# Supplementary Information (SI) for Nanoscale.
# This journal is © The Royal Society of Chemistry 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. 
# 
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data_R-3c
_database_code_depnum_ccdc_archive 'CCDC 2067535'
loop_
_audit_author_name
_audit_author_address
'Cristina Femoni'
;ALMA MATER STUDIORUM  University of Bologna
Italy
;
_audit_update_record             
;
2021-03-02 deposited with the CCDC.	2024-08-27 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT213_R-3c                
;
PROBLEM: Atom C5              has ADP max/min Ratio .....        4.4 prolat
RESPONSE: Carbonyl ligands were slightly disordered, this is why such alerts are present. However, we decided to not split treat it so to avoid to complicate the structural model
;
_vrf_PLAT214_R-3c                
;
PROBLEM: Atom C100      (Anion/Solvent) ADP max/min Ratio        5.3 prolat
RESPONSE: Carbonyl ligands were slightly disordered, this is why such alerts are present. However, we decided to not split treat it so to avoid to complicate the structural model
;
_vrf_PLAT220_R-3c                
;
PROBLEM: NonSolvent   Resd 1  C   Ueq(max)/Ueq(min) Range       10.0 Ratio
RESPONSE: The heavy Rh and In metals may cause some problems in the Ueq of the CO ligands, directly coordinated to the Rh atoms.
;
# Added during the CSD deposition process: Tuesday 02 March 2021 10:36 AM
# end Validation Reply Form


_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C52 H60 In N3 O28 Rh12'
_chemical_formula_weight         2524.77

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'
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'
Rh Rh -1.1178 0.9187 '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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      trigonal
_space_group_IT_number           167
_space_group_name_H-M_alt        'R -3 c :H'
_space_group_name_Hall           '-R 3 2"c'

_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'
'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                   23.198(3)
_cell_length_b                   23.198(3)
_cell_length_c                   22.087(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     10293(3)
_cell_formula_units_Z            6
_cell_measurement_temperature    77(2)
_cell_measurement_reflns_used    9938
_cell_measurement_theta_min      2.7395
_cell_measurement_theta_max      30.568

_exptl_crystal_description       PRISMATIC
_exptl_crystal_colour            BLACK
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.444
_exptl_crystal_F_000             7236
_exptl_transmission_factor_min   0.480
_exptl_transmission_factor_max   0.650
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.120
_exptl_absorpt_coefficient_mu    3.213
_shelx_estimated_absorpt_T_min   0.513
_shelx_estimated_absorpt_T_max   0.699
_exptl_absorpt_correction_type   'EMPIRICAL SADABS'
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      77(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'CMOS AREA DETECTOR'
_diffrn_measurement_method       'OMEGA SCANS'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            40024
_diffrn_reflns_av_unetI/netI     0.0296
_diffrn_reflns_av_R_equivalents  0.0969
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         1.370
_diffrn_reflns_theta_max         24.996
_diffrn_reflns_theta_full        24.996
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             2019
_reflns_number_gt                1910
_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-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          
;
 Refined as a 2-component 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)+(0.0001P)²+5358.9434P] 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         2019
_refine_ls_number_parameters     151
_refine_ls_number_restraints     109
_refine_ls_R_factor_all          0.1391
_refine_ls_R_factor_gt           0.1351
_refine_ls_wR_factor_ref         0.2704
_refine_ls_wR_factor_gt          0.2688
_refine_ls_goodness_of_fit_ref   1.376
_refine_ls_restrained_S_all      1.346
_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 0.3333 0.6667 0.4167 0.0068(8) Uani 1 6 d S T P . .
Rh1 Rh 0.41085(9) 0.80779(10) 0.44117(9) 0.0117(5) Uani 1 1 d . . . . .
Rh2 Rh 0.42004(10) 0.70871(11) 0.51422(8) 0.0139(5) Uani 1 1 d D . . . .
C1 C 0.449(2) 0.692(2) 0.5869(17) 0.059(8) Uani 1 1 d D U . . .
O1 O 0.4703(17) 0.6801(16) 0.6300(14) 0.067(7) Uani 1 1 d D U . . .
C2 C 0.4381(12) 0.7989(12) 0.5325(11) 0.011(4) Uani 1 1 d . U . . .
O2 O 0.4638(9) 0.8404(9) 0.5684(8) 0.016(4) Uani 1 1 d . U . . .
C3 C 0.5053(16) 0.8387(16) 0.4167 0.027(8) Uani 1 2 d S TU P . .
O3 O 0.5549(11) 0.8882(11) 0.4167 0.032(7) Uani 1 2 d S TU P . .
C4 C 0.4179(19) 0.8882(15) 0.4716(16) 0.035(6) Uani 1 1 d . U . . .
O4 O 0.4218(14) 0.9363(12) 0.4877(12) 0.046(6) Uani 1 1 d . U . . .
C5 C 0.5055(14) 0.7293(16) 0.4760(13) 0.023(5) Uani 1 1 d . U . . .
O5 O 0.5587(11) 0.7399(12) 0.4945(9) 0.032(5) Uani 1 1 d . U . . .
C6 C 0.3333 0.6667 0.550(2) 0.202(6) Uani 0.5 3 d DS TU P . .
O6 O 0.3333 0.6667 0.603(2) 0.202(7) Uani 0.5 3 d DS TU P . .
N1 N 0.6667 0.9271(15) 0.5833 0.035(8) Uani 1 2 d DS TU P . .
C100 C 0.696(2) 0.9751(15) 0.6315(12) 0.066(14) Uani 1 1 d D U . . .
H10A H 0.7318 1.0174 0.6142 0.079 Uiso 1 1 calc R U . . .
H10B H 0.7171 0.9588 0.6607 0.079 Uiso 1 1 calc R U . . .
C101 C 0.647(3) 0.990(3) 0.666(3) 0.12(2) Uani 1 1 d D U . . .
H10C H 0.6713 1.0225 0.6977 0.180 Uiso 1 1 calc R U . . .
H10D H 0.6272 1.0070 0.6378 0.180 Uiso 1 1 calc R U . . .
H10E H 0.6125 0.9484 0.6844 0.180 Uiso 1 1 calc R U . . .
C102 C 0.6094(16) 0.8638(14) 0.6018(17) 0.055(10) Uani 1 1 d D U . . .
H10F H 0.5985 0.8308 0.5690 0.066 Uiso 1 1 calc R U . . .
H10G H 0.5706 0.8700 0.6075 0.066 Uiso 1 1 calc R U . . .
C103 C 0.622(2) 0.836(2) 0.661(2) 0.098(19) Uani 1 1 d D U . . .
H10H H 0.5817 0.7937 0.6708 0.147 Uiso 1 1 calc R U . . .
H10I H 0.6593 0.8287 0.6552 0.147 Uiso 1 1 calc R U . . .
H10J H 0.6313 0.8679 0.6936 0.147 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
In1 Rh2 2.7706(19) 11_565 ?
In1 Rh2 2.7707(19) 2_665 ?
In1 Rh2 2.7707(19) 12 ?
In1 Rh2 2.7707(19) 10_455 ?
In1 Rh2 2.7707(19) 3_565 ?
In1 Rh2 2.7708(19) . ?
In1 Rh1 2.891(2) 11_565 ?
In1 Rh1 2.891(2) 10_455 ?
In1 Rh1 2.891(2) . ?
In1 Rh1 2.891(2) 2_665 ?
In1 Rh1 2.891(2) 3_565 ?
In1 Rh1 2.891(2) 12 ?
Rh1 C4 1.91(3) . ?
Rh1 C3 2.01(3) . ?
Rh1 C5 2.08(3) 10_455 ?
Rh1 C2 2.15(3) . ?
Rh1 Rh1 2.776(4) 10_455 ?
Rh1 Rh2 2.902(3) . ?
Rh1 Rh2 2.915(3) 10_455 ?
Rh1 Rh2 3.016(3) 2_665 ?
Rh2 C1 1.85(3) . ?
Rh2 C6 1.91(2) . ?
Rh2 C2 1.96(2) . ?
Rh2 C5 1.98(3) . ?
Rh2 Rh1 2.915(3) 10_455 ?
Rh2 Rh1 3.016(3) 3_565 ?
Rh2 Rh2 3.017(3) 3_565 ?
Rh2 Rh2 3.017(3) 2_665 ?
C1 O1 1.167(19) . ?
C2 O2 1.16(3) . ?
C3 O3 1.15(5) . ?
C3 Rh1 2.01(3) 10_455 ?
C4 O4 1.13(4) . ?
C5 O5 1.20(3) . ?
C5 Rh1 2.08(3) 10_455 ?
C6 O6 1.18(2) . ?
C6 Rh2 1.91(2) 2_665 ?
C6 Rh2 1.91(2) 3_565 ?
N1 C100 1.442(18) 18_655 ?
N1 C100 1.442(19) . ?
N1 C102 1.461(19) . ?
N1 C102 1.462(19) 18_655 ?
C100 C101 1.53(2) . ?
C102 C103 1.54(2) . ?

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
Rh2 In1 Rh2 178.75(10) 11_565 2_665 ?
Rh2 In1 Rh2 65.99(7) 11_565 12 ?
Rh2 In1 Rh2 114.77(9) 2_665 12 ?
Rh2 In1 Rh2 65.99(7) 11_565 10_455 ?
Rh2 In1 Rh2 113.28(9) 2_665 10_455 ?
Rh2 In1 Rh2 65.98(7) 12 10_455 ?
Rh2 In1 Rh2 114.77(9) 11_565 3_565 ?
Rh2 In1 Rh2 65.98(7) 2_665 3_565 ?
Rh2 In1 Rh2 113.28(9) 12 3_565 ?
Rh2 In1 Rh2 178.74(10) 10_455 3_565 ?
Rh2 In1 Rh2 113.28(9) 11_565 . ?
Rh2 In1 Rh2 65.98(7) 2_665 . ?
Rh2 In1 Rh2 178.75(10) 12 . ?
Rh2 In1 Rh2 114.77(9) 10_455 . ?
Rh2 In1 Rh2 65.98(7) 3_565 . ?
Rh2 In1 Rh1 61.63(6) 11_565 11_565 ?
Rh2 In1 Rh1 119.55(6) 2_665 11_565 ?
Rh2 In1 Rh1 64.34(6) 12 11_565 ?
Rh2 In1 Rh1 118.14(6) 10_455 11_565 ?
Rh2 In1 Rh1 61.94(6) 3_565 11_565 ?
Rh2 In1 Rh1 114.45(6) . 11_565 ?
Rh2 In1 Rh1 64.34(6) 11_565 10_455 ?
Rh2 In1 Rh1 114.45(6) 2_665 10_455 ?
Rh2 In1 Rh1 118.14(6) 12 10_455 ?
Rh2 In1 Rh1 61.63(6) 10_455 10_455 ?
Rh2 In1 Rh1 119.55(6) 3_565 10_455 ?
Rh2 In1 Rh1 61.94(6) . 10_455 ?
Rh1 In1 Rh1 116.58(2) 11_565 10_455 ?
Rh2 In1 Rh1 114.45(6) 11_565 . ?
Rh2 In1 Rh1 64.34(6) 2_665 . ?
Rh2 In1 Rh1 119.55(6) 12 . ?
Rh2 In1 Rh1 61.94(6) 10_455 . ?
Rh2 In1 Rh1 118.14(6) 3_565 . ?
Rh2 In1 Rh1 61.63(6) . . ?
Rh1 In1 Rh1 173.61(8) 11_565 . ?
Rh1 In1 Rh1 57.38(8) 10_455 . ?
Rh2 In1 Rh1 119.55(6) 11_565 2_665 ?
Rh2 In1 Rh1 61.63(6) 2_665 2_665 ?
Rh2 In1 Rh1 61.94(6) 12 2_665 ?
Rh2 In1 Rh1 114.45(6) 10_455 2_665 ?
Rh2 In1 Rh1 64.33(6) 3_565 2_665 ?
Rh2 In1 Rh1 118.14(6) . 2_665 ?
Rh1 In1 Rh1 69.53(7) 11_565 2_665 ?
Rh1 In1 Rh1 173.61(7) 10_455 2_665 ?
Rh1 In1 Rh1 116.58(2) . 2_665 ?
Rh2 In1 Rh1 61.94(6) 11_565 3_565 ?
Rh2 In1 Rh1 118.14(6) 2_665 3_565 ?
Rh2 In1 Rh1 114.45(6) 12 3_565 ?
Rh2 In1 Rh1 119.55(6) 10_455 3_565 ?
Rh2 In1 Rh1 61.63(6) 3_565 3_565 ?
Rh2 In1 Rh1 64.33(6) . 3_565 ?
Rh1 In1 Rh1 57.39(8) 11_565 3_565 ?
Rh1 In1 Rh1 69.54(7) 10_455 3_565 ?
Rh1 In1 Rh1 116.58(2) . 3_565 ?
Rh1 In1 Rh1 116.58(2) 2_665 3_565 ?
Rh2 In1 Rh1 118.14(6) 11_565 12 ?
Rh2 In1 Rh1 61.94(6) 2_665 12 ?
Rh2 In1 Rh1 61.63(6) 12 12 ?
Rh2 In1 Rh1 64.33(6) 10_455 12 ?
Rh2 In1 Rh1 114.45(6) 3_565 12 ?
Rh2 In1 Rh1 119.55(6) . 12 ?
Rh1 In1 Rh1 116.58(2) 11_565 12 ?
Rh1 In1 Rh1 116.58(2) 10_455 12 ?
Rh1 In1 Rh1 69.54(7) . 12 ?
Rh1 In1 Rh1 57.38(8) 2_665 12 ?
Rh1 In1 Rh1 173.61(8) 3_565 12 ?
C4 Rh1 C3 101.6(14) . . ?
C4 Rh1 C5 85.6(13) . 10_455 ?
C3 Rh1 C5 88.7(9) . 10_455 ?
C4 Rh1 C2 83.0(13) . . ?
C3 Rh1 C2 88.0(7) . . ?
C5 Rh1 C2 167.3(10) 10_455 . ?
C4 Rh1 Rh1 147.9(11) . 10_455 ?
C3 Rh1 Rh1 46.3(7) . 10_455 ?
C5 Rh1 Rh1 93.5(8) 10_455 10_455 ?
C2 Rh1 Rh1 93.1(7) . 10_455 ?
C4 Rh1 In1 150.7(11) . . ?
C3 Rh1 In1 107.6(7) . . ?
C5 Rh1 In1 96.3(8) 10_455 . ?
C2 Rh1 In1 96.5(7) . . ?
Rh1 Rh1 In1 61.31(4) 10_455 . ?
C4 Rh1 Rh2 125.0(11) . . ?
C3 Rh1 Rh2 86.2(4) . . ?
C5 Rh1 Rh2 149.4(7) 10_455 . ?
C2 Rh1 Rh2 42.4(7) . . ?
Rh1 Rh1 Rh2 61.74(8) 10_455 . ?
In1 Rh1 Rh2 57.15(5) . . ?
C4 Rh1 Rh2 128.0(11) . 10_455 ?
C3 Rh1 Rh2 85.8(5) . 10_455 ?
C5 Rh1 Rh2 42.8(7) 10_455 10_455 ?
C2 Rh1 Rh2 149.0(7) . 10_455 ?
Rh1 Rh1 Rh2 61.26(8) 10_455 10_455 ?
In1 Rh1 Rh2 57.00(5) . 10_455 ?
Rh2 Rh1 Rh2 106.72(8) . 10_455 ?
C4 Rh1 Rh2 97.7(11) . 2_665 ?
C3 Rh1 Rh2 147.4(5) . 2_665 ?
C5 Rh1 Rh2 118.9(9) 10_455 2_665 ?
C2 Rh1 Rh2 68.5(7) . 2_665 ?
Rh1 Rh1 Rh2 110.50(7) 10_455 2_665 ?
In1 Rh1 Rh2 55.90(5) . 2_665 ?
Rh2 Rh1 Rh2 61.28(9) . 2_665 ?
Rh2 Rh1 Rh2 102.57(8) 10_455 2_665 ?
C1 Rh2 C6 86(2) . . ?
C1 Rh2 C2 98.1(16) . . ?
C6 Rh2 C2 94.0(8) . . ?
C1 Rh2 C5 89.9(17) . . ?
C6 Rh2 C5 165.7(10) . . ?
C2 Rh2 C5 100.1(12) . . ?
C1 Rh2 In1 150.7(15) . . ?
C6 Rh2 In1 75.3(14) . . ?
C2 Rh2 In1 105.4(7) . . ?
C5 Rh2 In1 102.5(8) . . ?
C1 Rh2 Rh1 145.7(14) . . ?
C6 Rh2 Rh1 99.0(8) . . ?
C2 Rh2 Rh1 47.9(7) . . ?
C5 Rh2 Rh1 91.9(9) . . ?
In1 Rh2 Rh1 61.22(5) . . ?
C1 Rh2 Rh1 135.3(15) . 10_455 ?
C6 Rh2 Rh1 136.1(14) . 10_455 ?
C2 Rh2 Rh1 93.3(7) . 10_455 ?
C5 Rh2 Rh1 45.4(8) . 10_455 ?
In1 Rh2 Rh1 61.05(5) . 10_455 ?
Rh1 Rh2 Rh1 57.00(8) . 10_455 ?
C1 Rh2 Rh1 100.7(14) . 3_565 ?
C6 Rh2 Rh1 95.3(8) . 3_565 ?
C2 Rh2 Rh1 159.5(7) . 3_565 ?
C5 Rh2 Rh1 71.9(9) . 3_565 ?
In1 Rh2 Rh1 59.77(6) . 3_565 ?
Rh1 Rh2 Rh1 112.42(9) . 3_565 ?
Rh1 Rh2 Rh1 67.52(8) 10_455 3_565 ?
C1 Rh2 Rh2 94.6(15) . 3_565 ?
C6 Rh2 Rh2 37.8(8) . 3_565 ?
C2 Rh2 Rh2 128.9(7) . 3_565 ?
C5 Rh2 Rh2 129.2(9) . 3_565 ?
In1 Rh2 Rh2 57.01(3) . 3_565 ?
Rh1 Rh2 Rh2 110.25(8) . 3_565 ?
Rh1 Rh2 Rh2 111.09(6) 10_455 3_565 ?
Rh1 Rh2 Rh2 57.50(8) 3_565 3_565 ?
C1 Rh2 Rh2 117.9(15) . 2_665 ?
C6 Rh2 Rh2 37.8(8) . 2_665 ?
C2 Rh2 Rh2 70.4(7) . 2_665 ?
C5 Rh2 Rh2 151.2(9) . 2_665 ?
In1 Rh2 Rh2 57.01(3) . 2_665 ?
Rh1 Rh2 Rh2 61.22(9) . 2_665 ?
Rh1 Rh2 Rh2 106.71(7) 10_455 2_665 ?
Rh1 Rh2 Rh2 107.22(7) 3_565 2_665 ?
Rh2 Rh2 Rh2 60.0 3_565 2_665 ?
O1 C1 Rh2 174(4) . . ?
O2 C2 Rh2 141(2) . . ?
O2 C2 Rh1 128(2) . . ?
Rh2 C2 Rh1 89.6(10) . . ?
O3 C3 Rh1 136.3(7) . . ?
O3 C3 Rh1 136.3(7) . 10_455 ?
Rh1 C3 Rh1 87.3(15) . 10_455 ?
O4 C4 Rh1 178(3) . . ?
O5 C5 Rh2 135(2) . . ?
O5 C5 Rh1 132(2) . 10_455 ?
Rh2 C5 Rh1 91.8(11) . 10_455 ?
O6 C6 Rh2 114.2(14) . . ?
O6 C6 Rh2 114.2(14) . 2_665 ?
Rh2 C6 Rh2 104.3(16) . 2_665 ?
O6 C6 Rh2 114.2(14) . 3_565 ?
Rh2 C6 Rh2 104.3(16) . 3_565 ?
Rh2 C6 Rh2 104.3(16) 2_665 3_565 ?
C100 N1 C100 115(4) 18_655 . ?
C100 N1 C102 100(3) 18_655 . ?
C100 N1 C102 114(2) . . ?
C100 N1 C102 114(2) 18_655 18_655 ?
C100 N1 C102 100(3) . 18_655 ?
C102 N1 C102 113(4) . 18_655 ?
N1 C100 C101 115(4) . . ?
N1 C102 C103 113(3) . . ?

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
C100 N1 C100 C101 62(4) 18_655 . . . ?
C102 N1 C100 C101 -54(5) . . . . ?
C102 N1 C100 C101 -175(4) 18_655 . . . ?
C100 N1 C102 C103 -170(3) 18_655 . . . ?
C100 N1 C102 C103 -47(5) . . . . ?
C102 N1 C102 C103 67(3) 18_655 . . . ?

_refine_diff_density_max         3.962
_refine_diff_density_min         -2.626
_refine_diff_density_rms         0.454



####################################################################### 
# 
# 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_Pnma
_database_code_depnum_ccdc_archive 'CCDC 2067536'
loop_
_audit_author_name
_audit_author_address
'Cristina Femoni'
;ALMA MATER STUDIORUM  University of Bologna
Italy
;
_audit_update_record             
;
2021-03-02 deposited with the CCDC.	2024-08-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C34 H46 Cl3 In N2 O16 Rh6'
_chemical_formula_weight         1577.36

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'
Rh Rh -1.1178 0.9187 '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      orthorhombic
_space_group_IT_number           62
_space_group_name_H-M_alt        'P n m a'
_space_group_name_Hall           '-P 2ac 2n'

_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+1/2, -y, z+1/2'
'-x, y+1/2, -z'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z'
'-x-1/2, y-1/2, z-1/2'

_cell_length_a                   19.5591(11)
_cell_length_b                   17.8943(10)
_cell_length_c                   13.8681(8)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     4853.8(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    77(2)
_cell_measurement_reflns_used    9825
_cell_measurement_theta_min      2.373
_cell_measurement_theta_max      30.582

_exptl_crystal_description       PRISMATIC
_exptl_crystal_colour            BLACK
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.159
_exptl_crystal_F_000             3048
_exptl_transmission_factor_min   0.530
_exptl_transmission_factor_max   0.620
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.180
_exptl_absorpt_coefficient_mu    2.685
_shelx_estimated_absorpt_T_min   0.553
_shelx_estimated_absorpt_T_max   0.644
_exptl_absorpt_correction_type   'EMPIRICAL SADABS'
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      77(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'CMOS AREA DETECTOR'
_diffrn_measurement_method       'OMEGA SCANS'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            56365
_diffrn_reflns_av_unetI/netI     0.0244
_diffrn_reflns_av_R_equivalents  0.0602
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         1.800
_diffrn_reflns_theta_max         24.998
_diffrn_reflns_theta_full        24.998
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             4429
_reflns_number_gt                3910
_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-2014/7 (Sheldrick, 2014)'
_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)+(0.0104P)²+66.0455P] 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         4429
_refine_ls_number_parameters     305
_refine_ls_number_restraints     66
_refine_ls_R_factor_all          0.0530
_refine_ls_R_factor_gt           0.0450
_refine_ls_wR_factor_ref         0.0838
_refine_ls_wR_factor_gt          0.0809
_refine_ls_goodness_of_fit_ref   1.204
_refine_ls_restrained_S_all      1.201
_refine_ls_shift/su_max          0.002
_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 0.87021(3) 0.7500 0.67980(5) 0.01003(15) Uani 1 2 d S T P . .
Rh2 Rh 0.88866(4) 0.7500 0.88202(5) 0.00861(16) Uani 1 2 d S T P . .
Rh3 Rh 0.98224(3) 0.82821(3) 0.76415(3) 0.00897(12) Uani 1 1 d . . . . .
Rh4 Rh 1.08741(4) 0.7500 0.84937(5) 0.00854(16) Uani 1 2 d S T P . .
Rh5 Rh 0.99553(2) 0.67325(3) 0.96239(4) 0.00880(12) Uani 1 1 d . . . . .
Cl6 Cl 0.90285(12) 0.7500 0.50484(16) 0.0150(5) Uani 1 2 d S T P . .
Cl7 Cl 0.78523(8) 0.64688(9) 0.65965(11) 0.0133(3) Uani 1 1 d . . . . .
C1 C 0.9339(4) 0.9198(4) 0.7549(5) 0.0153(14) Uani 1 1 d . U . . .
O1 O 0.9071(3) 0.9758(3) 0.7515(4) 0.0257(12) Uani 1 1 d . U . . .
C2 C 1.0238(4) 0.8390(4) 0.6414(5) 0.0159(14) Uani 1 1 d . U . . .
O2 O 1.0509(3) 0.8471(3) 0.5702(4) 0.0242(12) Uani 1 1 d . U . . .
C3 C 1.0655(3) 0.8683(4) 0.8479(5) 0.0121(14) Uani 1 1 d . U . . .
O3 O 1.0994(2) 0.9221(2) 0.8439(3) 0.0139(10) Uani 1 1 d . U . . .
C4 C 1.1489(5) 0.7500 0.7428(7) 0.0133(19) Uani 1 2 d S TU P . .
O4 O 1.1817(4) 0.7500 0.6767(5) 0.0248(17) Uani 1 2 d S TU P . .
C5 C 1.1591(5) 0.7500 0.9448(7) 0.0102(18) Uani 1 2 d S TU P . .
O5 O 1.1960(3) 0.7500 1.0055(5) 0.0173(15) Uani 1 2 d S TU P . .
C6 C 1.0529(3) 0.6578(4) 1.0712(5) 0.0137(14) Uani 1 1 d . U . . .
O6 O 1.0860(3) 0.6467(3) 1.1363(4) 0.0253(12) Uani 1 1 d . U . . .
C7 C 0.9484(3) 0.5820(4) 0.9789(5) 0.0150(14) Uani 1 1 d . U . . .
O7 O 0.9214(3) 0.5264(3) 0.9885(4) 0.0259(12) Uani 1 1 d . U . . .
C8 C 0.9205(5) 0.7500 1.0274(6) 0.0102(18) Uani 1 2 d S TU P . .
O8 O 0.8922(4) 0.7500 1.1016(5) 0.0184(15) Uani 1 2 d S TU P . .
C9 C 0.8234(3) 0.6729(4) 0.8936(5) 0.0124(13) Uani 1 1 d . U . . .
O9 O 0.7845(2) 0.6267(3) 0.9083(4) 0.0206(11) Uani 1 1 d . U . . .
N1 N 0.1819(3) 0.4322(3) 0.6620(4) 0.0151(12) Uani 1 1 d . . . . .
C100 C 0.2322(3) 0.3921(4) 0.5954(5) 0.0160(15) Uani 1 1 d . . . . .
H10A H 0.2572 0.3540 0.6333 0.019 Uiso 1 1 calc R U . . .
H10B H 0.2060 0.3655 0.5448 0.019 Uiso 1 1 calc R U . . .
C101 C 0.2837(3) 0.4431(4) 0.5471(5) 0.0168(15) Uani 1 1 d . . . . .
H10C H 0.2595 0.4829 0.5124 0.025 Uiso 1 1 calc R U . . .
H10D H 0.3114 0.4142 0.5015 0.025 Uiso 1 1 calc R U . . .
H10E H 0.3135 0.4654 0.5961 0.025 Uiso 1 1 calc R U . . .
C102 C 0.1408(4) 0.4904(4) 0.6063(5) 0.0205(16) Uani 1 1 d . . . . .
H10F H 0.1088 0.5152 0.6516 0.025 Uiso 1 1 calc R U . . .
H10G H 0.1727 0.5290 0.5821 0.025 Uiso 1 1 calc R U . . .
C103 C 0.1000(4) 0.4604(5) 0.5219(6) 0.0270(18) Uani 1 1 d . . . . .
H10H H 0.1312 0.4373 0.4752 0.041 Uiso 1 1 calc R U . . .
H10I H 0.0752 0.5014 0.4909 0.041 Uiso 1 1 calc R U . . .
H10J H 0.0674 0.4229 0.5450 0.041 Uiso 1 1 calc R U . . .
C104 C 0.2187(4) 0.4761(4) 0.7409(5) 0.0193(16) Uani 1 1 d . . . . .
H10K H 0.2476 0.5147 0.7099 0.023 Uiso 1 1 calc R U . . .
H10L H 0.1840 0.5023 0.7805 0.023 Uiso 1 1 calc R U . . .
C105 C 0.2632(4) 0.4299(5) 0.8071(5) 0.0279(18) Uani 1 1 d . . . . .
H10M H 0.2350 0.3929 0.8407 0.042 Uiso 1 1 calc R U . . .
H10N H 0.2852 0.4626 0.8545 0.042 Uiso 1 1 calc R U . . .
H10O H 0.2983 0.4042 0.7691 0.042 Uiso 1 1 calc R U . . .
C106 C 0.1361(4) 0.3723(4) 0.7028(5) 0.0176(15) Uani 1 1 d . . . . .
H10P H 0.1642 0.3388 0.7435 0.021 Uiso 1 1 calc R U . . .
H10Q H 0.1180 0.3421 0.6486 0.021 Uiso 1 1 calc R U . . .
C107 C 0.0764(4) 0.3999(5) 0.7623(6) 0.032(2) Uani 1 1 d . . . . .
H10R H 0.0933 0.4316 0.8148 0.048 Uiso 1 1 calc R U . . .
H10S H 0.0518 0.3571 0.7895 0.048 Uiso 1 1 calc R U . . .
H10T H 0.0454 0.4289 0.7213 0.048 Uiso 1 1 calc R U . . .
O200 O 0.6899(5) 0.7500 0.2361(6) 0.042(2) Uani 1 2 d S T P . .
C201 C 0.6595(7) 0.7500 0.1590(8) 0.037(3) Uani 1 2 d S T P . .
C203 C 0.6963(8) 0.7500 0.0663(10) 0.052(4) Uani 1 2 d S T P . .
H20A H 0.6632 0.7500 0.0132 0.077 Uiso 1 2 calc R U P . .
H20B H 0.7251 0.7947 0.0620 0.077 Uiso 0.5 1 calc R U P . .
H20C H 0.7251 0.7053 0.0620 0.077 Uiso 0.5 1 calc R U P . .
C202 C 0.5836(8) 0.7500 0.1557(9) 0.072(6) Uani 1 2 d S T P . .
H20D H 0.5684 0.7500 0.0884 0.107 Uiso 1 2 calc R U P . .
H20E H 0.5662 0.7053 0.1882 0.107 Uiso 0.5 1 calc R U P . .
H20F H 0.5662 0.7947 0.1882 0.107 Uiso 0.5 1 calc R U 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 Cl7 2.4991(16) . ?
In1 Cl7 2.4991(16) 7_575 ?
In1 Cl6 2.509(2) . ?
In1 Rh2 2.8275(10) . ?
In1 Rh3 2.8510(8) . ?
In1 Rh3 2.8511(8) 7_575 ?
Rh2 C9 1.886(7) 7_575 ?
Rh2 C9 1.886(7) . ?
Rh2 C8 2.110(9) . ?
Rh2 Rh5 2.7381(8) 7_575 ?
Rh2 Rh5 2.7381(8) . ?
Rh2 Rh3 2.8250(8) . ?
Rh2 Rh3 2.8250(8) 7_575 ?
Rh3 C1 1.897(7) . ?
Rh3 C2 1.897(7) . ?
Rh3 C3 2.125(7) . ?
Rh3 Rh4 2.7545(8) . ?
Rh3 Rh5 2.7615(7) 7_575 ?
Rh3 Rh3 2.7992(10) 7_575 ?
Rh4 C4 1.906(10) . ?
Rh4 C5 1.928(9) . ?
Rh4 C3 2.159(7) . ?
Rh4 C3 2.159(7) 7_575 ?
Rh4 Rh5 2.7517(8) . ?
Rh4 Rh5 2.7517(8) 7_575 ?
Rh4 Rh3 2.7545(8) 7_575 ?
Rh5 C7 1.889(7) . ?
Rh5 C6 1.900(7) . ?
Rh5 C8 2.203(7) . ?
Rh5 C3 2.225(6) 7_575 ?
Rh5 Rh5 2.7466(10) 7_575 ?
Rh5 Rh3 2.7615(7) 7_575 ?
C1 O1 1.131(8) . ?
C2 O2 1.128(8) . ?
C3 O3 1.169(8) . ?
C3 Rh5 2.225(6) 7_575 ?
C4 O4 1.118(12) . ?
C5 O5 1.109(11) . ?
C6 O6 1.129(8) . ?
C7 O7 1.133(8) . ?
C8 O8 1.168(11) . ?
C8 Rh5 2.203(7) 7_575 ?
C9 O9 1.143(8) . ?
N1 C106 1.506(9) . ?
N1 C102 1.526(9) . ?
N1 C104 1.528(9) . ?
N1 C100 1.530(8) . ?
C100 C101 1.517(10) . ?
C100 H10A 0.9900 . ?
C100 H10B 0.9900 . ?
C101 H10C 0.9800 . ?
C101 H10D 0.9800 . ?
C101 H10E 0.9800 . ?
C102 C103 1.515(10) . ?
C102 H10F 0.9900 . ?
C102 H10G 0.9900 . ?
C103 H10H 0.9800 . ?
C103 H10I 0.9800 . ?
C103 H10J 0.9800 . ?
C104 C105 1.512(10) . ?
C104 H10K 0.9900 . ?
C104 H10L 0.9900 . ?
C105 H10M 0.9800 . ?
C105 H10N 0.9800 . ?
C105 H10O 0.9800 . ?
C106 C107 1.514(10) . ?
C106 H10P 0.9900 . ?
C106 H10Q 0.9900 . ?
C107 H10R 0.9800 . ?
C107 H10S 0.9800 . ?
C107 H10T 0.9800 . ?
O200 C201 1.224(15) . ?
C201 C203 1.473(18) . ?
C201 C202 1.48(2) . ?
C203 H20A 0.9800 . ?
C203 H20B 0.9800 . ?
C203 H20C 0.9800 . ?
C202 H20D 0.9800 . ?
C202 H20E 0.9800 . ?
C202 H20F 0.9800 . ?

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
Cl7 In1 Cl7 95.18(8) . 7_575 ?
Cl7 In1 Cl6 93.50(5) . . ?
Cl7 In1 Cl6 93.50(5) 7_575 . ?
Cl7 In1 Rh2 101.29(4) . . ?
Cl7 In1 Rh2 101.29(4) 7_575 . ?
Cl6 In1 Rh2 157.93(6) . . ?
Cl7 In1 Rh3 156.85(4) . . ?
Cl7 In1 Rh3 101.22(4) 7_575 . ?
Cl6 In1 Rh3 101.61(5) . . ?
Rh2 In1 Rh3 59.67(2) . . ?
Cl7 In1 Rh3 101.22(4) . 7_575 ?
Cl7 In1 Rh3 156.85(4) 7_575 7_575 ?
Cl6 In1 Rh3 101.61(5) . 7_575 ?
Rh2 In1 Rh3 59.67(2) . 7_575 ?
Rh3 In1 Rh3 58.80(2) . 7_575 ?
C9 Rh2 C9 94.0(4) 7_575 . ?
C9 Rh2 C8 96.8(3) 7_575 . ?
C9 Rh2 C8 96.8(3) . . ?
C9 Rh2 Rh5 96.6(2) 7_575 7_575 ?
C9 Rh2 Rh5 148.1(2) . 7_575 ?
C8 Rh2 Rh5 52.10(19) . 7_575 ?
C9 Rh2 Rh5 148.1(2) 7_575 . ?
C9 Rh2 Rh5 96.6(2) . . ?
C8 Rh2 Rh5 52.10(19) . . ?
Rh5 Rh2 Rh5 60.20(3) 7_575 . ?
C9 Rh2 Rh3 97.2(2) 7_575 . ?
C9 Rh2 Rh3 148.2(2) . . ?
C8 Rh2 Rh3 111.2(2) . . ?
Rh5 Rh2 Rh3 59.500(19) 7_575 . ?
Rh5 Rh2 Rh3 89.39(3) . . ?
C9 Rh2 Rh3 148.2(2) 7_575 7_575 ?
C9 Rh2 Rh3 97.2(2) . 7_575 ?
C8 Rh2 Rh3 111.2(2) . 7_575 ?
Rh5 Rh2 Rh3 89.39(3) 7_575 7_575 ?
Rh5 Rh2 Rh3 59.499(19) . 7_575 ?
Rh3 Rh2 Rh3 59.40(3) . 7_575 ?
C9 Rh2 In1 89.87(19) 7_575 . ?
C9 Rh2 In1 89.87(19) . . ?
C8 Rh2 In1 170.2(2) . . ?
Rh5 Rh2 In1 120.08(3) 7_575 . ?
Rh5 Rh2 In1 120.08(3) . . ?
Rh3 Rh2 In1 60.58(2) . . ?
Rh3 Rh2 In1 60.58(2) 7_575 . ?
C1 Rh3 C2 93.7(3) . . ?
C1 Rh3 C3 97.3(3) . . ?
C2 Rh3 C3 97.3(3) . . ?
C1 Rh3 Rh4 147.2(2) . . ?
C2 Rh3 Rh4 96.7(2) . . ?
C3 Rh3 Rh4 50.54(18) . . ?
C1 Rh3 Rh5 97.0(2) . 7_575 ?
C2 Rh3 Rh5 148.7(2) . 7_575 ?
C3 Rh3 Rh5 52.20(17) . 7_575 ?
Rh4 Rh3 Rh5 59.85(2) . 7_575 ?
C1 Rh3 Rh3 149.8(2) . 7_575 ?
C2 Rh3 Rh3 95.8(2) . 7_575 ?
C3 Rh3 Rh3 109.71(18) . 7_575 ?
Rh4 Rh3 Rh3 59.461(13) . 7_575 ?
Rh5 Rh3 Rh3 89.454(15) 7_575 7_575 ?
C1 Rh3 Rh2 98.3(2) . . ?
C2 Rh3 Rh2 147.9(2) . . ?
C3 Rh3 Rh2 110.34(17) . . ?
Rh4 Rh3 Rh2 89.08(2) . . ?
Rh5 Rh3 Rh2 58.68(2) 7_575 . ?
Rh3 Rh3 Rh2 60.302(13) 7_575 . ?
C1 Rh3 In1 90.8(2) . . ?
C2 Rh3 In1 90.6(2) . . ?
C3 Rh3 In1 168.22(18) . . ?
Rh4 Rh3 In1 120.04(2) . . ?
Rh5 Rh3 In1 118.43(2) 7_575 . ?
Rh3 Rh3 In1 60.600(12) 7_575 . ?
Rh2 Rh3 In1 59.75(2) . . ?
C4 Rh4 C5 94.2(4) . . ?
C4 Rh4 C3 96.76(18) . . ?
C5 Rh4 C3 98.65(17) . . ?
C4 Rh4 C3 96.76(18) . 7_575 ?
C5 Rh4 C3 98.65(17) . 7_575 ?
C3 Rh4 C3 157.1(4) . 7_575 ?
C4 Rh4 Rh5 148.65(8) . . ?
C5 Rh4 Rh5 94.8(2) . . ?
C3 Rh4 Rh5 111.42(18) . . ?
C3 Rh4 Rh5 52.19(17) 7_575 . ?
C4 Rh4 Rh5 148.65(8) . 7_575 ?
C5 Rh4 Rh5 94.8(2) . 7_575 ?
C3 Rh4 Rh5 52.18(17) . 7_575 ?
C3 Rh4 Rh5 111.42(17) 7_575 7_575 ?
Rh5 Rh4 Rh5 59.88(3) . 7_575 ?
C4 Rh4 Rh3 98.0(2) . . ?
C5 Rh4 Rh3 146.88(10) . . ?
C3 Rh4 Rh3 49.46(17) . . ?
C3 Rh4 Rh3 110.25(17) 7_575 . ?
Rh5 Rh4 Rh3 90.59(3) . . ?
Rh5 Rh4 Rh3 60.203(19) 7_575 . ?
C4 Rh4 Rh3 98.0(2) . 7_575 ?
C5 Rh4 Rh3 146.88(10) . 7_575 ?
C3 Rh4 Rh3 110.25(17) . 7_575 ?
C3 Rh4 Rh3 49.46(17) 7_575 7_575 ?
Rh5 Rh4 Rh3 60.203(19) . 7_575 ?
Rh5 Rh4 Rh3 90.59(3) 7_575 7_575 ?
Rh3 Rh4 Rh3 61.08(3) . 7_575 ?
C7 Rh5 C6 93.8(3) . . ?
C7 Rh5 C8 99.4(3) . . ?
C6 Rh5 C8 99.1(3) . . ?
C7 Rh5 C3 95.7(3) . 7_575 ?
C6 Rh5 C3 98.9(3) . 7_575 ?
C8 Rh5 C3 155.6(3) . 7_575 ?
C7 Rh5 Rh2 96.3(2) . . ?
C6 Rh5 Rh2 147.9(2) . . ?
C8 Rh5 Rh2 49.1(2) . . ?
C3 Rh5 Rh2 110.30(17) 7_575 . ?
C7 Rh5 Rh5 149.8(2) . 7_575 ?
C6 Rh5 Rh5 98.4(2) . 7_575 ?
C8 Rh5 Rh5 51.43(15) . 7_575 ?
C3 Rh5 Rh5 109.52(18) 7_575 7_575 ?
Rh2 Rh5 Rh5 59.897(13) . 7_575 ?
C7 Rh5 Rh4 145.0(2) . . ?
C6 Rh5 Rh4 98.0(2) . . ?
C8 Rh5 Rh4 110.92(15) . . ?
C3 Rh5 Rh4 50.07(18) 7_575 . ?
Rh2 Rh5 Rh4 90.94(2) . . ?
Rh5 Rh5 Rh4 60.062(13) 7_575 . ?
C7 Rh5 Rh3 93.8(2) . 7_575 ?
C6 Rh5 Rh3 147.6(2) . 7_575 ?
C8 Rh5 Rh3 110.5(2) . 7_575 ?
C3 Rh5 Rh3 49.02(17) 7_575 7_575 ?
Rh2 Rh5 Rh3 61.82(2) . 7_575 ?
Rh5 Rh5 Rh3 90.546(15) 7_575 7_575 ?
Rh4 Rh5 Rh3 59.95(2) . 7_575 ?
O1 C1 Rh3 177.2(6) . . ?
O2 C2 Rh3 176.9(6) . . ?
O3 C3 Rh3 133.3(5) . . ?
O3 C3 Rh4 134.0(5) . . ?
Rh3 C3 Rh4 80.0(2) . . ?
O3 C3 Rh5 131.1(5) . 7_575 ?
Rh3 C3 Rh5 78.8(2) . 7_575 ?
Rh4 C3 Rh5 77.7(2) . 7_575 ?
O4 C4 Rh4 175.9(8) . . ?
O5 C5 Rh4 174.1(8) . . ?
O6 C6 Rh5 178.0(6) . . ?
O7 C7 Rh5 178.5(6) . . ?
O8 C8 Rh2 134.5(7) . . ?
O8 C8 Rh5 132.5(4) . 7_575 ?
Rh2 C8 Rh5 78.8(3) . 7_575 ?
O8 C8 Rh5 132.5(4) . . ?
Rh2 C8 Rh5 78.8(3) . . ?
Rh5 C8 Rh5 77.1(3) 7_575 . ?
O9 C9 Rh2 174.6(6) . . ?
C106 N1 C102 111.3(5) . . ?
C106 N1 C104 112.2(5) . . ?
C102 N1 C104 105.1(5) . . ?
C106 N1 C100 106.0(5) . . ?
C102 N1 C100 110.7(5) . . ?
C104 N1 C100 111.7(5) . . ?
C101 C100 N1 114.3(5) . . ?
C101 C100 H10A 108.7 . . ?
N1 C100 H10A 108.7 . . ?
C101 C100 H10B 108.7 . . ?
N1 C100 H10B 108.7 . . ?
H10A C100 H10B 107.6 . . ?
C100 C101 H10C 109.5 . . ?
C100 C101 H10D 109.5 . . ?
H10C C101 H10D 109.5 . . ?
C100 C101 H10E 109.5 . . ?
H10C C101 H10E 109.5 . . ?
H10D C101 H10E 109.5 . . ?
C103 C102 N1 115.2(6) . . ?
C103 C102 H10F 108.5 . . ?
N1 C102 H10F 108.5 . . ?
C103 C102 H10G 108.5 . . ?
N1 C102 H10G 108.5 . . ?
H10F C102 H10G 107.5 . . ?
C102 C103 H10H 109.5 . . ?
C102 C103 H10I 109.5 . . ?
H10H C103 H10I 109.5 . . ?
C102 C103 H10J 109.5 . . ?
H10H C103 H10J 109.5 . . ?
H10I C103 H10J 109.5 . . ?
C105 C104 N1 115.2(6) . . ?
C105 C104 H10K 108.5 . . ?
N1 C104 H10K 108.5 . . ?
C105 C104 H10L 108.5 . . ?
N1 C104 H10L 108.5 . . ?
H10K C104 H10L 107.5 . . ?
C104 C105 H10M 109.5 . . ?
C104 C105 H10N 109.5 . . ?
H10M C105 H10N 109.5 . . ?
C104 C105 H10O 109.5 . . ?
H10M C105 H10O 109.5 . . ?
H10N C105 H10O 109.5 . . ?
N1 C106 C107 115.5(6) . . ?
N1 C106 H10P 108.4 . . ?
C107 C106 H10P 108.4 . . ?
N1 C106 H10Q 108.4 . . ?
C107 C106 H10Q 108.4 . . ?
H10P C106 H10Q 107.5 . . ?
C106 C107 H10R 109.5 . . ?
C106 C107 H10S 109.5 . . ?
H10R C107 H10S 109.5 . . ?
C106 C107 H10T 109.5 . . ?
H10R C107 H10T 109.5 . . ?
H10S C107 H10T 109.5 . . ?
O200 C201 C203 121.7(13) . . ?
O200 C201 C202 120.8(12) . . ?
C203 C201 C202 117.5(11) . . ?
C201 C203 H20A 109.5 . . ?
C201 C203 H20B 109.5 . . ?
H20A C203 H20B 109.5 . . ?
C201 C203 H20C 109.5 . . ?
H20A C203 H20C 109.5 . . ?
H20B C203 H20C 109.5 . . ?
C201 C202 H20D 109.5 . . ?
C201 C202 H20E 109.5 . . ?
H20D C202 H20E 109.5 . . ?
C201 C202 H20F 109.5 . . ?
H20D C202 H20F 109.5 . . ?
H20E C202 H20F 109.5 . . ?

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
C106 N1 C100 C101 -179.6(6) . . . . ?
C102 N1 C100 C101 59.6(7) . . . . ?
C104 N1 C100 C101 -57.1(8) . . . . ?
C106 N1 C102 C103 -59.3(8) . . . . ?
C104 N1 C102 C103 179.0(6) . . . . ?
C100 N1 C102 C103 58.2(8) . . . . ?
C106 N1 C104 C105 58.7(8) . . . . ?
C102 N1 C104 C105 179.7(6) . . . . ?
C100 N1 C104 C105 -60.2(8) . . . . ?
C102 N1 C106 C107 -52.7(8) . . . . ?
C104 N1 C106 C107 64.7(8) . . . . ?
C100 N1 C106 C107 -173.1(6) . . . . ?

_refine_diff_density_max         1.181
_refine_diff_density_min         -1.302
_refine_diff_density_rms         0.184



####################################################################### 
# 
# 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_P21n
_database_code_depnum_ccdc_archive 'CCDC 2067539'
loop_
_audit_author_name
_audit_author_address
'Cristina Femoni'
;ALMA MATER STUDIORUM  University of Bologna
Italy
;
_audit_update_record             
;
2021-03-02 deposited with the CCDC.	2024-08-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C54 H60 Cl4 In2 N2 O34 Rh12'
_chemical_formula_weight         2887.40

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'
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'
Rh Rh -1.1178 0.9187 '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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   17.3907(18)
_cell_length_b                   10.0530(11)
_cell_length_c                   22.894(2)
_cell_angle_alpha                90
_cell_angle_beta                 95.836(3)
_cell_angle_gamma                90
_cell_volume                     3981.8(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    76(2)
_cell_measurement_reflns_used    9964
_cell_measurement_theta_min      2.215
_cell_measurement_theta_max      31.540

_exptl_crystal_description       PRISMATIC
_exptl_crystal_colour            BLACK
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.408
_exptl_crystal_F_000             2752
_exptl_transmission_factor_min   0.530
_exptl_transmission_factor_max   0.620
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.150
_exptl_absorpt_coefficient_mu    3.197
_shelx_estimated_absorpt_T_min   0.567
_shelx_estimated_absorpt_T_max   0.646
_exptl_absorpt_correction_type   'EMPIRICAL SADABS'
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      76(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'CMOS AREA DETECTOR'
_diffrn_measurement_method       'OMEGA SCANS'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            46627
_diffrn_reflns_av_unetI/netI     0.0488
_diffrn_reflns_av_R_equivalents  0.0801
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         1.549
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_full        24.999
_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             7002
_reflns_number_gt                5621
_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-2014/7 (Sheldrick, 2014)'
_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)+(0.0456P)²+87.3920P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7002
_refine_ls_number_parameters     497
_refine_ls_number_restraints     199
_refine_ls_R_factor_all          0.0801
_refine_ls_R_factor_gt           0.0611
_refine_ls_wR_factor_ref         0.1326
_refine_ls_wR_factor_gt          0.1255
_refine_ls_goodness_of_fit_ref   1.144
_refine_ls_restrained_S_all      1.139
_refine_ls_shift/su_max          0.001
_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 0.11250(4) 0.52697(8) 0.50374(3) 0.01144(19) Uani 1 1 d . . . . .
Rh2 Rh 0.22328(5) 0.69270(8) 0.46497(4) 0.0093(2) Uani 1 1 d . . . . .
Rh3 Rh 0.15532(5) 0.49420(8) 0.38903(4) 0.0098(2) Uani 1 1 d . . . . .
Rh4 Rh 0.25615(5) 0.41930(8) 0.48658(4) 0.0096(2) Uani 1 1 d . . . . .
Rh5 Rh 0.26773(5) 0.66225(8) 0.35421(4) 0.0101(2) Uani 1 1 d . . . . .
Rh6 Rh 0.36634(5) 0.58778(8) 0.45088(4) 0.0098(2) Uani 1 1 d . . . . .
Rh7 Rh 0.30082(5) 0.39708(8) 0.37521(4) 0.0098(2) Uani 1 1 d . . . . .
Cl8 Cl 0.01755(14) 0.3309(3) 0.51497(12) 0.0122(6) Uani 1 1 d . . . . .
Cl9 Cl 0.11316(16) 0.5746(3) 0.61126(12) 0.0178(6) Uani 1 1 d . . . . .
C1 C 0.2186(7) 0.2431(12) 0.4911(5) 0.019(2) Uani 1 1 d . U . . .
O1 O 0.1992(5) 0.1364(9) 0.4936(4) 0.029(2) Uani 1 1 d . U . . .
C2 C 0.1033(6) 0.3291(12) 0.3815(5) 0.019(2) Uani 1 1 d . U . . .
O2 O 0.0752(5) 0.2284(9) 0.3752(4) 0.0255(19) Uani 1 1 d . U . . .
C3 C 0.2118(6) 0.4839(12) 0.3098(5) 0.016(2) Uani 1 1 d . U . . .
O3 O 0.1923(4) 0.4633(8) 0.2614(3) 0.0191(17) Uani 1 1 d . U . . .
C4 C 0.3876(6) 0.3849(12) 0.3316(5) 0.016(2) Uani 1 1 d . U . . .
O4 O 0.4435(4) 0.3764(9) 0.3097(3) 0.0229(19) Uani 1 1 d . U . . .
C5 C 0.3419(7) 0.6830(12) 0.2982(5) 0.020(2) Uani 1 1 d . U . . .
O5 O 0.3839(5) 0.6890(9) 0.2648(4) 0.031(2) Uani 1 1 d . U . . .
C6 C 0.4589(6) 0.6138(11) 0.4144(5) 0.015(2) Uani 1 1 d . U . . .
O6 O 0.5119(5) 0.6344(8) 0.3914(4) 0.0236(18) Uani 1 1 d . U . . .
C7 C 0.3173(6) 0.7870(11) 0.4271(5) 0.013(2) Uani 1 1 d . U . . .
O7 O 0.3436(4) 0.8924(8) 0.4317(4) 0.0209(18) Uani 1 1 d . U . . .
C8 C 0.4104(6) 0.6347(11) 0.5277(5) 0.012(2) Uani 1 1 d . U . . .
O8 O 0.4338(4) 0.6565(9) 0.5743(3) 0.0219(18) Uani 1 1 d . U . . .
C9 C 0.2484(6) 0.7531(11) 0.5430(5) 0.012(2) Uani 1 1 d . U . . .
O9 O 0.2647(5) 0.7928(9) 0.5885(4) 0.0236(18) Uani 1 1 d . U . . .
C10 C 0.2901(6) 0.4361(12) 0.5673(5) 0.019(2) Uani 1 1 d . U . . .
O10 O 0.3134(5) 0.4426(10) 0.6147(4) 0.030(2) Uani 1 1 d . U . . .
C11 C 0.3679(6) 0.3714(11) 0.4617(5) 0.011(2) Uani 1 1 d . U . . .
O11 O 0.4154(4) 0.2933(8) 0.4790(3) 0.0156(17) Uani 1 1 d . U . . .
C12 C 0.2701(7) 0.2179(12) 0.3612(5) 0.017(2) Uani 1 1 d . U . . .
O12 O 0.2505(5) 0.1099(9) 0.3522(4) 0.029(2) Uani 1 1 d . U . . .
C13 C 0.0690(6) 0.5921(12) 0.3562(5) 0.019(2) Uani 1 1 d . U . . .
O13 O 0.0208(5) 0.6558(9) 0.3343(4) 0.027(2) Uani 1 1 d . U . . .
C14 C 0.1471(6) 0.8248(11) 0.4453(5) 0.014(2) Uani 1 1 d . U . . .
O14 O 0.1033(4) 0.9056(8) 0.4323(4) 0.0188(17) Uani 1 1 d . U . . .
C15 C 0.1989(7) 0.7964(11) 0.3204(5) 0.014(2) Uani 1 1 d . U . . .
O15 O 0.1576(5) 0.8742(8) 0.3012(3) 0.0214(18) Uani 1 1 d . U . . .
N1 N 0.6243(5) 0.4719(9) 0.1883(4) 0.015(2) Uani 1 1 d D U . . .
C100 C 0.5567(7) 0.4761(14) 0.1413(5) 0.031(3) Uani 1 1 d D U . . .
H10A H 0.5117 0.5150 0.1583 0.037 Uiso 1 1 calc R U . . .
H10B H 0.5431 0.3838 0.1293 0.037 Uiso 1 1 calc R U . . .
C101 C 0.5713(8) 0.5555(13) 0.0869(5) 0.029(3) Uani 1 1 d D U . . .
H10C H 0.5241 0.5576 0.0597 0.044 Uiso 1 1 calc R U . . .
H10D H 0.6129 0.5135 0.0677 0.044 Uiso 1 1 calc R U . . .
H10E H 0.5863 0.6466 0.0983 0.044 Uiso 1 1 calc R U . . .
C102 C 0.6953(7) 0.4281(13) 0.1646(6) 0.032(3) Uani 1 1 d D U . . .
H10F H 0.7383 0.4307 0.1965 0.039 Uiso 1 1 calc DR U . . .
H10G H 0.7077 0.4917 0.1339 0.039 Uiso 1 1 calc R U . . .
C103 C 0.6902(14) 0.2877(15) 0.1382(7) 0.081(7) Uani 1 1 d D U . . .
H10H H 0.7421 0.2573 0.1314 0.121 Uiso 1 1 calc R U . . .
H10I H 0.6572 0.2892 0.1009 0.121 Uiso 1 1 calc R U . . .
H10J H 0.6683 0.2268 0.1656 0.121 Uiso 1 1 calc R U . . .
C104 C 0.6014(7) 0.3768(14) 0.2335(5) 0.034(3) Uani 1 1 d D U . . .
H10K H 0.5869 0.2912 0.2140 0.041 Uiso 1 1 calc R U . . .
H10L H 0.5549 0.4120 0.2498 0.041 Uiso 1 1 calc R U . . .
C105 C 0.6635(10) 0.3504(16) 0.2839(6) 0.051(5) Uani 1 1 d D U . . .
H10M H 0.6408 0.3026 0.3153 0.077 Uiso 1 1 calc R U . . .
H10N H 0.6849 0.4352 0.2991 0.077 Uiso 1 1 calc R U . . .
H10O H 0.7048 0.2965 0.2698 0.077 Uiso 1 1 calc R U . . .
C106 C 0.6409(8) 0.6075(12) 0.2118(6) 0.032(3) Uani 1 1 d D U . . .
H10P H 0.6522 0.6659 0.1789 0.039 Uiso 1 1 calc R U . . .
H10Q H 0.6882 0.6036 0.2397 0.039 Uiso 1 1 calc R U . . .
C107 C 0.5763(12) 0.671(2) 0.2429(7) 0.082(8) Uani 1 1 d D U . . .
H10R H 0.5678 0.7628 0.2288 0.123 Uiso 1 1 calc R U . . .
H10S H 0.5912 0.6723 0.2853 0.123 Uiso 1 1 calc DR U . . .
H10T H 0.5286 0.6200 0.2344 0.123 Uiso 1 1 calc R U . . .
O200 O 0.0353(9) 0.5131(16) 0.9238(7) 0.088(4) Uani 1 1 d . U . . .
C201 C -0.0177(12) 0.443(2) 0.8770(9) 0.078(4) Uani 1 1 d . U . . .
H20A H -0.0007 0.3504 0.8715 0.094 Uiso 1 1 calc R U . . .
H20B H -0.0716 0.4424 0.8873 0.094 Uiso 1 1 calc R U . . .
C202 C -0.0112(12) 0.518(2) 0.8273(9) 0.080(4) Uani 1 1 d . U . . .
H20C H -0.0436 0.5990 0.8276 0.096 Uiso 1 1 calc R U . . .
H20D H -0.0280 0.4660 0.7916 0.096 Uiso 1 1 calc R U . . .
C203 C 0.0662(10) 0.552(2) 0.8283(8) 0.065(4) Uani 1 1 d . U . . .
H20E H 0.0710 0.6398 0.8090 0.077 Uiso 1 1 calc R U . . .
H20F H 0.0935 0.4853 0.8063 0.077 Uiso 1 1 calc R U . . .
C204 C 0.1000(11) 0.559(2) 0.8867(9) 0.068(4) Uani 1 1 d . U . . .
H20G H 0.1166 0.6507 0.8972 0.081 Uiso 1 1 calc R U . . .
H20H H 0.1453 0.4990 0.8928 0.081 Uiso 1 1 calc R U . . .
O300 O 0.1583(9) 0.4680(16) 0.7410(6) 0.086(5) Uani 1 1 d D . . . .
H300 H 0.162(12) 0.50(2) 0.705(4) 0.129 Uiso 1 1 d D U . . .
H301 H 0.202(5) 0.432(6) 0.755(7) 0.129 Uiso 1 1 d 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
In1 Cl9 2.507(3) . ?
In1 Cl8 2.601(3) . ?
In1 Cl8 2.673(3) 3_566 ?
In1 Rh2 2.7610(11) . ?
In1 Rh4 2.7868(11) . ?
In1 Rh3 2.8210(12) . ?
Rh2 C9 1.896(11) . ?
Rh2 C14 1.897(12) . ?
Rh2 C7 2.148(10) . ?
Rh2 Rh5 2.7421(12) . ?
Rh2 Rh6 2.7513(12) . ?
Rh2 Rh3 2.8254(12) . ?
Rh2 Rh4 2.8405(12) . ?
Rh3 C13 1.886(12) . ?
Rh3 C2 1.890(12) . ?
Rh3 C3 2.152(12) . ?
Rh3 Rh7 2.7601(12) . ?
Rh3 Rh5 2.7618(12) . ?
Rh3 Rh4 2.7988(12) . ?
Rh4 C10 1.890(12) . ?
Rh4 C1 1.895(12) . ?
Rh4 C11 2.135(10) . ?
Rh4 Rh6 2.7437(12) . ?
Rh4 Rh7 2.7492(12) . ?
Rh5 C15 1.914(12) . ?
Rh5 C5 1.919(12) . ?
Rh5 C7 2.192(11) . ?
Rh5 C3 2.234(12) . ?
Rh5 Rh7 2.7589(12) . ?
Rh5 Rh6 2.7618(12) . ?
Rh6 C8 1.905(11) . ?
Rh6 C6 1.906(12) . ?
Rh6 C11 2.189(11) . ?
Rh6 C7 2.222(11) . ?
Rh6 Rh7 2.7520(12) . ?
Rh7 C12 1.897(12) . ?
Rh7 C4 1.897(11) . ?
Rh7 C11 2.209(11) . ?
Rh7 C3 2.220(11) . ?
Cl8 In1 2.673(3) 3_566 ?
C1 O1 1.127(14) . ?
C2 O2 1.127(14) . ?
C3 O3 1.145(13) . ?
C4 O4 1.140(13) . ?
C5 O5 1.113(14) . ?
C6 O6 1.126(13) . ?
C7 O7 1.155(13) . ?
C8 O8 1.123(13) . ?
C9 O9 1.124(13) . ?
C10 O10 1.121(14) . ?
C11 O11 1.178(12) . ?
C12 O12 1.150(14) . ?
C13 O13 1.130(14) . ?
C14 O14 1.133(13) . ?
C15 O15 1.120(13) . ?
N1 C102 1.466(12) . ?
N1 C106 1.483(12) . ?
N1 C104 1.492(12) . ?
N1 C100 1.512(12) . ?
C100 C101 1.522(13) . ?
C100 H10A 0.9900 . ?
C100 H10B 0.9900 . ?
C101 H10C 0.9800 . ?
C101 H10D 0.9800 . ?
C101 H10E 0.9800 . ?
C102 C103 1.535(15) . ?
C102 H10F 0.9900 . ?
C102 H10G 0.9900 . ?
C103 H10H 0.9800 . ?
C103 H10I 0.9800 . ?
C103 H10J 0.9800 . ?
C104 C105 1.523(14) . ?
C104 H10K 0.9900 . ?
C104 H10L 0.9900 . ?
C105 H10M 0.9800 . ?
C105 H10N 0.9800 . ?
C105 H10O 0.9800 . ?
C106 C107 1.531(15) . ?
C106 H10P 0.9900 . ?
C106 H10Q 0.9900 . ?
C107 H10R 0.9800 . ?
C107 H10S 0.9800 . ?
C107 H10T 0.9800 . ?
O200 C201 1.51(2) . ?
O200 C204 1.55(2) . ?
C201 C202 1.38(3) . ?
C201 H20A 0.9900 . ?
C201 H20B 0.9900 . ?
C202 C203 1.39(2) . ?
C202 H20C 0.9900 . ?
C202 H20D 0.9900 . ?
C203 C204 1.41(2) . ?
C203 H20E 0.9900 . ?
C203 H20F 0.9900 . ?
C204 H20G 0.9900 . ?
C204 H20H 0.9900 . ?
O300 H300 0.87(2) . ?
O300 H301 0.87(2) . ?

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
Cl9 In1 Cl8 89.27(9) . . ?
Cl9 In1 Cl8 88.54(9) . 3_566 ?
Cl8 In1 Cl8 83.43(9) . 3_566 ?
Cl9 In1 Rh2 105.47(7) . . ?
Cl8 In1 Rh2 163.72(7) . . ?
Cl8 In1 Rh2 103.45(6) 3_566 . ?
Cl9 In1 Rh4 107.33(7) . . ?
Cl8 In1 Rh4 107.87(6) . . ?
Cl8 In1 Rh4 160.25(7) 3_566 . ?
Rh2 In1 Rh4 61.59(3) . . ?
Cl9 In1 Rh3 164.00(7) . . ?
Cl8 In1 Rh3 103.53(6) . . ?
Cl8 In1 Rh3 102.26(6) 3_566 . ?
Rh2 In1 Rh3 60.81(3) . . ?
Rh4 In1 Rh3 59.88(3) . . ?
C9 Rh2 C14 95.1(5) . . ?
C9 Rh2 C7 97.3(4) . . ?
C14 Rh2 C7 97.9(4) . . ?
C9 Rh2 Rh5 148.0(3) . . ?
C14 Rh2 Rh5 96.5(3) . . ?
C7 Rh2 Rh5 51.5(3) . . ?
C9 Rh2 Rh6 96.2(3) . . ?
C14 Rh2 Rh6 149.1(3) . . ?
C7 Rh2 Rh6 52.2(3) . . ?
Rh5 Rh2 Rh6 60.36(3) . . ?
C9 Rh2 In1 89.5(3) . . ?
C14 Rh2 In1 90.3(3) . . ?
C7 Rh2 In1 168.8(3) . . ?
Rh5 Rh2 In1 120.10(4) . . ?
Rh6 Rh2 In1 118.37(4) . . ?
C9 Rh2 Rh3 148.0(3) . . ?
C14 Rh2 Rh3 96.3(3) . . ?
C7 Rh2 Rh3 110.5(3) . . ?
Rh5 Rh2 Rh3 59.46(3) . . ?
Rh6 Rh2 Rh3 89.07(3) . . ?
In1 Rh2 Rh3 60.65(3) . . ?
C9 Rh2 Rh4 97.0(3) . . ?
C14 Rh2 Rh4 147.4(3) . . ?
C7 Rh2 Rh4 110.4(3) . . ?
Rh5 Rh2 Rh4 88.99(3) . . ?
Rh6 Rh2 Rh4 58.74(3) . . ?
In1 Rh2 Rh4 59.65(3) . . ?
Rh3 Rh2 Rh4 59.20(3) . . ?
C13 Rh3 C2 93.9(5) . . ?
C13 Rh3 C3 95.9(5) . . ?
C2 Rh3 C3 97.8(5) . . ?
C13 Rh3 Rh7 147.2(4) . . ?
C2 Rh3 Rh7 96.6(3) . . ?
C3 Rh3 Rh7 52.0(3) . . ?
C13 Rh3 Rh5 97.1(4) . . ?
C2 Rh3 Rh5 149.0(3) . . ?
C3 Rh3 Rh5 52.3(3) . . ?
Rh7 Rh3 Rh5 59.95(3) . . ?
C13 Rh3 Rh4 150.1(4) . . ?
C2 Rh3 Rh4 95.3(4) . . ?
C3 Rh3 Rh4 110.9(3) . . ?
Rh7 Rh3 Rh4 59.28(3) . . ?
Rh5 Rh3 Rh4 89.45(3) . . ?
C13 Rh3 In1 92.0(4) . . ?
C2 Rh3 In1 91.1(3) . . ?
C3 Rh3 In1 167.7(3) . . ?
Rh7 Rh3 In1 118.68(4) . . ?
Rh5 Rh3 In1 117.32(4) . . ?
Rh4 Rh3 In1 59.46(3) . . ?
C13 Rh3 Rh2 98.2(4) . . ?
C2 Rh3 Rh2 147.5(4) . . ?
C3 Rh3 Rh2 110.8(3) . . ?
Rh7 Rh3 Rh2 89.39(3) . . ?
Rh5 Rh3 Rh2 58.77(3) . . ?
Rh4 Rh3 Rh2 60.67(3) . . ?
In1 Rh3 Rh2 58.55(3) . . ?
C10 Rh4 C1 96.0(5) . . ?
C10 Rh4 C11 94.5(4) . . ?
C1 Rh4 C11 97.6(4) . . ?
C10 Rh4 Rh6 94.5(4) . . ?
C1 Rh4 Rh6 148.1(3) . . ?
C11 Rh4 Rh6 51.5(3) . . ?
C10 Rh4 Rh7 145.5(3) . . ?
C1 Rh4 Rh7 96.1(3) . . ?
C11 Rh4 Rh7 51.9(3) . . ?
Rh6 Rh4 Rh7 60.13(3) . . ?
C10 Rh4 In1 91.3(3) . . ?
C1 Rh4 In1 92.1(4) . . ?
C11 Rh4 In1 168.1(3) . . ?
Rh6 Rh4 In1 117.74(4) . . ?
Rh7 Rh4 In1 120.28(4) . . ?
C10 Rh4 Rh3 149.8(4) . . ?
C1 Rh4 Rh3 95.9(4) . . ?
C11 Rh4 Rh3 111.2(3) . . ?
Rh6 Rh4 Rh3 89.77(3) . . ?
Rh7 Rh4 Rh3 59.66(3) . . ?
In1 Rh4 Rh3 60.67(3) . . ?
C10 Rh4 Rh2 97.0(4) . . ?
C1 Rh4 Rh2 148.2(4) . . ?
C11 Rh4 Rh2 110.1(3) . . ?
Rh6 Rh4 Rh2 59.01(3) . . ?
Rh7 Rh4 Rh2 89.30(3) . . ?
In1 Rh4 Rh2 58.76(3) . . ?
Rh3 Rh4 Rh2 60.13(3) . . ?
C15 Rh5 C5 95.1(5) . . ?
C15 Rh5 C7 94.9(4) . . ?
C5 Rh5 C7 101.9(5) . . ?
C15 Rh5 C3 99.0(4) . . ?
C5 Rh5 C3 94.2(5) . . ?
C7 Rh5 C3 157.6(4) . . ?
C15 Rh5 Rh2 94.1(3) . . ?
C5 Rh5 Rh2 151.3(4) . . ?
C7 Rh5 Rh2 50.1(3) . . ?
C3 Rh5 Rh2 111.1(3) . . ?
C15 Rh5 Rh7 149.5(3) . . ?
C5 Rh5 Rh7 94.5(4) . . ?
C7 Rh5 Rh7 111.2(3) . . ?
C3 Rh5 Rh7 51.5(3) . . ?
Rh2 Rh5 Rh7 91.16(3) . . ?
C15 Rh5 Rh6 145.8(3) . . ?
C5 Rh5 Rh6 99.2(3) . . ?
C7 Rh5 Rh6 51.8(3) . . ?
C3 Rh5 Rh6 110.7(3) . . ?
Rh2 Rh5 Rh6 59.98(3) . . ?
Rh7 Rh5 Rh6 59.80(3) . . ?
C15 Rh5 Rh3 96.6(3) . . ?
C5 Rh5 Rh3 143.4(4) . . ?
C7 Rh5 Rh3 111.4(3) . . ?
C3 Rh5 Rh3 49.7(3) . . ?
Rh2 Rh5 Rh3 61.77(3) . . ?
Rh7 Rh5 Rh3 59.99(3) . . ?
Rh6 Rh5 Rh3 90.17(3) . . ?
C8 Rh6 C6 95.3(5) . . ?
C8 Rh6 C11 98.2(4) . . ?
C6 Rh6 C11 100.7(4) . . ?
C8 Rh6 C7 96.4(4) . . ?
C6 Rh6 C7 95.1(4) . . ?
C11 Rh6 C7 157.4(4) . . ?
C8 Rh6 Rh4 96.0(3) . . ?
C6 Rh6 Rh4 149.6(3) . . ?
C11 Rh6 Rh4 49.7(3) . . ?
C7 Rh6 Rh4 111.5(3) . . ?
C8 Rh6 Rh2 94.6(3) . . ?
C6 Rh6 Rh2 144.4(3) . . ?
C11 Rh6 Rh2 111.6(3) . . ?
C7 Rh6 Rh2 49.8(3) . . ?
Rh4 Rh6 Rh2 62.25(3) . . ?
C8 Rh6 Rh7 148.8(3) . . ?
C6 Rh6 Rh7 97.7(3) . . ?
C11 Rh6 Rh7 51.6(3) . . ?
C7 Rh6 Rh7 110.4(3) . . ?
Rh4 Rh6 Rh7 60.03(3) . . ?
Rh2 Rh6 Rh7 91.11(3) . . ?
C8 Rh6 Rh5 146.2(3) . . ?
C6 Rh6 Rh5 95.5(3) . . ?
C11 Rh6 Rh5 111.1(3) . . ?
C7 Rh6 Rh5 50.8(3) . . ?
Rh4 Rh6 Rh5 90.60(3) . . ?
Rh2 Rh6 Rh5 59.65(3) . . ?
Rh7 Rh6 Rh5 60.05(3) . . ?
C12 Rh7 C4 94.3(5) . . ?
C12 Rh7 C11 98.9(4) . . ?
C4 Rh7 C11 95.1(4) . . ?
C12 Rh7 C3 95.4(5) . . ?
C4 Rh7 C3 102.0(5) . . ?
C11 Rh7 C3 156.8(4) . . ?
C12 Rh7 Rh4 97.7(3) . . ?
C4 Rh7 Rh4 144.0(3) . . ?
C11 Rh7 Rh4 49.6(3) . . ?
C3 Rh7 Rh4 110.5(3) . . ?
C12 Rh7 Rh6 149.3(3) . . ?
C4 Rh7 Rh6 94.3(3) . . ?
C11 Rh7 Rh6 50.9(3) . . ?
C3 Rh7 Rh6 111.5(3) . . ?
Rh4 Rh7 Rh6 59.83(3) . . ?
C12 Rh7 Rh5 146.9(3) . . ?
C4 Rh7 Rh5 97.7(4) . . ?
C11 Rh7 Rh5 110.5(3) . . ?
C3 Rh7 Rh5 52.0(3) . . ?
Rh4 Rh7 Rh5 90.54(3) . . ?
Rh6 Rh7 Rh5 60.15(3) . . ?
C12 Rh7 Rh3 96.3(3) . . ?
C4 Rh7 Rh3 150.6(4) . . ?
C11 Rh7 Rh3 110.2(3) . . ?
C3 Rh7 Rh3 49.8(3) . . ?
Rh4 Rh7 Rh3 61.06(3) . . ?
Rh6 Rh7 Rh3 90.41(3) . . ?
Rh5 Rh7 Rh3 60.06(3) . . ?
In1 Cl8 In1 96.57(9) . 3_566 ?
O1 C1 Rh4 177.1(11) . . ?
O2 C2 Rh3 176.4(10) . . ?
O3 C3 Rh3 135.2(9) . . ?
O3 C3 Rh7 134.4(9) . . ?
Rh3 C3 Rh7 78.3(4) . . ?
O3 C3 Rh5 131.2(9) . . ?
Rh3 C3 Rh5 78.0(4) . . ?
Rh7 C3 Rh5 76.5(4) . . ?
O4 C4 Rh7 174.3(10) . . ?
O5 C5 Rh5 176.6(12) . . ?
O6 C6 Rh6 176.6(10) . . ?
O7 C7 Rh2 132.7(9) . . ?
O7 C7 Rh5 135.7(9) . . ?
Rh2 C7 Rh5 78.4(3) . . ?
O7 C7 Rh6 131.7(8) . . ?
Rh2 C7 Rh6 78.0(4) . . ?
Rh5 C7 Rh6 77.5(4) . . ?
O8 C8 Rh6 175.9(10) . . ?
O9 C9 Rh2 177.4(10) . . ?
O10 C10 Rh4 176.6(11) . . ?
O11 C11 Rh4 133.4(8) . . ?
O11 C11 Rh6 134.5(8) . . ?
Rh4 C11 Rh6 78.8(4) . . ?
O11 C11 Rh7 131.8(8) . . ?
Rh4 C11 Rh7 78.5(4) . . ?
Rh6 C11 Rh7 77.5(3) . . ?
O12 C12 Rh7 179.0(11) . . ?
O13 C13 Rh3 175.0(11) . . ?
O14 C14 Rh2 177.7(10) . . ?
O15 C15 Rh5 178.8(10) . . ?
C102 N1 C106 105.7(9) . . ?
C102 N1 C104 111.0(10) . . ?
C106 N1 C104 113.3(10) . . ?
C102 N1 C100 111.6(9) . . ?
C106 N1 C100 110.0(9) . . ?
C104 N1 C100 105.5(8) . . ?
N1 C100 C101 114.5(10) . . ?
N1 C100 H10A 108.6 . . ?
C101 C100 H10A 108.6 . . ?
N1 C100 H10B 108.6 . . ?
C101 C100 H10B 108.6 . . ?
H10A C100 H10B 107.6 . . ?
C100 C101 H10C 109.5 . . ?
C100 C101 H10D 109.5 . . ?
H10C C101 H10D 109.5 . . ?
C100 C101 H10E 109.5 . . ?
H10C C101 H10E 109.5 . . ?
H10D C101 H10E 109.5 . . ?
N1 C102 C103 113.9(12) . . ?
N1 C102 H10F 108.8 . . ?
C103 C102 H10F 108.8 . . ?
N1 C102 H10G 108.8 . . ?
C103 C102 H10G 108.8 . . ?
H10F C102 H10G 107.7 . . ?
C102 C103 H10H 109.5 . . ?
C102 C103 H10I 109.5 . . ?
H10H C103 H10I 109.5 . . ?
C102 C103 H10J 109.5 . . ?
H10H C103 H10J 109.5 . . ?
H10I C103 H10J 109.5 . . ?
N1 C104 C105 114.7(10) . . ?
N1 C104 H10K 108.6 . . ?
C105 C104 H10K 108.6 . . ?
N1 C104 H10L 108.6 . . ?
C105 C104 H10L 108.6 . . ?
H10K C104 H10L 107.6 . . ?
C104 C105 H10M 109.5 . . ?
C104 C105 H10N 109.5 . . ?
H10M C105 H10N 109.5 . . ?
C104 C105 H10O 109.5 . . ?
H10M C105 H10O 109.5 . . ?
H10N C105 H10O 109.5 . . ?
N1 C106 C107 115.4(13) . . ?
N1 C106 H10P 108.4 . . ?
C107 C106 H10P 108.4 . . ?
N1 C106 H10Q 108.4 . . ?
C107 C106 H10Q 108.4 . . ?
H10P C106 H10Q 107.5 . . ?
C106 C107 H10R 109.5 . . ?
C106 C107 H10S 109.5 . . ?
H10R C107 H10S 109.5 . . ?
C106 C107 H10T 109.5 . . ?
H10R C107 H10T 109.5 . . ?
H10S C107 H10T 109.5 . . ?
C201 O200 C204 100.1(15) . . ?
C202 C201 O200 103.5(18) . . ?
C202 C201 H20A 111.1 . . ?
O200 C201 H20A 111.1 . . ?
C202 C201 H20B 111.1 . . ?
O200 C201 H20B 111.1 . . ?
H20A C201 H20B 109.0 . . ?
C201 C202 C203 106.5(18) . . ?
C201 C202 H20C 110.4 . . ?
C203 C202 H20C 110.4 . . ?
C201 C202 H20D 110.4 . . ?
C203 C202 H20D 110.4 . . ?
H20C C202 H20D 108.6 . . ?
C202 C203 C204 109.6(16) . . ?
C202 C203 H20E 109.7 . . ?
C204 C203 H20E 109.7 . . ?
C202 C203 H20F 109.7 . . ?
C204 C203 H20F 109.7 . . ?
H20E C203 H20F 108.2 . . ?
C203 C204 O200 104.6(15) . . ?
C203 C204 H20G 110.8 . . ?
O200 C204 H20G 110.8 . . ?
C203 C204 H20H 110.8 . . ?
O200 C204 H20H 110.8 . . ?
H20G C204 H20H 108.9 . . ?
H300 O300 H301 109(5) . . ?

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
C102 N1 C100 C101 -52.5(15) . . . . ?
C106 N1 C100 C101 64.3(14) . . . . ?
C104 N1 C100 C101 -173.2(12) . . . . ?
C106 N1 C102 C103 179.6(12) . . . . ?
C104 N1 C102 C103 56.5(15) . . . . ?
C100 N1 C102 C103 -60.9(15) . . . . ?
C102 N1 C104 C105 55.5(15) . . . . ?
C106 N1 C104 C105 -63.2(15) . . . . ?
C100 N1 C104 C105 176.5(12) . . . . ?
C102 N1 C106 C107 -176.1(12) . . . . ?
C104 N1 C106 C107 -54.4(15) . . . . ?
C100 N1 C106 C107 63.4(14) . . . . ?
C204 O200 C201 C202 -35(2) . . . . ?
O200 C201 C202 C203 40(3) . . . . ?
C201 C202 C203 C204 -28(3) . . . . ?
C202 C203 C204 O200 4(3) . . . . ?
C201 O200 C204 C203 19(2) . . . . ?

_refine_diff_density_max         1.604
_refine_diff_density_min         -1.955
_refine_diff_density_rms         0.308



####################################################################### 
# 
# 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_Pnma_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2067538'
loop_
_audit_author_name
_audit_author_address
'Cristina Femoni'
;ALMA MATER STUDIORUM  University of Bologna
Italy
;
_audit_update_record             
;
2021-03-02 deposited with the CCDC.	2024-08-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C33 H43 Cl3 In N3 O15 Rh6'
_chemical_formula_weight         1560.33

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'
Rh Rh -1.1178 0.9187 '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      orthorhombic
_space_group_IT_number           62
_space_group_name_H-M_alt        'P n m a'
_space_group_name_Hall           '-P 2ac 2n'

_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+1/2, -y, z+1/2'
'-x, y+1/2, -z'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z'
'-x-1/2, y-1/2, z-1/2'

_cell_length_a                   19.6586(11)
_cell_length_b                   18.1826(10)
_cell_length_c                   13.5943(7)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     4859.2(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    77(2)
_cell_measurement_reflns_used    9053
_cell_measurement_theta_min      2.469
_cell_measurement_theta_max      35.067

_exptl_crystal_description       PRISMATIC
_exptl_crystal_colour            BLACK
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.133
_exptl_crystal_F_000             3008
_exptl_transmission_factor_min   0.510
_exptl_transmission_factor_max   0.650
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.160
_exptl_absorpt_coefficient_mu    2.680
_shelx_estimated_absorpt_T_min   0.554
_shelx_estimated_absorpt_T_max   0.674
_exptl_absorpt_correction_type   'EMPIRICAL SADABS'
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      77(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'CMOS AREA DETECTOR'
_diffrn_measurement_method       'OMEGA SCANS'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            55592
_diffrn_reflns_av_unetI/netI     0.0085
_diffrn_reflns_av_R_equivalents  0.0188
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         2.138
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measured_fraction_theta_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_point_group_measured_fraction_full 0.993
_reflns_number_total             4395
_reflns_number_gt                4307
_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-2014/7 (Sheldrick, 2014)'
_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)+(0.0156P)²+7.5242P] 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         4395
_refine_ls_number_parameters     300
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0190
_refine_ls_R_factor_gt           0.0184
_refine_ls_wR_factor_ref         0.0452
_refine_ls_wR_factor_gt          0.0449
_refine_ls_goodness_of_fit_ref   1.367
_refine_ls_restrained_S_all      1.367
_refine_ls_shift/su_max          0.002
_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
Rh1 Rh 0.50127(2) 0.67432(2) 0.53001(2) 0.00734(6) Uani 1 1 d . . . . .
Rh2 Rh 0.41290(2) 0.7500 0.65051(2) 0.00715(7) Uani 1 2 d S T P . .
Rh3 Rh 0.61046(2) 0.7500 0.60585(2) 0.00715(7) Uani 1 2 d S T P . .
Rh4 Rh 0.52003(2) 0.82708(2) 0.73115(2) 0.00723(6) Uani 1 1 d . . . . .
In5 In 0.63315(2) 0.7500 0.81192(2) 0.00825(7) Uani 1 2 d S T P . .
Cl1 Cl 0.60345(5) 0.7500 0.99211(6) 0.01269(18) Uani 1 2 d S T P . .
Cl2 Cl 0.71806(3) 0.85153(3) 0.82951(4) 0.01082(13) Uani 1 1 d . . . . .
C1 C 0.67593(13) 0.82520(15) 0.5902(2) 0.0137(6) Uani 1 1 d . . . . .
O1 O 0.71508(10) 0.86998(11) 0.57402(15) 0.0215(4) Uani 1 1 d . . . . .
C2 C 0.57413(18) 0.7500 0.4595(3) 0.0114(8) Uani 1 2 d S T P . .
O2 O 0.59985(13) 0.7500 0.38149(19) 0.0143(6) Uani 1 2 d S T P . .
C3 C 0.54829(13) 0.58460(15) 0.51201(19) 0.0133(6) Uani 1 1 d . . . . .
O3 O 0.57629(11) 0.53021(11) 0.50292(15) 0.0225(5) Uani 1 1 d . . . . .
C4 C 0.44311(13) 0.66129(14) 0.4193(2) 0.0125(5) Uani 1 1 d . . . . .
O4 O 0.41058(11) 0.65376(12) 0.35095(15) 0.0235(5) Uani 1 1 d . . . . .
C5 C 0.34068(19) 0.7500 0.5567(3) 0.0113(8) Uani 1 2 d S T P . .
O5 O 0.30127(14) 0.7500 0.4952(2) 0.0150(6) Uani 1 2 d S T P . .
C6 C 0.35522(19) 0.7500 0.7639(3) 0.0134(8) Uani 1 2 d S T P . .
O6 O 0.32382(14) 0.7500 0.8336(2) 0.0225(7) Uani 1 2 d S T P . .
C7 C 0.43456(13) 0.86635(14) 0.65062(18) 0.0104(5) Uani 1 1 d . . . . .
O7 O 0.40078(9) 0.91950(10) 0.65722(13) 0.0133(4) Uani 1 1 d . . . . .
C8 C 0.48203(14) 0.83823(15) 0.8579(2) 0.0135(6) Uani 1 1 d . . . . .
O8 O 0.45618(11) 0.84765(12) 0.93166(15) 0.0216(5) Uani 1 1 d . . . . .
C9 C 0.56877(14) 0.91699(15) 0.73732(19) 0.0133(5) Uani 1 1 d . . . . .
O9 O 0.59449(11) 0.97295(11) 0.73953(16) 0.0228(5) Uani 1 1 d . . . . .
N1 N 0.81744(11) 0.43663(12) 0.65368(16) 0.0117(5) Uani 1 1 d . . . . .
C100 C 0.86426(14) 0.37837(15) 0.6962(2) 0.0151(6) Uani 1 1 d . . . . .
H10A H 0.8808 0.3470 0.6418 0.018 Uiso 1 1 calc R U . . .
H10B H 0.8374 0.3467 0.7411 0.018 Uiso 1 1 calc R U . . .
C101 C 0.92569(15) 0.40798(16) 0.7525(2) 0.0218(6) Uani 1 1 d . . . . .
H10C H 0.9565 0.4329 0.7067 0.033 Uiso 1 1 calc R U . . .
H10D H 0.9497 0.3671 0.7842 0.033 Uiso 1 1 calc R U . . .
H10E H 0.9103 0.4429 0.8027 0.033 Uiso 1 1 calc R U . . .
C102 C 0.85701(14) 0.49285(15) 0.5943(2) 0.0163(6) Uani 1 1 d . . . . .
H10F H 0.8246 0.5299 0.5686 0.020 Uiso 1 1 calc R U . . .
H10G H 0.8888 0.5187 0.6390 0.020 Uiso 1 1 calc R U . . .
C103 C 0.89729(15) 0.46198(17) 0.5089(2) 0.0224(6) Uani 1 1 d . . . . .
H10H H 0.9297 0.4253 0.5333 0.034 Uiso 1 1 calc R U . . .
H10I H 0.9221 0.5019 0.4762 0.034 Uiso 1 1 calc R U . . .
H10J H 0.8662 0.4388 0.4619 0.034 Uiso 1 1 calc R U . . .
C104 C 0.76646(13) 0.39554(14) 0.58939(19) 0.0121(5) Uani 1 1 d . . . . .
H10K H 0.7917 0.3699 0.5365 0.015 Uiso 1 1 calc R U . . .
H10L H 0.7438 0.3575 0.6300 0.015 Uiso 1 1 calc R U . . .
C105 C 0.71229(14) 0.44331(15) 0.5428(2) 0.0152(6) Uani 1 1 d . . . . .
H10M H 0.6836 0.4647 0.5944 0.023 Uiso 1 1 calc R U . . .
H10N H 0.6842 0.4133 0.4988 0.023 Uiso 1 1 calc R U . . .
H10O H 0.7340 0.4828 0.5051 0.023 Uiso 1 1 calc R U . . .
C106 C 0.78143(14) 0.48055(15) 0.7343(2) 0.0166(6) Uani 1 1 d . . . . .
H10P H 0.8163 0.5061 0.7741 0.020 Uiso 1 1 calc R U . . .
H10Q H 0.7530 0.5187 0.7027 0.020 Uiso 1 1 calc R U . . .
C107 C 0.73697(16) 0.43606(17) 0.8028(2) 0.0216(6) Uani 1 1 d . . . . .
H10R H 0.7032 0.4089 0.7642 0.032 Uiso 1 1 calc R U . . .
H10S H 0.7137 0.4691 0.8486 0.032 Uiso 1 1 calc R U . . .
H10T H 0.7652 0.4013 0.8398 0.032 Uiso 1 1 calc R U . . .
N200 N 0.7220(3) 0.2500 0.7742(4) 0.0562(14) Uani 1 2 d S T P . .
C201 C 0.6770(4) 0.2500 0.8244(5) 0.0586(19) Uani 1 2 d S T P . .
C202 C 0.6125(8) 0.2500 0.8797(9) 0.178(7) Uani 1 2 d S T P . .
H20A H 0.6189 0.2760 0.9422 0.266 Uiso 0.5 1 calc R U P . .
H20B H 0.5986 0.1992 0.8927 0.266 Uiso 0.5 1 calc R U P . .
H20C H 0.5773 0.2748 0.8410 0.266 Uiso 0.5 1 calc R U 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
Rh1 C3 1.891(3) . ?
Rh1 C4 1.905(3) . ?
Rh1 C2 2.205(3) . ?
Rh1 C7 2.226(3) 7_575 ?
Rh1 Rh3 2.7502(3) . ?
Rh1 Rh1 2.7520(4) 7_575 ?
Rh1 Rh2 2.7559(3) . ?
Rh1 Rh4 2.7592(3) 7_575 ?
Rh2 C5 1.909(4) . ?
Rh2 C6 1.914(4) . ?
Rh2 C7 2.158(3) 7_575 ?
Rh2 C7 2.158(3) . ?
Rh2 Rh1 2.7559(3) 7_575 ?
Rh2 Rh4 2.7570(3) 7_575 ?
Rh2 Rh4 2.7571(3) . ?
Rh3 C1 1.890(3) . ?
Rh3 C1 1.890(3) 7_575 ?
Rh3 C2 2.114(4) . ?
Rh3 Rh1 2.7501(3) 7_575 ?
Rh3 Rh4 2.8330(3) 7_575 ?
Rh3 Rh4 2.8330(3) . ?
Rh3 In5 2.8366(4) . ?
Rh4 C8 1.889(3) . ?
Rh4 C9 1.897(3) . ?
Rh4 C7 2.129(3) . ?
Rh4 Rh1 2.7592(3) 7_575 ?
Rh4 Rh4 2.8031(4) 7_575 ?
Rh4 In5 2.8487(3) . ?
In5 Cl2 2.5001(6) . ?
In5 Cl2 2.5002(6) 7_575 ?
In5 Cl1 2.5183(9) . ?
In5 Rh4 2.8488(3) 7_575 ?
C1 O1 1.142(3) . ?
C2 O2 1.175(5) . ?
C2 Rh1 2.205(3) 7_575 ?
C3 O3 1.139(3) . ?
C4 O4 1.136(3) . ?
C5 O5 1.140(5) . ?
C6 O6 1.131(5) . ?
C7 O7 1.176(3) . ?
C7 Rh1 2.226(3) 7_575 ?
C8 O8 1.137(3) . ?
C9 O9 1.137(3) . ?
N1 C102 1.517(3) . ?
N1 C100 1.518(3) . ?
N1 C104 1.525(3) . ?
N1 C106 1.530(3) . ?
C100 C101 1.527(4) . ?
C100 H10A 0.9900 . ?
C100 H10B 0.9900 . ?
C101 H10C 0.9800 . ?
C101 H10D 0.9800 . ?
C101 H10E 0.9800 . ?
C102 C103 1.514(4) . ?
C102 H10F 0.9900 . ?
C102 H10G 0.9900 . ?
C103 H10H 0.9800 . ?
C103 H10I 0.9800 . ?
C103 H10J 0.9800 . ?
C104 C105 1.513(4) . ?
C104 H10K 0.9900 . ?
C104 H10L 0.9900 . ?
C105 H10M 0.9800 . ?
C105 H10N 0.9800 . ?
C105 H10O 0.9800 . ?
C106 C107 1.511(4) . ?
C106 H10P 0.9900 . ?
C106 H10Q 0.9900 . ?
C107 H10R 0.9800 . ?
C107 H10S 0.9800 . ?
C107 H10T 0.9800 . ?
N200 C201 1.117(9) . ?
C201 C202 1.473(13) . ?
C202 H20A 0.9800 . ?
C202 H20B 0.9800 . ?
C202 H20C 0.9800 . ?

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
C3 Rh1 C4 94.81(11) . . ?
C3 Rh1 C2 99.47(10) . . ?
C4 Rh1 C2 97.13(12) . . ?
C3 Rh1 C7 95.54(10) . 7_575 ?
C4 Rh1 C7 100.78(10) . 7_575 ?
C2 Rh1 C7 155.51(10) . 7_575 ?
C3 Rh1 Rh3 95.66(8) . . ?
C4 Rh1 Rh3 145.78(8) . . ?
C2 Rh1 Rh3 48.99(10) . . ?
C7 Rh1 Rh3 110.48(7) 7_575 . ?
C3 Rh1 Rh1 149.63(8) . 7_575 ?
C4 Rh1 Rh1 97.15(8) . 7_575 ?
C2 Rh1 Rh1 51.40(6) . 7_575 ?
C7 Rh1 Rh1 109.40(7) 7_575 7_575 ?
Rh3 Rh1 Rh1 59.977(5) . 7_575 ?
C3 Rh1 Rh2 144.67(8) . . ?
C4 Rh1 Rh2 98.82(8) . . ?
C2 Rh1 Rh2 110.87(6) . . ?
C7 Rh1 Rh2 49.96(7) 7_575 . ?
Rh3 Rh1 Rh2 91.108(10) . . ?
Rh1 Rh1 Rh2 60.047(5) 7_575 . ?
C3 Rh1 Rh4 93.15(8) . 7_575 ?
C4 Rh1 Rh4 149.55(8) . 7_575 ?
C2 Rh1 Rh4 110.47(10) . 7_575 ?
C7 Rh1 Rh4 49.14(7) 7_575 7_575 ?
Rh3 Rh1 Rh4 61.890(8) . 7_575 ?
Rh1 Rh1 Rh4 90.529(6) 7_575 7_575 ?
Rh2 Rh1 Rh4 59.987(8) . 7_575 ?
C5 Rh2 C6 95.61(15) . . ?
C5 Rh2 C7 98.47(7) . 7_575 ?
C6 Rh2 C7 96.68(7) . 7_575 ?
C5 Rh2 C7 98.47(7) . . ?
C6 Rh2 C7 96.69(7) . . ?
C7 Rh2 C7 157.24(14) 7_575 . ?
C5 Rh2 Rh1 94.10(9) . 7_575 ?
C6 Rh2 Rh1 148.47(3) . 7_575 ?
C7 Rh2 Rh1 111.44(7) 7_575 7_575 ?
C7 Rh2 Rh1 52.16(7) . 7_575 ?
C5 Rh2 Rh1 94.10(9) . . ?
C6 Rh2 Rh1 148.47(3) . . ?
C7 Rh2 Rh1 52.16(7) 7_575 . ?
C7 Rh2 Rh1 111.44(7) . . ?
Rh1 Rh2 Rh1 59.906(10) 7_575 . ?
C5 Rh2 Rh4 146.50(4) . 7_575 ?
C6 Rh2 Rh4 97.61(9) . 7_575 ?
C7 Rh2 Rh4 49.51(7) 7_575 7_575 ?
C7 Rh2 Rh4 110.33(7) . 7_575 ?
Rh1 Rh2 Rh4 90.493(10) 7_575 7_575 ?
Rh1 Rh2 Rh4 60.066(8) . 7_575 ?
C5 Rh2 Rh4 146.50(4) . . ?
C6 Rh2 Rh4 97.61(10) . . ?
C7 Rh2 Rh4 110.33(7) 7_575 . ?
C7 Rh2 Rh4 49.51(7) . . ?
Rh1 Rh2 Rh4 60.065(8) 7_575 . ?
Rh1 Rh2 Rh4 90.494(10) . . ?
Rh4 Rh2 Rh4 61.108(10) 7_575 . ?
C1 Rh3 C1 92.69(16) . 7_575 ?
C1 Rh3 C2 97.13(11) . . ?
C1 Rh3 C2 97.13(11) 7_575 . ?
C1 Rh3 Rh1 97.32(8) . 7_575 ?
C1 Rh3 Rh1 148.36(8) 7_575 7_575 ?
C2 Rh3 Rh1 51.94(8) . 7_575 ?
C1 Rh3 Rh1 148.36(8) . . ?
C1 Rh3 Rh1 97.32(8) 7_575 . ?
C2 Rh3 Rh1 51.94(8) . . ?
Rh1 Rh3 Rh1 60.044(10) 7_575 . ?
C1 Rh3 Rh4 148.54(8) . 7_575 ?
C1 Rh3 Rh4 97.88(8) 7_575 7_575 ?
C2 Rh3 Rh4 110.73(8) . 7_575 ?
Rh1 Rh3 Rh4 89.035(10) 7_575 7_575 ?
Rh1 Rh3 Rh4 59.212(8) . 7_575 ?
C1 Rh3 Rh4 97.88(8) . . ?
C1 Rh3 Rh4 148.54(8) 7_575 . ?
C2 Rh3 Rh4 110.73(8) . . ?
Rh1 Rh3 Rh4 59.211(8) 7_575 . ?
Rh1 Rh3 Rh4 89.037(10) . . ?
Rh4 Rh3 Rh4 59.303(10) 7_575 . ?
C1 Rh3 In5 90.23(8) . . ?
C1 Rh3 In5 90.23(8) 7_575 . ?
C2 Rh3 In5 169.30(10) . . ?
Rh1 Rh3 In5 119.535(10) 7_575 . ?
Rh1 Rh3 In5 119.536(10) . . ?
Rh4 Rh3 In5 60.326(8) 7_575 . ?
Rh4 Rh3 In5 60.325(8) . . ?
C8 Rh4 C9 93.84(11) . . ?
C8 Rh4 C7 96.96(11) . . ?
C9 Rh4 C7 97.61(10) . . ?
C8 Rh4 Rh2 96.61(8) . . ?
C9 Rh4 Rh2 147.31(8) . . ?
C7 Rh4 Rh2 50.44(7) . . ?
C8 Rh4 Rh1 148.45(8) . 7_575 ?
C9 Rh4 Rh1 96.85(8) . 7_575 ?
C7 Rh4 Rh1 52.26(7) . 7_575 ?
Rh2 Rh4 Rh1 59.947(8) . 7_575 ?
C8 Rh4 Rh4 96.16(8) . 7_575 ?
C9 Rh4 Rh4 149.53(8) . 7_575 ?
C7 Rh4 Rh4 109.60(7) . 7_575 ?
Rh2 Rh4 Rh4 59.445(5) . 7_575 ?
Rh1 Rh4 Rh4 89.468(6) 7_575 7_575 ?
C8 Rh4 Rh3 148.17(8) . . ?
C9 Rh4 Rh3 97.82(8) . . ?
C7 Rh4 Rh3 110.61(7) . . ?
Rh2 Rh4 Rh3 89.356(10) . . ?
Rh1 Rh4 Rh3 58.897(8) 7_575 . ?
Rh4 Rh4 Rh3 60.349(5) 7_575 . ?
C8 Rh4 In5 90.56(8) . . ?
C9 Rh4 In5 90.73(8) . . ?
C7 Rh4 In5 168.35(7) . . ?
Rh2 Rh4 In5 119.963(8) . . ?
Rh1 Rh4 In5 118.797(9) 7_575 . ?
Rh4 Rh4 In5 60.529(5) 7_575 . ?
Rh3 Rh4 In5 59.901(9) . . ?
Cl2 In5 Cl2 95.18(3) . 7_575 ?
Cl2 In5 Cl1 93.54(2) . . ?
Cl2 In5 Cl1 93.54(2) 7_575 . ?
Cl2 In5 Rh3 101.505(16) . . ?
Cl2 In5 Rh3 101.505(16) 7_575 . ?
Cl1 In5 Rh3 157.54(2) . . ?
Cl2 In5 Rh4 101.230(15) . . ?
Cl2 In5 Rh4 157.114(17) 7_575 . ?
Cl1 In5 Rh4 101.18(2) . . ?
Rh3 In5 Rh4 59.774(8) . . ?
Cl2 In5 Rh4 157.113(17) . 7_575 ?
Cl2 In5 Rh4 101.231(15) 7_575 7_575 ?
Cl1 In5 Rh4 101.18(2) . 7_575 ?
Rh3 In5 Rh4 59.774(8) . 7_575 ?
Rh4 In5 Rh4 58.942(10) . 7_575 ?
O1 C1 Rh3 175.4(2) . . ?
O2 C2 Rh3 134.8(3) . . ?
O2 C2 Rh1 132.21(17) . 7_575 ?
Rh3 C2 Rh1 79.07(12) . 7_575 ?
O2 C2 Rh1 132.20(17) . . ?
Rh3 C2 Rh1 79.07(12) . . ?
Rh1 C2 Rh1 77.21(12) 7_575 . ?
O3 C3 Rh1 178.7(2) . . ?
O4 C4 Rh1 177.3(2) . . ?
O5 C5 Rh2 174.8(3) . . ?
O6 C6 Rh2 176.7(3) . . ?
O7 C7 Rh4 133.0(2) . . ?
O7 C7 Rh2 134.0(2) . . ?
Rh4 C7 Rh2 80.05(9) . . ?
O7 C7 Rh1 131.45(19) . 7_575 ?
Rh4 C7 Rh1 78.60(9) . 7_575 ?
Rh2 C7 Rh1 77.88(9) . 7_575 ?
O8 C8 Rh4 175.8(2) . . ?
O9 C9 Rh4 175.9(2) . . ?
C102 N1 C100 111.2(2) . . ?
C102 N1 C104 111.2(2) . . ?
C100 N1 C104 105.95(19) . . ?
C102 N1 C106 105.5(2) . . ?
C100 N1 C106 111.8(2) . . ?
C104 N1 C106 111.2(2) . . ?
N1 C100 C101 115.1(2) . . ?
N1 C100 H10A 108.5 . . ?
C101 C100 H10A 108.5 . . ?
N1 C100 H10B 108.5 . . ?
C101 C100 H10B 108.5 . . ?
H10A C100 H10B 107.5 . . ?
C100 C101 H10C 109.5 . . ?
C100 C101 H10D 109.5 . . ?
H10C C101 H10D 109.5 . . ?
C100 C101 H10E 109.5 . . ?
H10C C101 H10E 109.5 . . ?
H10D C101 H10E 109.5 . . ?
C103 C102 N1 115.2(2) . . ?
C103 C102 H10F 108.5 . . ?
N1 C102 H10F 108.5 . . ?
C103 C102 H10G 108.5 . . ?
N1 C102 H10G 108.5 . . ?
H10F C102 H10G 107.5 . . ?
C102 C103 H10H 109.5 . . ?
C102 C103 H10I 109.5 . . ?
H10H C103 H10I 109.5 . . ?
C102 C103 H10J 109.5 . . ?
H10H C103 H10J 109.5 . . ?
H10I C103 H10J 109.5 . . ?
C105 C104 N1 114.9(2) . . ?
C105 C104 H10K 108.5 . . ?
N1 C104 H10K 108.5 . . ?
C105 C104 H10L 108.5 . . ?
N1 C104 H10L 108.5 . . ?
H10K C104 H10L 107.5 . . ?
C104 C105 H10M 109.5 . . ?
C104 C105 H10N 109.5 . . ?
H10M C105 H10N 109.5 . . ?
C104 C105 H10O 109.5 . . ?
H10M C105 H10O 109.5 . . ?
H10N C105 H10O 109.5 . . ?
C107 C106 N1 115.4(2) . . ?
C107 C106 H10P 108.4 . . ?
N1 C106 H10P 108.4 . . ?
C107 C106 H10Q 108.4 . . ?
N1 C106 H10Q 108.4 . . ?
H10P C106 H10Q 107.5 . . ?
C106 C107 H10R 109.5 . . ?
C106 C107 H10S 109.5 . . ?
H10R C107 H10S 109.5 . . ?
C106 C107 H10T 109.5 . . ?
H10R C107 H10T 109.5 . . ?
H10S C107 H10T 109.5 . . ?
N200 C201 C202 173.1(10) . . ?
C201 C202 H20A 109.5 . . ?
C201 C202 H20B 109.5 . . ?
H20A C202 H20B 109.5 . . ?
C201 C202 H20C 109.5 . . ?
H20A C202 H20C 109.5 . . ?
H20B C202 H20C 109.5 . . ?

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
C102 N1 C100 C101 51.1(3) . . . . ?
C104 N1 C100 C101 172.1(2) . . . . ?
C106 N1 C100 C101 -66.5(3) . . . . ?
C100 N1 C102 C103 58.7(3) . . . . ?
C104 N1 C102 C103 -59.2(3) . . . . ?
C106 N1 C102 C103 -179.9(2) . . . . ?
C102 N1 C104 C105 -61.7(3) . . . . ?
C100 N1 C104 C105 177.3(2) . . . . ?
C106 N1 C104 C105 55.6(3) . . . . ?
C102 N1 C106 C107 178.8(2) . . . . ?
C100 N1 C106 C107 -60.2(3) . . . . ?
C104 N1 C106 C107 58.1(3) . . . . ?

_refine_diff_density_max         0.471
_refine_diff_density_min         -0.812
_refine_diff_density_rms         0.100



