# Supplementary Information (SI) for Dalton Transactions.
# 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. 
# 
#######################################################################

data_Rh1cs2CODBF4_sq
_database_code_depnum_ccdc_archive 'CCDC 2379143'
loop_
_audit_author_name
_audit_author_address
'Berislav Peric'
;Rudjer Boskovic Institute
Croatia
;
_audit_update_record             
;
2024-08-22 deposited with the CCDC.	2024-11-14 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C48 H52 N4 O8 Rh +, B F4 -'
_chemical_formula_sum            'C48 H52 B F4 N4 O8 Rh'
_chemical_formula_weight         1002.65

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh 0.0927 3.6045 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           5
_space_group_name_H-M_alt        'I 2'
_space_group_name_Hall           'I 2y'

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

_cell_length_a                   20.5437(4)
_cell_length_b                   10.4027(4)
_cell_length_c                   30.6083(9)
_cell_angle_alpha                90
_cell_angle_beta                 106.710(3)
_cell_angle_gamma                90
_cell_volume                     6265.1(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    16712
_cell_measurement_theta_min      4.4180
_cell_measurement_theta_max      79.0990

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.063
_exptl_crystal_F_000             2072
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.15
_exptl_absorpt_coefficient_mu    2.669
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_T_min  0.78825
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.101a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_reflns_number            27698
_diffrn_reflns_av_unetI/netI     0.0294
_diffrn_reflns_av_R_equivalents  0.0287
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_theta_min         3.044
_diffrn_reflns_theta_max         79.746
_diffrn_reflns_theta_full        67.684
_diffrn_measured_fraction_theta_max 0.965
_diffrn_measured_fraction_theta_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.965
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.783
_diffrn_reflns_point_group_measured_fraction_full 0.831
_reflns_number_total             10689
_reflns_number_gt                9566
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.536
_reflns_Friedel_fraction_max     0.579
_reflns_Friedel_fraction_full    0.650

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'CrysAlisPro 1.171.42.101a (Rigaku OD, 2023)'
_computing_cell_refinement       'CrysAlisPro 1.171.42.101a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.42.101a (Rigaku OD, 2023)'
_computing_structure_solution    'SHELXT-2018/3 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_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)+(0.0614P)²+0.6740P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Classical Flack method preferred over Parsons because s.u. lower.
;
_refine_ls_abs_structure_Flack   0.008(8)
_chemical_absolute_configuration syn
_refine_ls_number_reflns         10689
_refine_ls_number_parameters     606
_refine_ls_number_restraints     63
_refine_ls_R_factor_all          0.0379
_refine_ls_R_factor_gt           0.0346
_refine_ls_wR_factor_ref         0.1010
_refine_ls_wR_factor_gt          0.0979
_refine_ls_goodness_of_fit_ref   1.108
_refine_ls_restrained_S_all      1.110
_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
Rh_1 Rh 0.000000 0.76694(3) 0.000000 0.06740(16) Uani 1 2 d S T P . .
O1O_1 O 0.1175(2) 1.1145(4) 0.0161(2) 0.1040(14) Uani 1 1 d . . . . .
C2O_1 C 0.0815(2) 1.0171(4) 0.0276(2) 0.0794(14) Uani 1 1 d . . . . .
N3O_1 N 0.0742(2) 0.9141(5) 0.00306(19) 0.0702(13) Uani 1 1 d . . . . .
C4O_1 C 0.1186(2) 0.9290(5) -0.0272(2) 0.0799(13) Uani 1 1 d . . . . .
H4O_1 H 0.094319 0.902098 -0.058342 0.096 Uiso 1 1 calc R U . . .
C5O_1 C 0.1308(3) 1.0746(5) -0.0257(3) 0.101(2) Uani 1 1 d . . . . .
H5OA_1 H 0.177175 1.094082 -0.025118 0.122 Uiso 1 1 calc R U . . .
H5OB_1 H 0.099981 1.116568 -0.051892 0.122 Uiso 1 1 calc R U . . .
C1B1_1 C 0.0602(3) 1.0387(5) 0.0686(2) 0.0906(16) Uani 1 1 d . . . . .
C2B1_1 C 0.0521(3) 0.9338(6) 0.0946(2) 0.0848(16) Uani 1 1 d . . . . .
H2B1_1 H 0.060518 0.851359 0.085838 0.102 Uiso 1 1 calc R U . . .
C3B1_1 C 0.0317(3) 0.9509(7) 0.1333(3) 0.1042(19) Uani 1 1 d . . . . .
C4B1_1 C 0.0198(5) 1.0747(10) 0.1461(3) 0.135(3) Uani 1 1 d . . . . .
H4B1_1 H 0.003959 1.087366 0.171380 0.162 Uiso 1 1 calc R U . . .
C5B1_1 C 0.0316(5) 1.1798(8) 0.1213(4) 0.145(3) Uani 1 1 d . . . . .
H5B1_1 H 0.027161 1.262711 0.131431 0.174 Uiso 1 1 calc R U . . .
C6B1_1 C 0.0498(4) 1.1618(7) 0.0821(3) 0.117(3) Uani 1 1 d . . . . .
H6B1_1 H 0.055048 1.232093 0.064599 0.140 Uiso 1 1 calc R U . . .
CC1_1 C 0.0240(4) 0.8304(9) 0.1590(2) 0.116(2) Uani 1 1 d . . . . .
OC1_1 O 0.0607(4) 0.7379(7) 0.1590(2) 0.144(3) Uani 1 1 d . . . . .
NA_1 N -0.0221(3) 0.8334(8) 0.1828(2) 0.125(2) Uani 1 1 d D . . . .
HNA_1 H -0.051(4) 0.891(7) 0.184(3) 0.150 Uiso 1 1 d D U . . .
CAA_1 C -0.0341(5) 0.7158(12) 0.2043(3) 0.140(3) Uani 1 1 d . . . . .
HAA_1 H 0.009475 0.680335 0.222505 0.168 Uiso 1 1 calc R U . . .
CBA_1 C -0.0791(6) 0.7456(14) 0.2359(3) 0.181(5) Uani 1 1 d . . . . .
HBAA_1 H -0.124489 0.765142 0.217636 0.271 Uiso 1 1 calc R U . . .
HBAB_1 H -0.060751 0.817956 0.254881 0.271 Uiso 1 1 calc R U . . .
HBAC_1 H -0.080109 0.672140 0.254666 0.271 Uiso 1 1 calc R U . . .
CCA_1 C -0.0694(5) 0.6187(11) 0.1683(4) 0.136(3) Uani 1 1 d . . . . .
O1CA_1 O -0.0983(4) 0.6404(7) 0.1285(2) 0.147(2) Uani 1 1 d . . . . .
O2CA_1 O -0.0676(5) 0.5025(9) 0.1864(3) 0.175(3) Uani 1 1 d . . . . .
CM_1 C -0.0961(8) 0.3990(15) 0.1582(6) 0.229(9) Uani 1 1 d . . . . .
HMA_1 H -0.126641 0.430861 0.130372 0.344 Uiso 1 1 calc R U . . .
HMB_1 H -0.120571 0.345100 0.173477 0.344 Uiso 1 1 calc R U . . .
HMC_1 H -0.060602 0.350128 0.151372 0.344 Uiso 1 1 calc R U . . .
C1B2_1 C 0.1830(2) 0.8535(6) -0.0099(2) 0.0744(13) Uani 1 1 d . . . . .
C2B2_1 C 0.2217(3) 0.8584(7) 0.0338(2) 0.0959(17) Uani 1 1 d . . . . .
H2B2_1 H 0.206755 0.909197 0.054021 0.115 Uiso 1 1 calc R U . . .
C3B2_1 C 0.2814(4) 0.7934(9) 0.0503(3) 0.117(2) Uani 1 1 d . . . . .
H3B2_1 H 0.306724 0.801299 0.080742 0.141 Uiso 1 1 calc R U . . .
C4B2_1 C 0.3034(4) 0.7160(8) 0.0210(4) 0.115(3) Uani 1 1 d . . . . .
H4B2_1 H 0.343700 0.670029 0.031538 0.138 Uiso 1 1 calc R U . . .
C5B2_1 C 0.2670(4) 0.7069(7) -0.0225(4) 0.109(2) Uani 1 1 d . . . . .
H5B2_1 H 0.281881 0.653949 -0.042167 0.131 Uiso 1 1 calc R U . . .
C6B2_1 C 0.2064(3) 0.7762(6) -0.0390(2) 0.0885(15) Uani 1 1 d . . . . .
H6B2_1 H 0.181825 0.770335 -0.069620 0.106 Uiso 1 1 calc R U . . .
C1C_1 C 0.0595(3) 0.6194(6) -0.0183(3) 0.085(2) Uani 1 1 d . . . . .
H1C_1 H 0.093078 0.653685 -0.032361 0.102 Uiso 1 1 calc R U . . .
C2C_1 C 0.0181(3) 0.5125(6) -0.0457(3) 0.101(2) Uani 1 1 d . . . . .
H2CA_1 H 0.026064 0.434327 -0.027621 0.121 Uiso 1 1 calc R U . . .
H2CB_1 H 0.033043 0.497447 -0.072577 0.121 Uiso 1 1 calc R U . . .
C3C_1 C -0.0575(4) 0.5420(8) -0.0603(3) 0.110(2) Uani 1 1 d . . . . .
H3CA_1 H -0.082512 0.461987 -0.062674 0.132 Uiso 1 1 calc R U . . .
H3CB_1 H -0.069463 0.581024 -0.090374 0.132 Uiso 1 1 calc R U . . .
C4C_1 C -0.0792(3) 0.6319(7) -0.0275(3) 0.089(2) Uani 1 1 d . . . . .
H4C_1 H -0.124325 0.670307 -0.040036 0.107 Uiso 1 1 calc R U . . .
Rh_2 Rh 0.500000 0.33643(2) 0.000000 0.05637(12) Uani 1 2 d S T P . .
O1O_2 O 0.39827(18) -0.0104(3) 0.01855(16) 0.0890(11) Uani 1 1 d . . . . .
C2O_2 C 0.4430(2) 0.0868(4) 0.02889(17) 0.0667(10) Uani 1 1 d . . . . .
N3O_2 N 0.4297(2) 0.1858(5) 0.00419(17) 0.0607(11) Uani 1 1 d . . . . .
C4O_2 C 0.35834(19) 0.1706(5) -0.02607(16) 0.0681(10) Uani 1 1 d . . . . .
H4O_2 H 0.355736 0.196247 -0.057329 0.082 Uiso 1 1 calc R U . . .
C5O_2 C 0.3485(3) 0.0267(5) -0.0238(2) 0.0855(15) Uani 1 1 d . . . . .
H5OA_2 H 0.302779 0.006356 -0.023113 0.103 Uiso 1 1 calc R U . . .
H5OB_2 H 0.357279 -0.016165 -0.049710 0.103 Uiso 1 1 calc R U . . .
C1B1_2 C 0.5003(2) 0.0686(4) 0.06988(19) 0.0732(11) Uani 1 1 d . . . . .
C2B1_2 C 0.5309(2) 0.1739(5) 0.09479(18) 0.0691(12) Uani 1 1 d . . . . .
H2B1_2 H 0.514668 0.255939 0.085628 0.083 Uiso 1 1 calc R U . . .
C3B1_2 C 0.5855(3) 0.1587(6) 0.13325(19) 0.0853(14) Uani 1 1 d . . . . .
C4B1_2 C 0.6093(4) 0.0363(9) 0.1462(3) 0.119(2) Uani 1 1 d . . . . .
H4B1_2 H 0.647237 0.025218 0.171239 0.142 Uiso 1 1 calc R U . . .
C5B1_2 C 0.5773(5) -0.0694(8) 0.1226(3) 0.128(3) Uani 1 1 d . . . . .
H5B1_2 H 0.592699 -0.151504 0.132358 0.153 Uiso 1 1 calc R U . . .
C6B1_2 C 0.5233(4) -0.0543(6) 0.0848(3) 0.101(2) Uani 1 1 d . . . . .
H6B1_2 H 0.501709 -0.126016 0.069001 0.122 Uiso 1 1 calc R U . . .
CC1_2 C 0.6141(3) 0.2804(8) 0.15818(19) 0.0967(17) Uani 1 1 d . . . . .
OC1_2 O 0.5786(3) 0.3747(7) 0.15717(18) 0.123(2) Uani 1 1 d . . . . .
NA_2 N 0.6818(3) 0.2782(7) 0.18143(18) 0.1101(18) Uani 1 1 d D . . . .
HNA_2 H 0.702(4) 0.206(5) 0.189(3) 0.132 Uiso 1 1 d D U . . .
CAA_2 C 0.7126(4) 0.3960(10) 0.2028(2) 0.129(3) Uani 1 1 d . . . . .
HAA_2 H 0.684907 0.432434 0.221008 0.155 Uiso 1 1 calc R U . . .
CBA_2 C 0.7845(4) 0.3671(12) 0.2337(2) 0.152(4) Uani 1 1 d . . . . .
HBAA_2 H 0.813554 0.345086 0.215273 0.227 Uiso 1 1 calc R U . . .
HBAB_2 H 0.782683 0.296432 0.253541 0.227 Uiso 1 1 calc R U . . .
HBAC_2 H 0.802197 0.441616 0.251728 0.227 Uiso 1 1 calc R U . . .
CCA_2 C 0.7173(3) 0.4915(9) 0.1663(2) 0.117(3) Uani 1 1 d . . . . .
O1CA_2 O 0.7105(3) 0.4700(6) 0.12710(15) 0.1305(18) Uani 1 1 d . . . . .
O2CA_2 O 0.7303(4) 0.6097(8) 0.1836(2) 0.165(3) Uani 1 1 d . . . . .
CM_2 C 0.7396(6) 0.7127(15) 0.1504(5) 0.188(5) Uani 1 1 d . . . . .
HMA_2 H 0.717429 0.686011 0.119680 0.282 Uiso 1 1 calc R U . . .
HMB_2 H 0.787231 0.724814 0.154027 0.282 Uiso 1 1 calc R U . . .
HMC_2 H 0.720115 0.792079 0.156540 0.282 Uiso 1 1 calc R U . . .
C1B2_2 C 0.3084(2) 0.2477(5) -0.00889(19) 0.0654(12) Uani 1 1 d . . . . .
C2B2_2 C 0.3078(3) 0.2435(6) 0.0354(2) 0.0866(14) Uani 1 1 d . . . . .
H2B2_2 H 0.339236 0.192100 0.055979 0.104 Uiso 1 1 calc R U . . .
C3B2_2 C 0.2617(3) 0.3139(8) 0.0505(3) 0.108(2) Uani 1 1 d . . . . .
H3B2_2 H 0.263640 0.312168 0.081261 0.130 Uiso 1 1 calc R U . . .
C4B2_2 C 0.2146(4) 0.3842(7) 0.0215(4) 0.113(3) Uani 1 1 d . . . . .
H4B2_2 H 0.182380 0.428274 0.031762 0.136 Uiso 1 1 calc R U . . .
C5B2_2 C 0.2133(3) 0.3918(7) -0.0228(4) 0.110(3) Uani 1 1 d . . . . .
H5B2_2 H 0.181227 0.443614 -0.042684 0.132 Uiso 1 1 calc R U . . .
C6B2_2 C 0.2597(2) 0.3225(6) -0.0388(2) 0.0842(13) Uani 1 1 d . . . . .
H6B2_2 H 0.257966 0.326470 -0.069472 0.101 Uiso 1 1 calc R U . . .
C1C_2 C 0.4238(3) 0.4803(5) -0.0199(3) 0.0739(17) Uani 1 1 d . . . . .
H1C_2 H 0.378084 0.446290 -0.033988 0.089 Uiso 1 1 calc R U . . .
C2C_2 C 0.4436(3) 0.5877(6) -0.0461(3) 0.097(2) Uani 1 1 d . . . . .
H2CB_2 H 0.406261 0.604186 -0.073192 0.117 Uiso 1 1 calc R U . . .
H2CA_2 H 0.450625 0.664802 -0.027491 0.117 Uiso 1 1 calc R U . . .
C3C_2 C 0.5051(3) 0.5623(7) -0.0598(3) 0.101(2) Uani 1 1 d . . . . .
H3CB_2 H 0.527698 0.643346 -0.061337 0.122 Uiso 1 1 calc R U . . .
H3CA_2 H 0.492039 0.525184 -0.090131 0.122 Uiso 1 1 calc R U . . .
C4C_2 C 0.5553(3) 0.4720(5) -0.0276(2) 0.0726(14) Uani 1 1 d . . . . .
H4C_2 H 0.588933 0.433489 -0.040759 0.087 Uiso 1 1 calc R U . . .
B_3 B 0.8137(6) 0.0546(9) 0.1479(4) 0.132(2) Uani 1 1 d . . . . .
F1_3 F 0.8633(5) 0.0149(15) 0.1573(6) 0.380(8) Uani 1 1 d . . . . .
F2_3 F 0.7861(6) 0.0299(15) 0.1815(4) 0.304(6) Uani 1 1 d . . . . .
F3_3 F 0.8140(11) 0.1673(8) 0.1426(5) 0.417(10) Uani 1 1 d . . . . .
F4_3 F 0.7711(8) 0.0115(18) 0.1140(5) 0.403(9) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh_1 C4C_1 2.132(6) 2 ?
Rh_1 C4C_1 2.132(6) . ?
Rh_1 C1C_1 2.135(6) 2 ?
Rh_1 C1C_1 2.135(6) . ?
Rh_1 N3O_1 2.144(4) . ?
Rh_1 N3O_1 2.144(4) 2 ?
O1O_1 C2O_1 1.359(5) . ?
O1O_1 C5O_1 1.446(9) . ?
C2O_1 N3O_1 1.293(7) . ?
C2O_1 C1B1_1 1.459(9) . ?
N3O_1 C4O_1 1.484(6) . ?
C4O_1 C1B2_1 1.499(7) . ?
C4O_1 C5O_1 1.533(7) . ?
C1B1_1 C6B1_1 1.381(8) . ?
C1B1_1 C2B1_1 1.389(9) . ?
C2B1_1 C3B1_1 1.375(9) . ?
C3B1_1 C4B1_1 1.389(11) . ?
C3B1_1 CC1_1 1.512(11) . ?
C4B1_1 C5B1_1 1.393(13) . ?
C5B1_1 C6B1_1 1.369(13) . ?
CC1_1 OC1_1 1.223(10) . ?
CC1_1 NA_1 1.350(8) . ?
NA_1 CAA_1 1.444(13) . ?
CAA_1 CCA_1 1.516(15) . ?
CAA_1 CBA_1 1.551(11) . ?
CCA_1 O1CA_1 1.215(11) . ?
CCA_1 O2CA_1 1.325(12) . ?
O2CA_1 CM_1 1.399(19) . ?
C1B2_1 C2B2_1 1.347(9) . ?
C1B2_1 C6B2_1 1.384(8) . ?
C2B2_1 C3B2_1 1.364(10) . ?
C3B2_1 C4B2_1 1.376(12) . ?
C4B2_1 C5B2_1 1.329(12) . ?
C5B2_1 C6B2_1 1.401(10) . ?
C1C_1 C4C_1 1.349(11) 2 ?
C1C_1 C2C_1 1.500(9) . ?
C2C_1 C3C_1 1.519(10) . ?
C3C_1 C4C_1 1.530(10) . ?
Rh_2 C1C_2 2.124(5) 2_655 ?
Rh_2 C1C_2 2.124(5) . ?
Rh_2 C4C_2 2.132(5) 2_655 ?
Rh_2 C4C_2 2.132(5) . ?
Rh_2 N3O_2 2.159(4) 2_655 ?
Rh_2 N3O_2 2.159(4) . ?
O1O_2 C2O_2 1.341(5) . ?
O1O_2 C5O_2 1.453(7) . ?
C2O_2 N3O_2 1.261(7) . ?
C2O_2 C1B1_2 1.465(7) . ?
N3O_2 C4O_2 1.501(6) . ?
C4O_2 C1B2_2 1.512(6) . ?
C4O_2 C5O_2 1.514(7) . ?
C1B1_2 C2B1_2 1.379(8) . ?
C1B1_2 C6B1_2 1.394(8) . ?
C2B1_2 C3B1_2 1.382(8) . ?
C3B1_2 C4B1_2 1.380(10) . ?
C3B1_2 CC1_2 1.507(10) . ?
C4B1_2 C5B1_2 1.375(13) . ?
C5B1_2 C6B1_2 1.361(11) . ?
CC1_2 OC1_2 1.217(9) . ?
CC1_2 NA_2 1.370(9) . ?
NA_2 CAA_2 1.445(12) . ?
CAA_2 CCA_2 1.519(13) . ?
CAA_2 CBA_2 1.539(11) . ?
CCA_2 O1CA_2 1.188(7) . ?
CCA_2 O2CA_2 1.335(10) . ?
O2CA_2 CM_2 1.527(16) . ?
C1B2_2 C2B2_2 1.361(8) . ?
C1B2_2 C6B2_2 1.385(8) . ?
C2B2_2 C3B2_2 1.377(8) . ?
C3B2_2 C4B2_2 1.330(11) . ?
C4B2_2 C5B2_2 1.351(13) . ?
C5B2_2 C6B2_2 1.391(10) . ?
C1C_2 C4C_2 1.394(9) 2_655 ?
C1C_2 C2C_2 1.498(8) . ?
C2C_2 C3C_2 1.466(9) . ?
C3C_2 C4C_2 1.527(9) . ?
B_3 F1_3 1.059(12) . ?
B_3 F3_3 1.184(13) . ?
B_3 F4_3 1.233(14) . ?
B_3 F2_3 1.333(14) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C4C_1 Rh_1 C4C_1 97.5(4) 2 . ?
C4C_1 Rh_1 C1C_1 81.5(2) 2 2 ?
C4C_1 Rh_1 C1C_1 36.9(3) . 2 ?
C4C_1 Rh_1 C1C_1 36.9(3) 2 . ?
C4C_1 Rh_1 C1C_1 81.5(2) . . ?
C1C_1 Rh_1 C1C_1 88.0(3) 2 . ?
C4C_1 Rh_1 N3O_1 90.0(2) 2 . ?
C4C_1 Rh_1 N3O_1 160.2(3) . . ?
C1C_1 Rh_1 N3O_1 162.9(3) 2 . ?
C1C_1 Rh_1 N3O_1 94.09(17) . . ?
C4C_1 Rh_1 N3O_1 160.2(3) 2 2 ?
C4C_1 Rh_1 N3O_1 90.0(2) . 2 ?
C1C_1 Rh_1 N3O_1 94.09(17) 2 2 ?
C1C_1 Rh_1 N3O_1 162.9(3) . 2 ?
N3O_1 Rh_1 N3O_1 88.9(2) . 2 ?
C2O_1 O1O_1 C5O_1 105.7(4) . . ?
N3O_1 C2O_1 O1O_1 116.6(5) . . ?
N3O_1 C2O_1 C1B1_1 127.9(4) . . ?
O1O_1 C2O_1 C1B1_1 115.3(5) . . ?
C2O_1 N3O_1 C4O_1 106.7(4) . . ?
C2O_1 N3O_1 Rh_1 125.4(3) . . ?
C4O_1 N3O_1 Rh_1 127.2(4) . . ?
N3O_1 C4O_1 C1B2_1 111.3(4) . . ?
N3O_1 C4O_1 C5O_1 102.0(4) . . ?
C1B2_1 C4O_1 C5O_1 112.8(4) . . ?
O1O_1 C5O_1 C4O_1 103.9(4) . . ?
C6B1_1 C1B1_1 C2B1_1 120.1(6) . . ?
C6B1_1 C1B1_1 C2O_1 120.7(6) . . ?
C2B1_1 C1B1_1 C2O_1 119.1(5) . . ?
C3B1_1 C2B1_1 C1B1_1 120.6(6) . . ?
C2B1_1 C3B1_1 C4B1_1 119.1(7) . . ?
C2B1_1 C3B1_1 CC1_1 116.4(6) . . ?
C4B1_1 C3B1_1 CC1_1 124.6(7) . . ?
C3B1_1 C4B1_1 C5B1_1 120.1(7) . . ?
C6B1_1 C5B1_1 C4B1_1 120.4(7) . . ?
C5B1_1 C6B1_1 C1B1_1 119.6(8) . . ?
OC1_1 CC1_1 NA_1 123.1(9) . . ?
OC1_1 CC1_1 C3B1_1 119.7(6) . . ?
NA_1 CC1_1 C3B1_1 117.2(7) . . ?
CC1_1 NA_1 CAA_1 117.7(8) . . ?
NA_1 CAA_1 CCA_1 110.1(7) . . ?
NA_1 CAA_1 CBA_1 109.0(10) . . ?
CCA_1 CAA_1 CBA_1 109.8(8) . . ?
O1CA_1 CCA_1 O2CA_1 122.4(12) . . ?
O1CA_1 CCA_1 CAA_1 126.8(10) . . ?
O2CA_1 CCA_1 CAA_1 110.8(10) . . ?
CCA_1 O2CA_1 CM_1 119.1(11) . . ?
C2B2_1 C1B2_1 C6B2_1 116.5(5) . . ?
C2B2_1 C1B2_1 C4O_1 122.7(6) . . ?
C6B2_1 C1B2_1 C4O_1 120.8(6) . . ?
C1B2_1 C2B2_1 C3B2_1 124.1(7) . . ?
C2B2_1 C3B2_1 C4B2_1 118.5(8) . . ?
C5B2_1 C4B2_1 C3B2_1 120.0(7) . . ?
C4B2_1 C5B2_1 C6B2_1 120.7(7) . . ?
C1B2_1 C6B2_1 C5B2_1 120.3(7) . . ?
C4C_1 C1C_1 C2C_1 127.2(7) 2 . ?
C4C_1 C1C_1 Rh_1 71.4(4) 2 . ?
C2C_1 C1C_1 Rh_1 113.9(4) . . ?
C1C_1 C2C_1 C3C_1 112.4(5) . . ?
C2C_1 C3C_1 C4C_1 113.4(7) . . ?
C1C_1 C4C_1 C3C_1 124.4(7) 2 . ?
C1C_1 C4C_1 Rh_1 71.7(4) 2 . ?
C3C_1 C4C_1 Rh_1 109.1(4) . . ?
C1C_2 Rh_2 C1C_2 90.4(3) 2_655 . ?
C1C_2 Rh_2 C4C_2 81.6(2) 2_655 2_655 ?
C1C_2 Rh_2 C4C_2 38.2(3) . 2_655 ?
C1C_2 Rh_2 C4C_2 38.2(3) 2_655 . ?
C1C_2 Rh_2 C4C_2 81.6(2) . . ?
C4C_2 Rh_2 C4C_2 97.2(3) 2_655 . ?
C1C_2 Rh_2 N3O_2 94.46(17) 2_655 2_655 ?
C1C_2 Rh_2 N3O_2 160.8(2) . 2_655 ?
C4C_2 Rh_2 N3O_2 160.9(2) 2_655 2_655 ?
C4C_2 Rh_2 N3O_2 90.85(19) . 2_655 ?
C1C_2 Rh_2 N3O_2 160.8(2) 2_655 . ?
C1C_2 Rh_2 N3O_2 94.46(17) . . ?
C4C_2 Rh_2 N3O_2 90.85(19) 2_655 . ?
C4C_2 Rh_2 N3O_2 160.9(2) . . ?
N3O_2 Rh_2 N3O_2 87.0(2) 2_655 . ?
C2O_2 O1O_2 C5O_2 105.6(4) . . ?
N3O_2 C2O_2 O1O_2 117.3(5) . . ?
N3O_2 C2O_2 C1B1_2 127.0(4) . . ?
O1O_2 C2O_2 C1B1_2 115.6(4) . . ?
C2O_2 N3O_2 C4O_2 106.8(4) . . ?
C2O_2 N3O_2 Rh_2 126.5(4) . . ?
C4O_2 N3O_2 Rh_2 126.3(3) . . ?
N3O_2 C4O_2 C1B2_2 111.7(4) . . ?
N3O_2 C4O_2 C5O_2 101.3(4) . . ?
C1B2_2 C4O_2 C5O_2 113.3(4) . . ?
O1O_2 C5O_2 C4O_2 103.5(4) . . ?
C2B1_2 C1B1_2 C6B1_2 119.3(6) . . ?
C2B1_2 C1B1_2 C2O_2 119.9(4) . . ?
C6B1_2 C1B1_2 C2O_2 120.8(5) . . ?
C1B1_2 C2B1_2 C3B1_2 120.7(5) . . ?
C4B1_2 C3B1_2 C2B1_2 118.9(7) . . ?
C4B1_2 C3B1_2 CC1_2 125.1(6) . . ?
C2B1_2 C3B1_2 CC1_2 115.9(5) . . ?
C5B1_2 C4B1_2 C3B1_2 120.7(7) . . ?
C6B1_2 C5B1_2 C4B1_2 120.2(6) . . ?
C5B1_2 C6B1_2 C1B1_2 120.1(7) . . ?
OC1_2 CC1_2 NA_2 122.5(7) . . ?
OC1_2 CC1_2 C3B1_2 121.4(6) . . ?
NA_2 CC1_2 C3B1_2 116.0(6) . . ?
CC1_2 NA_2 CAA_2 117.9(7) . . ?
NA_2 CAA_2 CCA_2 109.5(5) . . ?
NA_2 CAA_2 CBA_2 109.3(9) . . ?
CCA_2 CAA_2 CBA_2 109.1(7) . . ?
O1CA_2 CCA_2 O2CA_2 121.8(9) . . ?
O1CA_2 CCA_2 CAA_2 127.3(8) . . ?
O2CA_2 CCA_2 CAA_2 111.0(6) . . ?
CCA_2 O2CA_2 CM_2 115.5(7) . . ?
C2B2_2 C1B2_2 C6B2_2 117.8(5) . . ?
C2B2_2 C1B2_2 C4O_2 122.1(5) . . ?
C6B2_2 C1B2_2 C4O_2 120.1(5) . . ?
C1B2_2 C2B2_2 C3B2_2 121.4(6) . . ?
C4B2_2 C3B2_2 C2B2_2 120.5(7) . . ?
C3B2_2 C4B2_2 C5B2_2 120.2(6) . . ?
C4B2_2 C5B2_2 C6B2_2 120.4(7) . . ?
C1B2_2 C6B2_2 C5B2_2 119.7(6) . . ?
C4C_2 C1C_2 C2C_2 123.7(6) 2_655 . ?
C4C_2 C1C_2 Rh_2 71.2(3) 2_655 . ?
C2C_2 C1C_2 Rh_2 112.8(4) . . ?
C3C_2 C2C_2 C1C_2 114.1(5) . . ?
C2C_2 C3C_2 C4C_2 113.8(5) . . ?
C1C_2 C4C_2 C3C_2 125.6(6) 2_655 . ?
C1C_2 C4C_2 Rh_2 70.6(3) 2_655 . ?
C3C_2 C4C_2 Rh_2 108.9(4) . . ?
F1_3 B_3 F3_3 112.3(18) . . ?
F1_3 B_3 F4_3 118.8(15) . . ?
F3_3 B_3 F4_3 106.0(15) . . ?
F1_3 B_3 F2_3 107.6(14) . . ?
F3_3 B_3 F2_3 108.4(13) . . ?
F4_3 B_3 F2_3 102.9(14) . . ?

_refine_diff_density_max         0.617
_refine_diff_density_min         -0.528
_refine_diff_density_rms         0.034




