_655 ?
N1 C1 C2 124.2(3) . . ?
N1 C1 C2 124.2(3) 18_655 . ?
C3 C2 C3 116.4(10) . 18_655 ?
C3 C2 C1 121.8(5) . . ?
C3 C2 C1 121.8(5) 18_655 . ?
C3 C2 C3' 109.6(7) . 18_655 ?
C3 C2 C3' 32.4(5) 18_655 18_655 ?
C1 C2 C3' 118.9(6) . 18_655 ?
C3 C2 C3' 32.4(5) . 52_655 ?
C3 C2 C3' 109.6(7) 18_655 52_655 ?
C1 C2 C3' 118.9(6) . 52_655 ?
C3' C2 C3' 88.0(11) 18_655 52_655 ?
C3 C2 C3' 109.6(7) . 67 ?
C3 C2 C3' 32.4(5) 18_655 67 ?
C1 C2 C3' 118.9(6) . 67 ?
C1 C2 C3' 118.9(6) . . ?
C3' C2 C3' 122.2(12) 18_655 . ?
C3' C2 C3' 64.5(10) 52_655 . ?
C3' C2 C3' 88.0(11) 67 . ?
C2 C3 C4 120.4(9) . . ?
C2 C3 H3 119.8 . . ?
C4 C3 H3 119.8 . . ?
C5 C4 C3 124.6(9) . . ?
C5 C4 H4 117.7 . . ?
C3 C4 H4 117.7 . . ?
C4' C3' C2 118.0(11) . . ?
C4' C3' C3' 89.5(8) . 52_655 ?
C2 C3' C3' 57.8(5) . 52_655 ?
C3' C4' C5 120.4(11) . . ?
C3' C4' C4' 90.5(8) . 52_655 ?
C5 C4' C4' 57.9(5) . 52_655 ?
C3' C4' C4' 90.7(8) . 67 ?
C5 C4' C4' 46.4(5) . 67 ?
C4' C4' C4' 90.000(2) 52_655 67 ?
C4 C5 C4 113.8(10) . 18_655 ?
C4 C5 C4' 108.0(7) . 67 ?
C4 C5 C4' 32.1(5) 18_655 67 ?
C4' C5 C4' 87.2(11) . 67 ?
C4 C5 C4' 32.1(5) . 52_655 ?
C4 C5 C4' 108.0(7) 18_655 52_655 ?
C4' C5 C4' 64.1(11) . 52_655 ?
C4' C5 C4' 121.0(12) 67 52_655 ?
C4 C5 C4' 108.0(7) . 18_655 ?
C4 C5 C4' 32.1(5) 18_655 18_655 ?
C4' C5 C4' 121.0(12) . 18_655 ?
C4' C5 C4' 64.1(11) 67 18_655 ?
C4' C5 C4' 87.2(11) 52_655 18_655 ?
C4 C5 C6 123.1(5) . . ?
C4 C5 C6 123.1(5) 18_655 . ?
C4' C5 C6 119.5(6) . . ?
C4' C5 C6 119.5(6) 67 . ?
C4' C5 C6 119.5(6) 52_655 . ?
C4' C5 C6 119.5(6) 18_655 . ?
C7 C6 C7 116.1(6) 18_655 . ?
C7 C6 C5 121.9(3) 18_655 . ?
C7 C6 C5 121.9(3) . . ?
C8 C7 C6 123.1(5) . . ?
C8 C7 H7 118.5 . . ?
C6 C7 H7 118.5 . . ?
C7 C8 C9 118.9(4) . . ?
C7 C8 C10 119.3(4) . . ?
C9 C8 C10 121.8(4) . . ?
C8 C9 C8 120.0(5) . 18_655 ?
C8 C9 H9 120.0 . . ?
C8 C9 H9 120.0 18_655 . ?
O1 C10 O2 120.5(4) . . ?
O1 C10 C8 122.0(4) . . ?
O2 C10 C8 117.5(4) . . ?
O1 C10 In1 64.6(2) . . ?
O2 C10 In1 55.9(2) . . ?
C8 C10 In1 173.4(3) . . ?

_refine_diff_density_max         0.505
_refine_diff_density_min         -0.577
_refine_diff_density_rms         0.063



