# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_2_Rh
_database_code_depnum_ccdc_archive 'CCDC 2106776'
loop_
_audit_author_name
_audit_author_address
'Witold Bloch'
;University of Adelaide 
Australia
;
_audit_update_record             
;
2021-09-01 deposited with the CCDC.	2021-11-30 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT029_2_Rh                
;
PROBLEM: _diffrn_measured_fraction_theta_full value Low .      0.937 Why?
RESPONSE: Due to geometry constraints of the endstation only a single omega sweep was able to be collected at the Australian Synchrotron MX2 beamline. The triclinic crystals were sensitive to solvent loss and a more complete data set could not be collected
;
# Added during the CSD deposition process: Wednesday 01 September 2021 07:24 AM
# end Validation Reply Form


_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C108 H60 N4 O20 Rh4'
_chemical_formula_weight         2145.24

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

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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'

_cell_length_a                   12.446(3)
_cell_length_b                   14.231(3)
_cell_length_c                   18.240(4)
_cell_angle_alpha                74.52(3)
_cell_angle_beta                 70.59(3)
_cell_angle_gamma                71.55(3)
_cell_volume                     2842.8(13)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    14715
_cell_measurement_theta_min      0.67
_cell_measurement_theta_max      13.28

_exptl_crystal_description       block
_exptl_crystal_colour            purple
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.253
_exptl_crystal_F_000             1076
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.05
_exptl_absorpt_coefficient_mu    0.632
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           Synchrotron
_diffrn_source                   'MX2 Beamline Australian Synchrotron'
_diffrn_measurement_device_type  'ADSC Quantum 315r'
_diffrn_measurement_method       'Phi Scan'
_diffrn_radiation_monochromator  'Silicon Double Crystal'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            48055
_diffrn_reflns_av_unetI/netI     0.0301
_diffrn_reflns_av_R_equivalents  0.0369
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         1.534
_diffrn_reflns_theta_max         27.103
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.926
_diffrn_measured_fraction_theta_full 0.937
_diffrn_reflns_Laue_measured_fraction_max 0.926
_diffrn_reflns_Laue_measured_fraction_full 0.937
_diffrn_reflns_point_group_measured_fraction_max 0.926
_diffrn_reflns_point_group_measured_fraction_full 0.937
_reflns_number_total             11628
_reflns_number_gt                8764
_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.
 
 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       'BluIce (McPhillips, 2002)'
_computing_cell_refinement       'XDS (Kabsch, 1993)'
_computing_data_reduction        'XDS (Kabsch, 1993)'
_computing_structure_solution    'SHELXT-2018/3 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'shelXle (Huebschle, 2014)'
_computing_publication_material  'CIFTAB (Sheldrick, 1997)'
_refine_special_details          SQUEEZE
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1891P)²+0.4949P] 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         11628
_refine_ls_number_parameters     615
_refine_ls_number_restraints     412
_refine_ls_R_factor_all          0.0893
_refine_ls_R_factor_gt           0.0794
_refine_ls_wR_factor_ref         0.2656
_refine_ls_wR_factor_gt          0.2478
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_restrained_S_all      1.039
_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
Rh1 Rh -0.14799(4) 0.29691(3) 0.90735(2) 0.08685(19) Uani 1 1 d . . . . .
Rh2 Rh -0.08856(4) 0.35057(3) 0.76676(2) 0.0934(2) Uani 1 1 d . . . . .
O1_1 O 0.0249(3) 0.2355(3) 0.90346(19) 0.0925(9) Uani 1 1 d . U . . .
C1_1 C 0.1010(5) 0.2497(4) 0.8384(3) 0.0998(14) Uani 1 1 d . U . . .
O2_1 O 0.0791(4) 0.2884(3) 0.7719(2) 0.1027(11) Uani 1 1 d . U . . .
C2_1 C 0.2236(6) 0.2257(6) 0.8385(3) 0.127(2) Uani 1 1 d . U . . .
O3_1 O 0.2622(4) 0.5882(3) 0.2277(2) 0.1020(10) Uani 1 1 d . U . . .
C3_1 C 0.2578(7) 0.1733(10) 0.9062(4) 0.184(4) Uani 1 1 d . U . . .
H3_1 H 0.203230 0.150123 0.950868 0.220 Uiso 1 1 calc R U . . .
O4_1 O 0.3157(4) 0.6361(3) 0.0949(2) 0.1054(10) Uani 1 1 d . U . . .
C4_1 C 0.3748(10) 0.1551(14) 0.9071(6) 0.249(6) Uani 1 1 d . U . . .
H4_1 H 0.397551 0.121002 0.952853 0.299 Uiso 1 1 calc R U . . .
O5_1 O 1.0690(4) 0.2994(4) 0.4393(3) 0.1518(17) Uani 1 1 d . U . . .
C5_1 C 0.4569(9) 0.1881(13) 0.8397(6) 0.230(6) Uani 1 1 d . U . . .
H5_1 H 0.534175 0.176955 0.840830 0.276 Uiso 1 1 calc R U . . .
C6_1 C 0.4239(7) 0.2382(9) 0.7698(5) 0.167(3) Uani 1 1 d . U . . .
C7_1 C 0.3076(6) 0.2562(6) 0.7707(4) 0.129(2) Uani 1 1 d . U . . .
H7_1 H 0.284646 0.289495 0.724910 0.154 Uiso 1 1 calc R U . . .
C8_1 C 0.5085(6) 0.2645(8) 0.7000(4) 0.147(3) Uani 1 1 d . U . . .
C9_1 C 0.5765(6) 0.2919(7) 0.6406(4) 0.139(2) Uani 1 1 d . U . . .
C10_1 C 0.6652(6) 0.3127(6) 0.5691(4) 0.126(2) Uani 1 1 d . U . . .
C11_1 C 0.6333(7) 0.3547(8) 0.4961(5) 0.159(3) Uani 1 1 d . U . . .
H11_1 H 0.555291 0.369179 0.495430 0.191 Uiso 1 1 calc R U . . .
C12_1 C 0.7202(6) 0.3739(7) 0.4259(4) 0.139(2) Uani 1 1 d . U . . .
C13_1 C 0.8351(6) 0.3475(5) 0.4268(3) 0.1181(18) Uani 1 1 d . U . . .
H13_1 H 0.892885 0.357346 0.379643 0.142 Uiso 1 1 calc R U . . .
C14_1 C 0.8674(5) 0.3059(4) 0.4970(3) 0.1014(13) Uani 1 1 d . U . . .
C15_1 C 0.7817(5) 0.2899(5) 0.5684(3) 0.1080(15) Uani 1 1 d . U . . .
H15_1 H 0.803347 0.263994 0.615353 0.130 Uiso 1 1 calc R U . . .
C16_1 C 0.9865(6) 0.2847(5) 0.4971(4) 0.1234(18) Uani 1 1 d . U . . .
H16_1 H 1.003745 0.257170 0.545411 0.148 Uiso 1 1 calc R U . . .
C17_1 C 0.6868(8) 0.4152(8) 0.3533(4) 0.164(3) Uani 1 1 d . U . . .
C18_1 C 0.6520(8) 0.4511(7) 0.2955(5) 0.156(3) Uani 1 1 d . U . . .
C19_1 C 0.6178(9) 0.4869(6) 0.2228(5) 0.141(3) Uani 1 1 d . U . . .
C20_1 C 0.7041(9) 0.4834(7) 0.1489(5) 0.157(3) Uani 1 1 d . U . . .
H20_1 H 0.784115 0.464739 0.145408 0.189 Uiso 1 1 calc R U . . .
C21_1 C 0.6632(8) 0.5095(8) 0.0812(5) 0.158(3) Uani 1 1 d . U . . .
H21_1 H 0.717571 0.501670 0.032528 0.190 Uiso 1 1 calc R U . . .
C22_1 C 0.5495(7) 0.5450(6) 0.0843(4) 0.138(2) Uani 1 1 d . U . . .
H22_1 H 0.526769 0.565255 0.037635 0.165 Uiso 1 1 calc R U . . .
C23_1 C 0.4637(7) 0.5523(4) 0.1565(3) 0.1175(18) Uani 1 1 d . U . . .
C24_1 C 0.5008(7) 0.5210(5) 0.2264(4) 0.121(2) Uani 1 1 d . U . . .
H24_1 H 0.445188 0.523601 0.275186 0.145 Uiso 1 1 calc R U . . .
C25_1 C 0.3365(6) 0.5952(4) 0.1605(3) 0.1010(14) Uani 1 1 d . U . . .
O1_2 O -0.1264(4) 0.4268(3) 0.91889(19) 0.1028(11) Uani 1 1 d . U . . .
C1_2 C -0.0913(5) 0.4880(4) 0.8566(3) 0.1002(14) Uani 1 1 d . U . . .
O2_2 O -0.0730(4) 0.4786(3) 0.78646(19) 0.1020(11) Uani 1 1 d . U . . .
C2_2 C -0.0641(6) 0.5763(4) 0.8689(3) 0.1049(15) Uani 1 1 d . U . . .
O3_2 O 0.1079(3) 0.7815(3) 0.24477(18) 0.0904(9) Uani 1 1 d . U . . .
C3_2 C -0.0734(8) 0.5877(5) 0.9442(4) 0.130(2) Uani 1 1 d . U . . .
H3_2 H -0.098750 0.540380 0.987726 0.156 Uiso 1 1 calc R U . . .
O4_2 O 0.1666(3) 0.8302(3) 0.11223(18) 0.0875(8) Uani 1 1 d . U . . .
C4_2 C -0.0456(8) 0.6681(5) 0.9551(4) 0.138(3) Uani 1 1 d . U . . .
H4_2 H -0.055244 0.676004 1.006112 0.166 Uiso 1 1 calc R U . . .
O5_2 O 0.2854(4) 1.2260(3) 0.5873(2) 0.1272(13) Uani 1 1 d . U . . .
C5_2 C -0.0050(7) 0.7350(5) 0.8935(4) 0.1192(19) Uani 1 1 d . U . . .
H5_2 H 0.016118 0.787626 0.901777 0.143 Uiso 1 1 calc R U . . .
C6_2 C 0.0061(5) 0.7264(4) 0.8169(3) 0.0976(14) Uani 1 1 d . U . . .
C7_2 C -0.0225(5) 0.6455(4) 0.8050(3) 0.0951(13) Uani 1 1 d . U . . .
H7_2 H -0.013583 0.638164 0.753980 0.114 Uiso 1 1 calc R U . . .
C8_2 C 0.0504(5) 0.8004(4) 0.7509(4) 0.1023(14) Uani 1 1 d . U . . .
C9_2 C 0.0851(5) 0.8644(4) 0.6988(3) 0.1012(14) Uani 1 1 d . U . . .
C10_2 C 0.1262(5) 0.9429(4) 0.6406(3) 0.0972(13) Uani 1 1 d . U . . .
C11_2 C 0.1357(5) 0.9508(4) 0.5618(4) 0.1032(15) Uani 1 1 d . U . . .
H11_2 H 0.113794 0.903564 0.546755 0.124 Uiso 1 1 calc R U . . .
C12_2 C 0.1763(5) 1.0258(4) 0.5052(3) 0.0953(13) Uani 1 1 d . U . . .
C13_2 C 0.2127(5) 1.0949(4) 0.5267(3) 0.0966(13) Uani 1 1 d . U . . .
H13_2 H 0.242349 1.145264 0.488586 0.116 Uiso 1 1 calc R U . . .
C14_2 C 0.2044(5) 1.0878(4) 0.6055(3) 0.0969(13) Uani 1 1 d . U . . .
C15_2 C 0.1608(5) 1.0129(4) 0.6625(3) 0.0983(13) Uani 1 1 d . U . . .
H15_2 H 0.154697 1.009350 0.715393 0.118 Uiso 1 1 calc R U . . .
C16_2 C 0.2427(6) 1.1601(4) 0.6313(4) 0.1135(16) Uani 1 1 d . U . . .
H16_2 H 0.232766 1.153654 0.685104 0.136 Uiso 1 1 calc R U . . .
C17_2 C 0.1869(5) 1.0293(4) 0.4225(3) 0.1042(14) Uani 1 1 d . U . . .
C18_2 C 0.1940(5) 1.0279(4) 0.3562(3) 0.0984(13) Uani 1 1 d . U . . .
C19_2 C 0.2026(5) 1.0194(4) 0.2781(3) 0.0951(13) Uani 1 1 d . U . . .
C20_2 C 0.2447(5) 1.0882(4) 0.2115(4) 0.1062(16) Uani 1 1 d . U . . .
H20_2 H 0.265046 1.142601 0.217668 0.127 Uiso 1 1 calc R U . . .
C21_2 C 0.2555(6) 1.0746(5) 0.1370(4) 0.1063(16) Uani 1 1 d . U . . .
H21_2 H 0.286565 1.118503 0.092833 0.128 Uiso 1 1 calc R U . . .
C22_2 C 0.2210(5) 0.9969(4) 0.1270(3) 0.0988(14) Uani 1 1 d . U . . .
H22_2 H 0.226619 0.989879 0.076467 0.119 Uiso 1 1 calc R U . . .
C23_2 C 0.1775(4) 0.9287(3) 0.1927(3) 0.0881(11) Uani 1 1 d . U . . .
C24_2 C 0.1689(5) 0.9406(4) 0.2675(3) 0.0880(11) Uani 1 1 d . U . . .
H24_2 H 0.140128 0.895286 0.311341 0.106 Uiso 1 1 calc R U . . .
C25_2 C 0.1483(4) 0.8394(4) 0.1823(2) 0.0861(11) Uani 1 1 d . U . . .
N1_3 N -0.2122(4) 0.2523(3) 1.0384(2) 0.0888(10) Uani 1 1 d . U . . .
C2_3 C -0.2585(6) 0.2473(5) 1.1033(3) 0.1177(17) Uani 1 1 d . U . . .
C3_3 C -0.3193(7) 0.2315(7) 1.1866(4) 0.152(3) Uani 1 1 d . U . . .
H3A_3 H -0.398042 0.273745 1.194793 0.228 Uiso 1 1 calc R U . . .
H3B_3 H -0.278339 0.248047 1.215717 0.228 Uiso 1 1 calc R U . . .
H3C_3 H -0.321974 0.162201 1.204457 0.228 Uiso 1 1 calc R U . . .
N1_4 N -0.0063(6) 0.3970(4) 0.6347(3) 0.1259(19) Uani 1 1 d . U . . .
C2_4 C 0.0795(8) 0.4096(5) 0.5801(5) 0.151(3) Uani 1 1 d . U . . .
C3_4 C 0.1743(7) 0.4335(5) 0.5056(6) 0.160(3) Uani 1 1 d . U . . .
H3A_4 H 0.219632 0.372654 0.485756 0.240 Uiso 1 1 calc R U . . .
H3B_4 H 0.225008 0.462724 0.517463 0.240 Uiso 1 1 calc R U . . .
H3C_4 H 0.138521 0.480251 0.466474 0.240 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
Rh1 O4_1_$1 2.011(4) 2_566 ?
Rh1 O1_2 2.023(3) . ?
Rh1 O4_2_$1 2.029(3) 2_566 ?
Rh1 O1_1 2.034(4) . ?
Rh1 N1_3 2.235(4) . ?
Rh1 Rh2 2.3995(9) . ?
Rh2 O2_1 2.015(5) . ?
Rh2 O2_2 2.026(3) . ?
Rh2 O3_1_$1 2.037(4) 2_566 ?
Rh2 O3_2_$1 2.041(3) 2_566 ?
Rh2 N1_4 2.287(5) . ?
O1_1 C1_1 1.262(5) . ?
C1_1 O2_1 1.272(6) . ?
C1_1 C2_1 1.456(8) . ?
C2_1 C3_1 1.385(10) . ?
C2_1 C7_1 1.396(8) . ?
O3_1 C25_1 1.267(6) . ?
C3_1 C4_1 1.401(12) . ?
O4_1 C25_1 1.256(6) . ?
C4_1 C5_1 1.393(14) . ?
O5_1 C16_1 1.228(7) . ?
C5_1 C6_1 1.406(14) . ?
C6_1 C7_1 1.384(10) . ?
C6_1 C8_1 1.405(10) . ?
C8_1 C9_1 1.190(10) . ?
C9_1 C10_1 1.433(9) . ?
C10_1 C15_1 1.378(8) . ?
C10_1 C11_1 1.437(9) . ?
C11_1 C12_1 1.401(11) . ?
C12_1 C13_1 1.362(9) . ?
C12_1 C17_1 1.439(9) . ?
C13_1 C14_1 1.393(8) . ?
C14_1 C15_1 1.398(7) . ?
C14_1 C16_1 1.416(8) . ?
C17_1 C18_1 1.197(10) . ?
C18_1 C19_1 1.442(9) . ?
C19_1 C24_1 1.367(11) . ?
C19_1 C20_1 1.418(12) . ?
C20_1 C21_1 1.405(10) . ?
C21_1 C22_1 1.331(11) . ?
C22_1 C23_1 1.398(9) . ?
C23_1 C24_1 1.412(8) . ?
C23_1 C25_1 1.489(9) . ?
O1_2 C1_2 1.273(5) . ?
C1_2 O2_2 1.260(5) . ?
C1_2 C2_2 1.489(6) . ?
C2_2 C7_2 1.380(7) . ?
C2_2 C3_2 1.389(7) . ?
O3_2 C25_2 1.269(5) . ?
C3_2 C4_2 1.373(9) . ?
O4_2 C25_2 1.257(5) . ?
C4_2 C5_2 1.335(9) . ?
O5_2 C16_2 1.199(6) . ?
C5_2 C6_2 1.392(8) . ?
C6_2 C7_2 1.394(7) . ?
C6_2 C8_2 1.453(8) . ?
C8_2 C9_2 1.197(8) . ?
C9_2 C10_2 1.415(8) . ?
C10_2 C11_2 1.379(8) . ?
C10_2 C15_2 1.393(6) . ?
C11_2 C12_2 1.367(8) . ?
C12_2 C13_2 1.390(6) . ?
C12_2 C17_2 1.457(7) . ?
C13_2 C14_2 1.385(7) . ?
C14_2 C15_2 1.381(7) . ?
C14_2 C16_2 1.492(7) . ?
C17_2 C18_2 1.189(7) . ?
C18_2 C19_2 1.427(7) . ?
C19_2 C24_2 1.392(7) . ?
C19_2 C20_2 1.405(8) . ?
C20_2 C21_2 1.382(8) . ?
C21_2 C22_2 1.379(8) . ?
C22_2 C23_2 1.397(7) . ?
C23_2 C24_2 1.383(6) . ?
C23_2 C25_2 1.501(6) . ?
N1_3 C2_3 1.126(7) . ?
C2_3 C3_3 1.445(8) . ?
N1_4 C2_4 1.217(10) . ?
C2_4 C3_4 1.515(11) . ?

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
O4_1 Rh1 O1_2 90.91(18) 2_566 . ?
O4_1 Rh1 O4_2_$1 88.89(16) 2_566 2_566 ?
O1_2 Rh1 O4_2_$1 176.14(11) . 2_566 ?
O4_1 Rh1 O1_1 176.40(13) 2_566 . ?
O1_2 Rh1 O1_1 87.31(17) . . ?
O4_2 Rh1 O1_1 92.66(14) 2_566 . ?
O4_1 Rh1 N1_3 88.59(16) 2_566 . ?
O1_2 Rh1 N1_3 91.32(14) . . ?
O4_2 Rh1 N1_3 92.53(14) 2_566 . ?
O1_1 Rh1 N1_3 94.58(15) . . ?
O4_1 Rh1 Rh2 88.61(11) 2_566 . ?
O1_2 Rh1 Rh2 88.01(10) . . ?
O4_2 Rh1 Rh2 88.13(9) 2_566 . ?
O1_1 Rh1 Rh2 88.19(10) . . ?
N1_3 Rh1 Rh2 177.12(11) . . ?
O2_1 Rh2 O2_2 87.33(17) . . ?
O2_1 Rh2 O3_1_$1 174.90(12) . 2_566 ?
O2_2 Rh2 O3_1_$1 91.49(17) . 2_566 ?
O2_1 Rh2 O3_2_$1 92.53(16) . 2_566 ?
O2_2 Rh2 O3_2_$1 176.02(11) . 2_566 ?
O3_1 Rh2 O3_2_$1 88.30(15) 2_566 2_566 ?
O2_1 Rh2 N1_4 84.7(2) . . ?
O2_2 Rh2 N1_4 89.67(15) . . ?
O3_1 Rh2 N1_4 100.2(2) 2_566 . ?
O3_2 Rh2 N1_4 94.28(15) 2_566 . ?
O2_1 Rh2 Rh1 87.57(10) . . ?
O2_2 Rh2 Rh1 88.07(10) . . ?
O3_1 Rh2 Rh1 87.43(10) 2_566 . ?
O3_2 Rh2 Rh1 87.95(9) 2_566 . ?
N1_4 Rh2 Rh1 172.06(17) . . ?
C1_1 O1_1 Rh1 118.4(4) . . ?
O1_1 C1_1 O2_1 125.3(5) . . ?
O1_1 C1_1 C2_1 118.5(5) . . ?
O2_1 C1_1 C2_1 116.2(4) . . ?
C1_1 O2_1 Rh2 119.9(3) . . ?
C3_1 C2_1 C7_1 119.5(6) . . ?
C3_1 C2_1 C1_1 120.2(5) . . ?
C7_1 C2_1 C1_1 120.3(6) . . ?
C25_1 O3_1 Rh2_$1 118.2(3) . 2_566 ?
C2_1 C3_1 C4_1 119.9(8) . . ?
C25_1 O4_1 Rh1_$1 118.5(4) . 2_566 ?
C5_1 C4_1 C3_1 120.0(10) . . ?
C4_1 C5_1 C6_1 120.5(9) . . ?
C7_1 C6_1 C8_1 121.0(8) . . ?
C7_1 C6_1 C5_1 118.4(7) . . ?
C8_1 C6_1 C5_1 120.5(8) . . ?
C6_1 C7_1 C2_1 121.8(7) . . ?
C9_1 C8_1 C6_1 176.5(11) . . ?
C8_1 C9_1 C10_1 173.3(10) . . ?
C15_1 C10_1 C9_1 121.2(6) . . ?
C15_1 C10_1 C11_1 119.1(6) . . ?
C9_1 C10_1 C11_1 119.6(6) . . ?
C12_1 C11_1 C10_1 119.7(6) . . ?
C13_1 C12_1 C11_1 119.7(6) . . ?
C13_1 C12_1 C17_1 121.2(7) . . ?
C11_1 C12_1 C17_1 118.9(7) . . ?
C12_1 C13_1 C14_1 121.1(6) . . ?
C13_1 C14_1 C15_1 120.2(5) . . ?
C13_1 C14_1 C16_1 120.1(5) . . ?
C15_1 C14_1 C16_1 119.6(5) . . ?
C10_1 C15_1 C14_1 120.0(5) . . ?
O5_1 C16_1 C14_1 126.1(7) . . ?
C18_1 C17_1 C12_1 176.0(10) . . ?
C17_1 C18_1 C19_1 174.8(10) . . ?
C24_1 C19_1 C20_1 120.7(6) . . ?
C24_1 C19_1 C18_1 118.8(8) . . ?
C20_1 C19_1 C18_1 120.4(8) . . ?
C21_1 C20_1 C19_1 116.9(8) . . ?
C22_1 C21_1 C20_1 122.4(8) . . ?
C21_1 C22_1 C23_1 121.1(6) . . ?
C22_1 C23_1 C24_1 118.2(7) . . ?
C22_1 C23_1 C25_1 121.6(5) . . ?
C24_1 C23_1 C25_1 120.2(6) . . ?
C19_1 C24_1 C23_1 120.5(7) . . ?
O4_1 C25_1 O3_1 127.2(6) . . ?
O4_1 C25_1 C23_1 114.5(5) . . ?
O3_1 C25_1 C23_1 118.3(4) . . ?
C1_2 O1_2 Rh1 118.7(3) . . ?
O2_2 C1_2 O1_2 126.4(4) . . ?
O2_2 C1_2 C2_2 117.5(4) . . ?
O1_2 C1_2 C2_2 116.0(4) . . ?
C1_2 O2_2 Rh2 118.7(3) . . ?
C7_2 C2_2 C3_2 118.7(5) . . ?
C7_2 C2_2 C1_2 120.4(4) . . ?
C3_2 C2_2 C1_2 120.8(5) . . ?
C25_2 O3_2 Rh2_$1 117.8(3) . 2_566 ?
C4_2 C3_2 C2_2 120.7(6) . . ?
C25_2 O4_2 Rh1_$1 118.6(3) . 2_566 ?
C5_2 C4_2 C3_2 120.8(6) . . ?
C4_2 C5_2 C6_2 120.5(6) . . ?
C5_2 C6_2 C7_2 119.3(5) . . ?
C5_2 C6_2 C8_2 119.3(5) . . ?
C7_2 C6_2 C8_2 121.4(5) . . ?
C2_2 C7_2 C6_2 120.0(5) . . ?
C9_2 C8_2 C6_2 177.1(6) . . ?
C8_2 C9_2 C10_2 176.6(6) . . ?
C11_2 C10_2 C15_2 118.6(5) . . ?
C11_2 C10_2 C9_2 121.7(5) . . ?
C15_2 C10_2 C9_2 119.7(5) . . ?
C12_2 C11_2 C10_2 122.0(5) . . ?
C11_2 C12_2 C13_2 119.4(5) . . ?
C11_2 C12_2 C17_2 119.7(4) . . ?
C13_2 C12_2 C17_2 120.8(5) . . ?
C14_2 C13_2 C12_2 119.3(5) . . ?
C15_2 C14_2 C13_2 120.8(4) . . ?
C15_2 C14_2 C16_2 118.1(5) . . ?
C13_2 C14_2 C16_2 121.1(5) . . ?
C14_2 C15_2 C10_2 119.8(5) . . ?
O5_2 C16_2 C14_2 124.3(5) . . ?
C18_2 C17_2 C12_2 176.9(6) . . ?
C17_2 C18_2 C19_2 176.3(6) . . ?
C24_2 C19_2 C20_2 119.1(5) . . ?
C24_2 C19_2 C18_2 119.2(5) . . ?
C20_2 C19_2 C18_2 121.8(5) . . ?
C21_2 C20_2 C19_2 119.6(5) . . ?
C22_2 C21_2 C20_2 121.0(5) . . ?
C21_2 C22_2 C23_2 120.0(5) . . ?
C24_2 C23_2 C22_2 119.3(4) . . ?
C24_2 C23_2 C25_2 120.1(4) . . ?
C22_2 C23_2 C25_2 120.4(4) . . ?
C23_2 C24_2 C19_2 121.1(5) . . ?
O4_2 C25_2 O3_2 127.0(4) . . ?
O4_2 C25_2 C23_2 116.2(4) . . ?
O3_2 C25_2 C23_2 116.8(4) . . ?
C2_3 N1_3 Rh1 167.1(5) . . ?
N1_3 C2_3 C3_3 174.5(7) . . ?
C2_4 N1_4 Rh2 149.9(6) . . ?
N1_4 C2_4 C3_4 172.2(9) . . ?

_refine_diff_density_max         2.545
_refine_diff_density_min         -0.644
_refine_diff_density_rms         0.114




_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: MeCN, DMF'
####################################################################### 
# 
# 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_3
_database_code_depnum_ccdc_archive 'CCDC 2106777'
loop_
_audit_author_name
_audit_author_address
'Witold Bloch'
;University of Adelaide 
Australia
;
_audit_update_record             
;
2021-09-01 deposited with the CCDC.	2021-11-30 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_THETM01_3                   
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.550
RESPONSE: Despite several attempts to measure multiple crystals of the same sample, there was a clear resolution cut-off beyond 0.95 Anstroms, despite using a highly brilliant synchrotron source. Therefore, the data set was cut to this resolution limit which improved the wR2 from 0.38 to 0.32
;
_vrf_PLAT029_3                   
;
PROBLEM: _diffrn_measured_fraction_theta_full value Low .      0.895 Why?
RESPONSE: Due to geometry constraints of the endstation only a single omega sweep was able to be collected at the Australian Synchrotron MX2 beamline. The triclinic crystals were sensitive to solvent loss and a more complete data set could not be collected.
;
# Added during the CSD deposition process: Wednesday 01 September 2021 07:24 AM
# end Validation Reply Form


_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C110 H75 Cu2 F2 N5 O24 Rh2'
_chemical_formula_weight         2221.65

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
Cu Cu 0.3201 1.2651 '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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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'

_cell_length_a                   16.053(3)
_cell_length_b                   16.197(3)
_cell_length_c                   35.627(7)
_cell_angle_alpha                93.94(3)
_cell_angle_beta                 102.90(3)
_cell_angle_gamma                93.78(3)
_cell_volume                     8977(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    23811
_cell_measurement_theta_min      0.80
_cell_measurement_theta_max      34.60

_exptl_crystal_description       rod
_exptl_crystal_colour            blue
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    0.822
_exptl_crystal_F_000             2256
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.03
_exptl_absorpt_coefficient_mu    0.460
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           Synchrotron
_diffrn_source                   'MX2 Beamline Australian Synchrotron'
_diffrn_measurement_device_type  'ADSC Quantum 315r'
_diffrn_measurement_method       'Phi Scan'
_diffrn_radiation_monochromator  'Silicon Double Crystal'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            46753
_diffrn_reflns_av_unetI/netI     0.0304
_diffrn_reflns_av_R_equivalents  0.0363
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_theta_min         1.177
_diffrn_reflns_theta_max         18.847
_diffrn_reflns_theta_full        18.847
_diffrn_measured_fraction_theta_max 0.895
_diffrn_measured_fraction_theta_full 0.895
_diffrn_reflns_Laue_measured_fraction_max 0.895
_diffrn_reflns_Laue_measured_fraction_full 0.895
_diffrn_reflns_point_group_measured_fraction_max 0.895
_diffrn_reflns_point_group_measured_fraction_full 0.895
_reflns_number_total             12645
_reflns_number_gt                8008
_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.
 
 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       'BluIce (McPhillips, 2002)'
_computing_cell_refinement       'XDS (Kabsch, 1993)'
_computing_data_reduction        'XDS (Kabsch, 1993)'
_computing_structure_solution    'SHELXT-2018/3 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'shelXle (Huebschle, 2014)'
_computing_publication_material  'CIFTAB (Sheldrick, 1997)'
_refine_special_details          SQUEEZE
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_extinction_coef       0.0011(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         12645
_refine_ls_number_parameters     1329
_refine_ls_number_restraints     1413
_refine_ls_R_factor_all          0.1181
_refine_ls_R_factor_gt           0.0938
_refine_ls_wR_factor_ref         0.3252
_refine_ls_wR_factor_gt          0.2981
_refine_ls_goodness_of_fit_ref   1.225
_refine_ls_restrained_S_all      1.212
_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
Rh01 Rh 1.01805(7) 0.36302(6) 0.31075(2) 0.1438(5) Uani 1 1 d . U . . .
Cu1 Cu 0.67758(10) 0.71721(9) -0.01492(4) 0.1509(6) Uani 1 1 d . U . . .
Rh02 Rh 1.02036(7) 0.41364(6) 0.37574(3) 0.1485(5) Uani 1 1 d D U . . .
O2 O 1.0257(6) 0.4612(6) 0.4387(3) 0.209(4) Uani 1 1 d D . . . .
Cu04 Cu 0.21849(11) 0.15553(9) 0.02348(4) 0.1581(7) Uani 1 1 d . U . . .
O00N O 0.1430(6) 0.0438(8) 0.0330(3) 0.234(5) Uani 1 1 d . . . . .
O00O O 0.5949(5) 0.6142(5) -0.0079(2) 0.179(3) Uani 1 1 d . . . . .
O1_1 O 0.8954(6) 0.3315(5) 0.3046(2) 0.165(3) Uani 1 1 d D U . . .
C1_1 C 0.8587(8) 0.3454(7) 0.3333(4) 0.166(5) Uani 1 1 d D U . . .
O2_1 O 0.8955(6) 0.3813(5) 0.3653(2) 0.166(3) Uani 1 1 d D U . . .
C2_1 C 0.7646(7) 0.3286(9) 0.3240(3) 0.228(6) Uani 1 1 d D U . . .
O3_1 O 0.8495(5) 0.5539(5) 0.6170(2) 0.156(3) Uani 1 1 d D U . . .
C3_1 C 0.7177(10) 0.3159(12) 0.2860(4) 0.312(10) Uani 1 1 d D U . . .
H3_1 H 0.746316 0.310231 0.266124 0.375 Uiso 1 1 calc R U . . .
O4_1 O 0.8555(6) 0.6012(5) 0.6786(2) 0.161(3) Uani 1 1 d D U . . .
C4_1 C 0.6284(10) 0.3115(13) 0.2772(4) 0.325(10) Uani 1 1 d D U . . .
H4_1 H 0.597797 0.307370 0.251637 0.389 Uiso 1 1 calc R U . . .
O5_1 O 0.2320(9) 0.2553(10) 0.3928(4) 0.272(6) Uani 1 1 d D U . . .
C6_1 C 0.6325(8) 0.3196(10) 0.3454(4) 0.272(8) Uani 1 1 d D U . . .
C7_1 C 0.7209(8) 0.3311(9) 0.3534(3) 0.200(6) Uani 1 1 d D U . . .
H7_1 H 0.751550 0.340735 0.378922 0.240 Uiso 1 1 calc R U . . .
C8_1 C 0.5883(9) 0.3141(12) 0.3763(4) 0.251(7) Uani 1 1 d D U . . .
C9_1 C 0.5472(9) 0.3212(10) 0.4004(4) 0.215(6) Uani 1 1 d D U . . .
C10_1 C 0.4929(7) 0.3305(8) 0.4271(3) 0.188(5) Uani 1 1 d D U . . .
C11_1 C 0.5270(7) 0.3657(8) 0.4646(3) 0.177(5) Uani 1 1 d D U . . .
H11_1 H 0.585049 0.383262 0.472297 0.213 Uiso 1 1 calc R U . . .
C12_1 C 0.4747(8) 0.3745(7) 0.4905(3) 0.182(5) Uani 1 1 d D U . . .
C13_1 C 0.3881(7) 0.3485(9) 0.4786(4) 0.220(6) Uani 1 1 d D U . . .
H13_1 H 0.352769 0.354179 0.495870 0.263 Uiso 1 1 calc R U . . .
C14_1 C 0.3535(8) 0.3139(8) 0.4410(4) 0.222(6) Uani 1 1 d D U . . .
C15_1 C 0.4066(8) 0.3036(9) 0.4150(4) 0.207(6) Uani 1 1 d D U . . .
H15_1 H 0.384399 0.279063 0.390103 0.249 Uiso 1 1 calc R U . . .
C16_1 C 0.2614(9) 0.2877(13) 0.4278(5) 0.286(10) Uani 1 1 d D U . . .
H16_1 H 0.224749 0.294445 0.444463 0.343 Uiso 1 1 calc R U . . .
C17_1 C 0.5099(8) 0.4113(9) 0.5292(3) 0.190(5) Uani 1 1 d D U . . .
C18_1 C 0.5456(8) 0.4419(8) 0.5606(3) 0.190(5) Uani 1 1 d D U . . .
C19_1 C 0.5926(8) 0.4780(7) 0.5980(3) 0.190(5) Uani 1 1 d D U . . .
C20_1 C 0.5519(8) 0.4853(8) 0.6289(4) 0.204(6) Uani 1 1 d D U . . .
H20_1 H 0.494319 0.467102 0.625236 0.245 Uiso 1 1 calc R U . . .
C21_1 C 0.5974(9) 0.5196(9) 0.6646(3) 0.211(6) Uani 1 1 d D U . . .
H21_1 H 0.569918 0.525189 0.684909 0.254 Uiso 1 1 calc R U . . .
C22_1 C 0.6837(9) 0.5459(8) 0.6707(3) 0.185(5) Uani 1 1 d D U . . .
H22_1 H 0.713787 0.568868 0.695021 0.222 Uiso 1 1 calc R U . . .
C23_1 C 0.7250(7) 0.5380(6) 0.6407(3) 0.162(4) Uani 1 1 d D U . . .
C24_1 C 0.6794(7) 0.5045(7) 0.6043(3) 0.166(4) Uani 1 1 d D U . . .
H24_1 H 0.707005 0.499747 0.583965 0.199 Uiso 1 1 calc R U . . .
C25_1 C 0.8159(7) 0.5670(7) 0.6472(4) 0.152(4) Uani 1 1 d D U . . .
C5_1 C 0.5859(9) 0.3134(13) 0.3070(4) 0.324(10) Uani 1 1 d D U . . .
H5_1 H 0.526321 0.310551 0.301415 0.389 Uiso 1 1 calc R U . . .
O1_2 O 1.0435(5) 0.2527(4) 0.3307(2) 0.153(2) Uani 1 1 d D U . . .
C1_2 C 1.0499(7) 0.2433(7) 0.3670(3) 0.153(4) Uani 1 1 d D U . . .
O2_2 O 1.0423(5) 0.2977(5) 0.3919(2) 0.151(3) Uani 1 1 d D U . . .
C2_2 C 1.0629(7) 0.1563(6) 0.3780(3) 0.161(4) Uani 1 1 d D U . . .
O3_2 O 1.0085(5) 0.4742(4) 0.6447(2) 0.145(2) Uani 1 1 d D U . . .
C3_2 C 1.0614(9) 0.0911(8) 0.3498(3) 0.211(6) Uani 1 1 d D U . . .
H3_2 H 1.051620 0.101649 0.323963 0.253 Uiso 1 1 calc R U . . .
O4_2 O 1.0096(5) 0.5222(5) 0.7066(2) 0.157(3) Uani 1 1 d D U . . .
C5_2 C 1.0868(10) -0.0049(7) 0.3988(4) 0.229(6) Uani 1 1 d D U . . .
H5_2 H 1.094101 -0.058621 0.405944 0.275 Uiso 1 1 calc R U . . .
C6_2 C 1.0885(7) 0.0598(7) 0.4267(3) 0.186(5) Uani 1 1 d D U . . .
C7_2 C 1.0773(7) 0.1408(7) 0.4167(3) 0.176(5) Uani 1 1 d D U . . .
H7_2 H 1.079447 0.183805 0.435681 0.211 Uiso 1 1 calc R U . . .
C8_2 C 1.1008(9) 0.0439(8) 0.4665(3) 0.199(5) Uani 1 1 d D U . . .
C9_2 C 1.1111(9) 0.0302(8) 0.5000(3) 0.186(5) Uani 1 1 d D U . . .
C10_2 C 1.1188(7) 0.0144(6) 0.5396(3) 0.187(5) Uani 1 1 d D U . . .
C11_2 C 1.1127(8) 0.0776(6) 0.5670(3) 0.187(5) Uani 1 1 d D U . . .
H11_2 H 1.103920 0.130788 0.559363 0.225 Uiso 1 1 calc R U . . .
C12_2 C 1.1195(7) 0.0630(6) 0.6056(3) 0.190(5) Uani 1 1 d D U . . .
C13_2 C 1.1348(8) -0.0154(6) 0.6176(3) 0.200(5) Uani 1 1 d D U . . .
H13_2 H 1.140884 -0.025253 0.643482 0.240 Uiso 1 1 calc R U . . .
C14_2 C 1.1410(7) -0.0793(6) 0.5904(3) 0.194(5) Uani 1 1 d D U . . .
C15_2 C 1.1313(8) -0.0652(6) 0.5517(3) 0.194(5) Uani 1 1 d D U . . .
H15_2 H 1.133277 -0.108917 0.533624 0.233 Uiso 1 1 calc R U . . .
C17_2 C 1.1086(9) 0.1299(7) 0.6326(3) 0.191(5) Uani 1 1 d D U . . .
C18_2 C 1.1022(8) 0.1825(6) 0.6566(3) 0.176(5) Uani 1 1 d D U . . .
C19_2 C 1.0911(7) 0.2504(6) 0.6827(3) 0.179(4) Uani 1 1 d D U . . .
C20_2 C 1.1060(9) 0.2423(7) 0.7219(3) 0.216(6) Uani 1 1 d D U . . .
H20_2 H 1.125446 0.193140 0.731236 0.259 Uiso 1 1 calc R U . . .
C21_2 C 1.0929(9) 0.3048(8) 0.7474(3) 0.224(6) Uani 1 1 d D U . . .
H21_2 H 1.103746 0.297763 0.773663 0.269 Uiso 1 1 calc R U . . .
C22_2 C 1.0635(8) 0.3792(7) 0.7340(3) 0.190(5) Uani 1 1 d D U . . .
H22_2 H 1.054910 0.421953 0.751155 0.228 Uiso 1 1 calc R U . . .
C23_2 C 1.0474(7) 0.3878(5) 0.6950(3) 0.161(4) Uani 1 1 d D U . . .
C24_2 C 1.0621(7) 0.3243(6) 0.6699(3) 0.167(4) Uani 1 1 d D U . . .
H24_2 H 1.052252 0.331593 0.643686 0.201 Uiso 1 1 calc R U . . .
C25_2 C 1.0187(7) 0.4679(7) 0.6813(4) 0.154(4) Uani 1 1 d D U . . .
C4_2 C 1.0743(10) 0.0108(7) 0.3600(4) 0.232(7) Uani 1 1 d D U . . .
H4_2 H 1.074574 -0.031825 0.341140 0.279 Uiso 1 1 calc R U . . .
O5_2^a O 1.1680(18) -0.2176(12) 0.5744(7) 0.263(14) Uani 0.47(2) 1 d D U P A 1
C16_2^a C 1.159(2) -0.1643(11) 0.6001(8) 0.255(13) Uani 0.47(2) 1 d D U P A 1
H16_2^a H 1.164059 -0.178319 0.625322 0.306 Uiso 0.47(2) 1 calc R U P A 1
O5_2^b O 1.1544(15) -0.1750(12) 0.6398(5) 0.241(11) Uani 0.53(2) 1 d D U P A 2
C16_2^b C 1.1509(18) -0.1619(10) 0.6051(7) 0.242(12) Uani 0.53(2) 1 d D U P A 2
H16A_2^b H 1.154711 -0.206486 0.587818 0.290 Uiso 0.53(2) 1 calc R U P A 2
O1_3 O 0.8408(6) 0.8259(6) 0.0296(2) 0.168(3) Uani 1 1 d D U . . .
C1_3 C 0.8242(8) 0.7594(9) 0.0451(3) 0.168(5) Uani 1 1 d D U . . .
N1_3 N 1.0152(6) 0.3155(5) 0.2504(2) 0.146(3) Uani 1 1 d D U . . .
H1A_3 H 1.064961 0.331184 0.244878 0.176 Uiso 1 1 calc R U . . .
H1AB_3 H 1.009572 0.260282 0.248634 0.176 Uiso 1 1 calc R U . . .
F1_3 F 0.7451(5) 0.4413(5) 0.1536(2) 0.190(3) Uani 1 1 d D U . . .
O2_3 O 0.7647(5) 0.7077(5) 0.0310(2) 0.150(3) Uani 1 1 d D U . . .
C2_3 C 0.8835(7) 0.7521(7) 0.0835(3) 0.162(4) Uani 1 1 d D U . . .
O3_3 O 0.3959(5) 0.2504(5) 0.0647(2) 0.158(3) Uani 1 1 d D U . . .
C3_3 C 0.9481(9) 0.8123(8) 0.1007(4) 0.213(6) Uani 1 1 d D U . . .
H3_3 H 0.956377 0.859910 0.088288 0.255 Uiso 1 1 calc R U . . .
O4_3 O 0.2949(6) 0.1588(5) 0.0752(2) 0.158(3) Uani 1 1 d D U . . .
C5_3 C 0.9906(8) 0.7301(8) 0.1543(4) 0.204(6) Uani 1 1 d D U . . .
H5_3 H 1.026646 0.722910 0.178000 0.245 Uiso 1 1 calc R U . . .
C6_3 C 0.9269(7) 0.6691(6) 0.1370(3) 0.157(4) Uani 1 1 d D U . . .
C7_3 C 0.8730(7) 0.6808(7) 0.1017(3) 0.153(4) Uani 1 1 d D U . . .
H7_3 H 0.829259 0.640195 0.090317 0.184 Uiso 1 1 calc R U . . .
C8_3 C 0.9139(8) 0.5938(6) 0.1549(3) 0.155(4) Uani 1 1 d D U . . .
C9_3 C 0.9034(8) 0.5285(6) 0.1672(3) 0.154(4) Uani 1 1 d D U . . .
C10_3 C 0.8934(6) 0.4509(5) 0.1837(3) 0.157(4) Uani 1 1 d D U . . .
C11_3 C 0.8120(6) 0.4094(6) 0.1766(3) 0.172(5) Uani 1 1 d D U . . .
C12_3 C 0.7987(6) 0.3345(6) 0.1923(3) 0.166(4) Uani 1 1 d D U . . .
C13_3 C 0.8686(7) 0.3031(7) 0.2155(3) 0.155(4) Uani 1 1 d D U . . .
H13_3 H 0.860928 0.253094 0.226099 0.186 Uiso 1 1 calc R U . . .
C14_3 C 0.9485(7) 0.3437(6) 0.2230(2) 0.138(4) Uani 1 1 d D U . . .
C15_3 C 0.9617(6) 0.4175(6) 0.2074(3) 0.140(4) Uani 1 1 d D U . . .
H15_3 H 1.016271 0.444987 0.212695 0.168 Uiso 1 1 calc R U . . .
C16_3 C 0.7150(7) 0.2911(8) 0.1843(4) 0.179(6) Uani 1 1 d D U . . .
C17_3 C 0.6447(7) 0.2568(8) 0.1786(4) 0.170(5) Uani 1 1 d D U . . .
C18_3 C 0.5587(6) 0.2196(7) 0.1685(3) 0.163(4) Uani 1 1 d D U . . .
C19_3 C 0.5287(8) 0.1690(8) 0.1932(3) 0.187(5) Uani 1 1 d D U . . .
H19_3 H 0.564109 0.161081 0.216943 0.224 Uiso 1 1 calc R U . . .
C20_3 C 0.4464(9) 0.1299(8) 0.1829(3) 0.193(5) Uani 1 1 d D U . . .
H20_3 H 0.427307 0.095845 0.199817 0.232 Uiso 1 1 calc R U . . .
C21_3 C 0.3923(7) 0.1411(7) 0.1479(3) 0.168(4) Uani 1 1 d D U . . .
H21_3 H 0.337167 0.114681 0.140898 0.202 Uiso 1 1 calc R U . . .
C22_3 C 0.4227(7) 0.1934(6) 0.1230(3) 0.150(4) Uani 1 1 d D U . . .
C23_3 C 0.5040(7) 0.2332(6) 0.1334(3) 0.151(4) Uani 1 1 d D U . . .
H23_3 H 0.522544 0.269107 0.117061 0.181 Uiso 1 1 calc R U . . .
C24_3 C 0.3676(8) 0.2021(8) 0.0847(3) 0.154(4) Uani 1 1 d D U . . .
C4_3 C 1.0005(8) 0.8021(8) 0.1363(4) 0.237(7) Uani 1 1 d D U . . .
H4_3 H 1.042691 0.843734 0.148174 0.285 Uiso 1 1 calc R U . . .
O1_4 O 0.7034(6) 0.9095(5) -0.0019(2) 0.176(3) Uani 1 1 d D U . . .
C1_4 C 0.6468(8) 0.8760(8) 0.0136(3) 0.164(5) Uani 1 1 d D U . . .
N1_4 N 0.2345(11) 0.9101(10) 0.2168(5) 0.317(9) Uani 1 1 d D U . . .
H1A_4 H 0.253611 0.961335 0.222390 0.380 Uiso 1 1 calc R U . . .
H1B_4 H 0.199235 0.888035 0.228959 0.380 Uiso 1 1 calc R U . . .
F1_4 F 0.3276(7) 0.7299(5) 0.0990(3) 0.260(5) Uani 1 1 d D U . . .
O2_4 O 0.6282(5) 0.7992(5) 0.0135(2) 0.154(3) Uani 1 1 d D U . . .
C2_4 C 0.5968(8) 0.9310(7) 0.0335(3) 0.207(6) Uani 1 1 d D U . . .
O3_4 O 0.2586(6) 0.3466(5) 0.0453(2) 0.161(3) Uani 1 1 d D U . . .
C3_4 C 0.6039(11) 1.0154(8) 0.0308(5) 0.291(8) Uani 1 1 d D U . . .
H3_4 H 0.639051 1.037881 0.015968 0.349 Uiso 1 1 calc R U . . .
O4_4 O 0.1578(5) 0.2411(6) 0.0427(3) 0.167(3) Uani 1 1 d D U . . .
C5_4 C 0.5091(11) 1.0362(8) 0.0738(5) 0.306(9) Uani 1 1 d D U . . .
H5_4 H 0.481970 1.071697 0.087924 0.367 Uiso 1 1 calc R U . . .
C6_4 C 0.5003(9) 0.9509(8) 0.0762(4) 0.249(7) Uani 1 1 d D U . . .
C7_4 C 0.5427(9) 0.8986(7) 0.0551(4) 0.214(6) Uani 1 1 d D U . . .
H7_4 H 0.534444 0.841364 0.055716 0.256 Uiso 1 1 calc R U . . .
C8_4 C 0.4481(10) 0.9164(8) 0.1000(4) 0.239(7) Uani 1 1 d D U . . .
C9_4 C 0.4009(9) 0.8909(8) 0.1187(4) 0.229(7) Uani 1 1 d D U . . .
C10_4 C 0.3419(7) 0.8552(6) 0.1388(3) 0.221(6) Uani 1 1 d D U . . .
C11_4 C 0.3059(7) 0.7743(6) 0.1285(3) 0.216(6) Uani 1 1 d D U . . .
C12_4 C 0.2493(7) 0.7356(6) 0.1475(3) 0.197(5) Uani 1 1 d D U . . .
C13_4 C 0.2275(8) 0.7807(8) 0.1773(4) 0.208(6) Uani 1 1 d D U . . .
H13_4 H 0.189991 0.756246 0.190620 0.250 Uiso 1 1 calc R U . . .
C14_4 C 0.2609(9) 0.8626(8) 0.1881(4) 0.238(7) Uani 1 1 d D U . . .
C15_4 C 0.3180(9) 0.8992(7) 0.1687(4) 0.238(7) Uani 1 1 d D U . . .
H15_4 H 0.340251 0.953858 0.176040 0.286 Uiso 1 1 calc R U . . .
C16_4 C 0.2152(9) 0.6518(7) 0.1348(4) 0.199(6) Uani 1 1 d D U . . .
C17_4 C 0.1825(9) 0.5829(7) 0.1250(4) 0.192(6) Uani 1 1 d D U . . .
C18_4 C 0.1436(8) 0.5014(6) 0.1120(4) 0.205(6) Uani 1 1 d D U . . .
C19_4 C 0.0697(9) 0.4714(9) 0.1227(4) 0.259(8) Uani 1 1 d D U . . .
H19_4 H 0.044484 0.504463 0.138638 0.311 Uiso 1 1 calc R U . . .
C20_4 C 0.0344(9) 0.3919(9) 0.1093(5) 0.278(8) Uani 1 1 d D U . . .
H20_4 H -0.015869 0.372576 0.115829 0.334 Uiso 1 1 calc R U . . .
C21_4 C 0.0719(9) 0.3395(8) 0.0860(4) 0.220(6) Uani 1 1 d D U . . .
H21_4 H 0.048206 0.285463 0.078106 0.264 Uiso 1 1 calc R U . . .
C22_4 C 0.1440(8) 0.3691(7) 0.0752(3) 0.162(4) Uani 1 1 d D U . . .
C23_4 C 0.1781(7) 0.4501(7) 0.0880(3) 0.175(5) Uani 1 1 d D U . . .
H23_4 H 0.226250 0.470511 0.079978 0.210 Uiso 1 1 calc R U . . .
C24_4 C 0.1905(8) 0.3177(8) 0.0522(3) 0.157(5) Uani 1 1 d D U . . .
C4_4 C 0.5589(12) 1.0672(8) 0.0502(5) 0.324(9) Uani 1 1 d D U . . .
H4_4 H 0.562324 1.123854 0.047269 0.389 Uiso 1 1 calc R U . . .
O1_5 O 1.1720(8) 0.3847(9) 0.2291(3) 0.228(5) Uani 1 1 d D U . . .
C2_5 C 1.2096(13) 0.3544(13) 0.2063(6) 0.244(9) Uani 1 1 d D U . . .
C3_5 C 1.1773(14) 0.2702(12) 0.1856(5) 0.290(10) Uani 1 1 d D U . . .
H3A_5 H 1.128619 0.275580 0.164954 0.435 Uiso 1 1 calc R U . . .
H3B_5 H 1.160842 0.234084 0.203466 0.435 Uiso 1 1 calc R U . . .
H3C_5 H 1.221908 0.247186 0.175259 0.435 Uiso 1 1 calc R U . . .
C4_5 C 1.3128(14) 0.4740(13) 0.2141(6) 0.288(11) Uani 1 1 d D U . . .
H4A_5 H 1.374370 0.478210 0.220690 0.433 Uiso 1 1 calc R U . . .
H4B_5 H 1.291896 0.487525 0.236781 0.433 Uiso 1 1 calc R U . . .
H4C_5 H 1.293234 0.511845 0.195069 0.433 Uiso 1 1 calc R U . . .
C5_5 C 1.3305(12) 0.3553(12) 0.1688(5) 0.277(10) Uani 1 1 d D U . . .
H5A_5 H 1.302390 0.304442 0.154987 0.415 Uiso 1 1 calc R U . . .
H5B_5 H 1.387306 0.345868 0.182414 0.415 Uiso 1 1 calc R U . . .
H5C_5 H 1.333673 0.396475 0.150958 0.415 Uiso 1 1 calc R U . . .
N61_5 N 1.2795(13) 0.3859(14) 0.1978(6) 0.253(7) Uani 1 1 d . U . . .
O1_6 O 0.3148(12) 1.0724(10) 0.2471(6) 0.345(9) Uani 1 1 d D U . . .
N1_6 N 0.2364(16) 1.1455(14) 0.2778(5) 0.435(14) Uani 1 1 d D U . . .
C2_6 C 0.3071(16) 1.1384(13) 0.2649(6) 0.405(16) Uani 1 1 d D U . . .
C3_6 C 0.3611(14) 1.2197(11) 0.2738(7) 0.314(12) Uani 1 1 d D U . . .
H3A_6 H 0.334852 1.257694 0.288582 0.471 Uiso 1 1 calc R U . . .
H3B_6 H 0.417229 1.210924 0.288426 0.471 Uiso 1 1 calc R U . . .
H3C_6 H 0.365631 1.242414 0.250095 0.471 Uiso 1 1 calc R U . . .
C4_6 C 0.2216(13) 1.2214(12) 0.2979(6) 0.290(10) Uani 1 1 d D U . . .
H4A_6 H 0.167361 1.214894 0.304896 0.434 Uiso 1 1 calc R U . . .
H4B_6 H 0.266488 1.234129 0.320773 0.434 Uiso 1 1 calc R U . . .
H4C_6 H 0.221222 1.265872 0.281353 0.434 Uiso 1 1 calc R U . . .
C5_6 C 0.169(3) 1.076(2) 0.2693(13) 0.63(3) Uani 1 1 d D U . . .
H5A_6 H 0.122361 1.089971 0.280348 0.944 Uiso 1 1 calc R U . . .
H5B_6 H 0.149469 1.064582 0.241798 0.944 Uiso 1 1 calc R U . . .
H5C_6 H 0.192685 1.027331 0.280151 0.944 Uiso 1 1 calc R U . . .
O1_7 O 0.8793(9) 0.2325(8) 0.7543(4) 0.241(5) Uani 1 1 d D U . . .
N1_7 N 0.8407(9) 0.3255(11) 0.7120(6) 0.275(7) Uani 1 1 d D U . . .
C2_7 C 0.8594(11) 0.2524(12) 0.7207(5) 0.274(10) Uani 1 1 d D U . . .
C3_7 C 0.8597(13) 0.1926(12) 0.6862(5) 0.262(8) Uani 1 1 d D U . . .
H3A_7 H 0.842510 0.219561 0.662888 0.394 Uiso 1 1 calc R U . . .
H3B_7 H 0.916373 0.175092 0.688100 0.394 Uiso 1 1 calc R U . . .
H3C_7 H 0.820374 0.145001 0.685775 0.394 Uiso 1 1 calc R U . . .
C4_7 C 0.8445(14) 0.3967(15) 0.7410(7) 0.347(14) Uani 1 1 d D U . . .
H4A_7 H 0.827921 0.445067 0.728000 0.521 Uiso 1 1 calc R U . . .
H4B_7 H 0.806189 0.383828 0.757338 0.521 Uiso 1 1 calc R U . . .
H4C_7 H 0.901992 0.407243 0.756409 0.521 Uiso 1 1 calc R U . . .
C5_7 C 0.8088(13) 0.3495(11) 0.6721(6) 0.285(10) Uani 1 1 d D U . . .
H5A_7 H 0.799457 0.407449 0.673007 0.428 Uiso 1 1 calc R U . . .
H5B_7 H 0.850529 0.339157 0.657107 0.428 Uiso 1 1 calc R U . . .
H5C_7 H 0.755879 0.317343 0.660281 0.428 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
Rh01 O1_1 1.961(10) . ?
Rh01 O1_2 2.001(7) . ?
Rh01 O4_1_$1 2.017(9) 2_766 ?
Rh01 O4_2_$1 2.045(7) 2_766 ?
Rh01 N1_3 2.223(8) . ?
Rh01 Rh02 2.3941(14) . ?
Cu1 O2_3 1.924(8) . ?
Cu1 O2_4 1.931(8) . ?
Cu1 O3_4_$2 1.941(8) 2_665 ?
Cu1 O3_3_$2 2.022(8) 2_665 ?
Cu1 O00O 2.125(8) . ?
Cu1 Cu04_$2 2.643(2) 2_665 ?
Rh02 O2_1 1.982(10) . ?
Rh02 O2_2 2.031(7) . ?
Rh02 O3_2_$1 2.047(7) 2_766 ?
Rh02 O3_1_$1 2.074(9) 2_766 ?
Rh02 O2 2.301(8) . ?
Cu04 O4_4 1.919(8) . ?
Cu04 O1_4_$2 1.940(8) 2_665 ?
Cu04 O4_3 1.968(8) . ?
Cu04 O1_3_$2 1.971(8) 2_665 ?
Cu04 O00N 2.200(12) . ?
O1_1 C1_1 1.301(11) . ?
C1_1 O2_1 1.245(12) . ?
C1_1 C2_1 1.476(10) . ?
C2_1 C7_1 1.384(7) . ?
C2_1 C3_1 1.387(9) . ?
O3_1 C25_1 1.319(11) . ?
C3_1 C4_1 1.392(9) . ?
O4_1 C25_1 1.231(11) . ?
C4_1 C5_1 1.382(9) . ?
O5_1 C16_1 1.292(15) . ?
C6_1 C7_1 1.380(7) . ?
C6_1 C5_1 1.400(10) . ?
C6_1 C8_1 1.443(7) . ?
C8_1 C9_1 1.197(8) . ?
C9_1 C10_1 1.433(7) . ?
C10_1 C15_1 1.387(7) . ?
C10_1 C11_1 1.392(7) . ?
C11_1 C12_1 1.387(7) . ?
C12_1 C13_1 1.388(7) . ?
C12_1 C17_1 1.438(7) . ?
C13_1 C14_1 1.393(9) . ?
C14_1 C15_1 1.401(8) . ?
C14_1 C16_1 1.472(11) . ?
C17_1 C18_1 1.193(8) . ?
C18_1 C19_1 1.441(7) . ?
C19_1 C24_1 1.395(7) . ?
C19_1 C20_1 1.400(9) . ?
C20_1 C21_1 1.378(9) . ?
C21_1 C22_1 1.387(8) . ?
C22_1 C23_1 1.382(9) . ?
C23_1 C24_1 1.394(7) . ?
C23_1 C25_1 1.466(10) . ?
O1_2 C1_2 1.295(11) . ?
C1_2 O2_2 1.239(10) . ?
C1_2 C2_2 1.503(10) . ?
C2_2 C7_2 1.390(7) . ?
C2_2 C3_2 1.401(8) . ?
O3_2 C25_2 1.287(11) . ?
C3_2 C4_2 1.388(8) . ?
O4_2 C25_2 1.255(11) . ?
C5_2 C6_2 1.390(9) . ?
C5_2 C4_2 1.397(8) . ?
C6_2 C7_2 1.395(7) . ?
C6_2 C8_2 1.432(7) . ?
C8_2 C9_2 1.206(8) . ?
C9_2 C10_2 1.432(7) . ?
C10_2 C11_2 1.388(7) . ?
C10_2 C15_2 1.398(7) . ?
C11_2 C12_2 1.396(7) . ?
C12_2 C13_2 1.387(7) . ?
C12_2 C17_2 1.444(7) . ?
C13_2 C14_2 1.393(8) . ?
C14_2 C15_2 1.389(8) . ?
C14_2 C16_2^a 1.475(12) . ?
C14_2 C16_2^b 1.476(11) . ?
C17_2 C18_2 1.190(7) . ?
C18_2 C19_2 1.438(7) . ?
C19_2 C20_2 1.380(9) . ?
C19_2 C24_2 1.381(7) . ?
C20_2 C21_2 1.372(8) . ?
C21_2 C22_2 1.398(8) . ?
C22_2 C23_2 1.372(8) . ?
C23_2 C24_2 1.383(7) . ?
C23_2 C25_2 1.483(10) . ?
O5_2^a C16_2^a 1.254(18) . ?
O5_2^b C16_2^b 1.260(17) . ?
O1_3 C1_3 1.283(12) . ?
C1_3 O2_3 1.220(12) . ?
C1_3 C2_3 1.498(10) . ?
N1_3 C14_3 1.401(10) . ?
F1_3 C11_3 1.354(6) . ?
C2_3 C3_3 1.379(10) . ?
C2_3 C7_3 1.382(8) . ?
O3_3 C24_3 1.225(11) . ?
C3_3 C4_3 1.385(9) . ?
O4_3 C24_3 1.285(11) . ?
C5_3 C6_3 1.379(8) . ?
C5_3 C4_3 1.387(9) . ?
C6_3 C7_3 1.389(7) . ?
C6_3 C8_3 1.441(7) . ?
C8_3 C9_3 1.188(7) . ?
C9_3 C10_3 1.439(7) . ?
C10_3 C15_3 1.390(8) . ?
C10_3 C11_3 1.392(5) . ?
C11_3 C12_3 1.392(5) . ?
C12_3 C13_3 1.386(8) . ?
C12_3 C16_3 1.434(7) . ?
C13_3 C14_3 1.363(8) . ?
C14_3 C15_3 1.376(8) . ?
C16_3 C17_3 1.194(8) . ?
C17_3 C18_3 1.428(8) . ?
C18_3 C19_3 1.384(8) . ?
C18_3 C23_3 1.399(7) . ?
C19_3 C20_3 1.386(9) . ?
C20_3 C21_3 1.384(9) . ?
C21_3 C22_3 1.410(10) . ?
C22_3 C23_3 1.376(8) . ?
C22_3 C24_3 1.471(10) . ?
O1_4 C1_4 1.276(12) . ?
C1_4 O2_4 1.259(12) . ?
C1_4 C2_4 1.482(10) . ?
N1_4 C14_4 1.395(13) . ?
F1_4 C11_4 1.352(7) . ?
C2_4 C3_4 1.376(10) . ?
C2_4 C7_4 1.386(8) . ?
O3_4 C24_4 1.243(11) . ?
C3_4 C4_4 1.389(9) . ?
O4_4 C24_4 1.307(12) . ?
C5_4 C4_4 1.379(9) . ?
C5_4 C6_4 1.389(8) . ?
C6_4 C7_4 1.401(7) . ?
C6_4 C8_4 1.434(8) . ?
C8_4 C9_4 1.186(8) . ?
C9_4 C10_4 1.425(7) . ?
C10_4 C15_4 1.381(8) . ?
C10_4 C11_4 1.389(5) . ?
C11_4 C12_4 1.390(5) . ?
C12_4 C13_4 1.372(8) . ?
C12_4 C16_4 1.433(7) . ?
C13_4 C14_4 1.392(8) . ?
C14_4 C15_4 1.390(8) . ?
C16_4 C17_4 1.197(8) . ?
C17_4 C18_4 1.423(8) . ?
C18_4 C23_4 1.381(7) . ?
C18_4 C19_4 1.391(8) . ?
C19_4 C20_4 1.380(9) . ?
C20_4 C21_4 1.400(9) . ?
C21_4 C22_4 1.367(10) . ?
C22_4 C23_4 1.392(8) . ?
C22_4 C24_4 1.478(10) . ?
O1_5 C2_5 1.211(13) . ?
C2_5 N61_5 1.31(2) . ?
C2_5 C3_5 1.507(12) . ?
C4_5 N61_5 1.52(2) . ?
C5_5 N61_5 1.53(2) . ?
O1_6 C2_6 1.233(13) . ?
N1_6 C2_6 1.324(19) . ?
N1_6 C4_6 1.440(15) . ?
N1_6 C5_6 1.474(16) . ?
C2_6 C3_6 1.502(12) . ?
O1_7 C2_7 1.239(13) . ?
N1_7 C2_7 1.282(16) . ?
N1_7 C4_7 1.484(14) . ?
N1_7 C5_7 1.487(14) . ?
C2_7 C3_7 1.513(12) . ?

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
O1_1 Rh01 O1_2 89.1(3) . . ?
O1_1 Rh01 O4_1_$1 175.5(3) . 2_766 ?
O1_2 Rh01 O4_1_$1 90.7(3) . 2_766 ?
O1_1 Rh01 O4_2_$1 90.0(3) . 2_766 ?
O1_2 Rh01 O4_2_$1 176.6(3) . 2_766 ?
O4_1 Rh01 O4_2_$1 90.0(3) 2_766 2_766 ?
O1_1 Rh01 N1_3 92.4(3) . . ?
O1_2 Rh01 N1_3 92.3(3) . . ?
O4_1 Rh01 N1_3 92.1(3) 2_766 . ?
O4_2 Rh01 N1_3 91.0(3) 2_766 . ?
O1_1 Rh01 Rh02 87.3(2) . . ?
O1_2 Rh01 Rh02 87.5(2) . . ?
O4_1 Rh01 Rh02 88.2(2) 2_766 . ?
O4_2 Rh01 Rh02 89.2(2) 2_766 . ?
N1_3 Rh01 Rh02 179.6(2) . . ?
O2_3 Cu1 O2_4 89.3(3) . . ?
O2_3 Cu1 O3_4_$2 90.1(3) . 2_665 ?
O2_4 Cu1 O3_4_$2 168.7(4) . 2_665 ?
O2_3 Cu1 O3_3_$2 166.8(4) . 2_665 ?
O2_4 Cu1 O3_3_$2 89.3(3) . 2_665 ?
O3_4 Cu1 O3_3_$2 88.7(3) 2_665 2_665 ?
O2_3 Cu1 O00O 96.3(4) . . ?
O2_4 Cu1 O00O 96.2(3) . . ?
O3_4 Cu1 O00O 95.1(4) 2_665 . ?
O3_3 Cu1 O00O 96.8(4) 2_665 . ?
O2_3 Cu1 Cu04_$2 83.3(3) . 2_665 ?
O2_4 Cu1 Cu04_$2 84.1(3) . 2_665 ?
O3_4 Cu1 Cu04_$2 84.6(3) 2_665 2_665 ?
O3_3 Cu1 Cu04_$2 83.6(3) 2_665 2_665 ?
O00O Cu1 Cu04_$2 179.5(2) . 2_665 ?
O2_1 Rh02 O2_2 88.8(3) . . ?
O2_1 Rh02 O3_2_$1 88.2(3) . 2_766 ?
O2_2 Rh02 O3_2_$1 175.2(3) . 2_766 ?
O2_1 Rh02 O3_1_$1 176.5(3) . 2_766 ?
O2_2 Rh02 O3_1_$1 91.8(3) . 2_766 ?
O3_2 Rh02 O3_1_$1 91.0(3) 2_766 2_766 ?
O2_1 Rh02 O2 92.4(3) . . ?
O2_2 Rh02 O2 90.8(3) . . ?
O3_2 Rh02 O2 93.1(3) 2_766 . ?
O3_1 Rh02 O2 91.1(3) 2_766 . ?
O2_1 Rh02 Rh01 88.6(2) . . ?
O2_2 Rh02 Rh01 88.5(2) . . ?
O3_2 Rh02 Rh01 87.7(2) 2_766 . ?
O3_1 Rh02 Rh01 87.9(2) 2_766 . ?
O2 Rh02 Rh01 178.7(2) . . ?
O4_4 Cu04 O1_4_$2 166.8(4) . 2_665 ?
O4_4 Cu04 O4_3 89.0(4) . . ?
O1_4 Cu04 O4_3 90.3(4) 2_665 . ?
O4_4 Cu04 O1_3_$2 89.2(4) . 2_665 ?
O1_4 Cu04 O1_3_$2 88.6(4) 2_665 2_665 ?
O4_3 Cu04 O1_3_$2 167.0(4) . 2_665 ?
O4_4 Cu04 O00N 100.8(4) . . ?
O1_4 Cu04 O00N 92.4(4) 2_665 . ?
O4_3 Cu04 O00N 92.3(4) . . ?
O1_3 Cu04 O00N 100.7(4) 2_665 . ?
O4_4 Cu04 Cu1_$2 83.1(3) . 2_665 ?
O1_4 Cu04 Cu1_$2 83.7(3) 2_665 2_665 ?
O4_3 Cu04 Cu1_$2 83.8(3) . 2_665 ?
O1_3 Cu04 Cu1_$2 83.2(3) 2_665 2_665 ?
O00N Cu04 Cu1_$2 174.5(3) . 2_665 ?
C1_1 O1_1 Rh01 120.4(8) . . ?
O2_1 C1_1 O1_1 124.5(11) . . ?
O2_1 C1_1 C2_1 119.2(10) . . ?
O1_1 C1_1 C2_1 115.5(11) . . ?
C1_1 O2_1 Rh02 119.1(8) . . ?
C7_1 C2_1 C3_1 118.7(8) . . ?
C7_1 C2_1 C1_1 119.8(9) . . ?
C3_1 C2_1 C1_1 121.4(9) . . ?
C25_1 O3_1 Rh02_$1 117.4(7) . 2_766 ?
C2_1 C3_1 C4_1 121.1(9) . . ?
C25_1 O4_1 Rh01_$1 122.0(8) . 2_766 ?
C5_1 C4_1 C3_1 119.3(10) . . ?
C7_1 C6_1 C5_1 119.5(8) . . ?
C7_1 C6_1 C8_1 120.4(10) . . ?
C5_1 C6_1 C8_1 120.1(10) . . ?
C6_1 C7_1 C2_1 121.0(8) . . ?
C9_1 C8_1 C6_1 169.7(16) . . ?
C8_1 C9_1 C10_1 176.1(15) . . ?
C15_1 C10_1 C11_1 120.8(8) . . ?
C15_1 C10_1 C9_1 119.1(9) . . ?
C11_1 C10_1 C9_1 120.1(9) . . ?
C12_1 C11_1 C10_1 120.3(7) . . ?
C11_1 C12_1 C13_1 119.3(8) . . ?
C11_1 C12_1 C17_1 120.2(9) . . ?
C13_1 C12_1 C17_1 120.5(9) . . ?
C12_1 C13_1 C14_1 120.8(9) . . ?
C13_1 C14_1 C15_1 119.9(9) . . ?
C13_1 C14_1 C16_1 121.2(11) . . ?
C15_1 C14_1 C16_1 118.9(10) . . ?
C10_1 C15_1 C14_1 119.0(9) . . ?
O5_1 C16_1 C14_1 119.1(15) . . ?
C18_1 C17_1 C12_1 174.5(15) . . ?
C17_1 C18_1 C19_1 177.3(15) . . ?
C24_1 C19_1 C20_1 119.1(8) . . ?
C24_1 C19_1 C18_1 120.6(10) . . ?
C20_1 C19_1 C18_1 120.3(10) . . ?
C21_1 C20_1 C19_1 119.9(9) . . ?
C20_1 C21_1 C22_1 120.9(9) . . ?
C23_1 C22_1 C21_1 119.9(9) . . ?
C22_1 C23_1 C24_1 119.8(8) . . ?
C22_1 C23_1 C25_1 119.7(10) . . ?
C24_1 C23_1 C25_1 120.5(9) . . ?
C23_1 C24_1 C19_1 120.4(8) . . ?
O4_1 C25_1 O3_1 124.4(11) . . ?
O4_1 C25_1 C23_1 121.1(10) . . ?
O3_1 C25_1 C23_1 114.5(10) . . ?
C4_1 C5_1 C6_1 120.0(10) . . ?
C1_2 O1_2 Rh01 119.6(6) . . ?
O2_2 C1_2 O1_2 125.9(9) . . ?
O2_2 C1_2 C2_2 119.3(9) . . ?
O1_2 C1_2 C2_2 114.7(9) . . ?
C1_2 O2_2 Rh02 118.4(6) . . ?
C7_2 C2_2 C3_2 119.7(7) . . ?
C7_2 C2_2 C1_2 119.3(9) . . ?
C3_2 C2_2 C1_2 121.0(8) . . ?
C25_2 O3_2 Rh02_$1 118.1(6) . 2_766 ?
C4_2 C3_2 C2_2 121.1(8) . . ?
C25_2 O4_2 Rh01_$1 117.3(6) . 2_766 ?
C6_2 C5_2 C4_2 119.8(8) . . ?
C5_2 C6_2 C7_2 121.2(7) . . ?
C5_2 C6_2 C8_2 120.0(9) . . ?
C7_2 C6_2 C8_2 118.8(9) . . ?
C2_2 C7_2 C6_2 119.1(7) . . ?
C9_2 C8_2 C6_2 179.8(19) . . ?
C8_2 C9_2 C10_2 177.1(14) . . ?
C11_2 C10_2 C15_2 118.5(7) . . ?
C11_2 C10_2 C9_2 120.5(8) . . ?
C15_2 C10_2 C9_2 121.0(9) . . ?
C10_2 C11_2 C12_2 121.2(7) . . ?
C13_2 C12_2 C11_2 120.1(7) . . ?
C13_2 C12_2 C17_2 120.8(9) . . ?
C11_2 C12_2 C17_2 119.1(8) . . ?
C12_2 C13_2 C14_2 119.0(8) . . ?
C15_2 C14_2 C13_2 120.8(8) . . ?
C15_2 C14_2 C16_2^a 115.7(11) . . ?
C13_2 C14_2 C16_2^a 123.5(12) . . ?
C15_2 C14_2 C16_2^b 123.7(11) . . ?
C13_2 C14_2 C16_2^b 115.4(11) . . ?
C14_2 C15_2 C10_2 120.4(8) . . ?
C18_2 C17_2 C12_2 176.1(13) . . ?
C17_2 C18_2 C19_2 174.8(13) . . ?
C20_2 C19_2 C24_2 117.4(7) . . ?
C20_2 C19_2 C18_2 120.3(9) . . ?
C24_2 C19_2 C18_2 122.3(9) . . ?
C21_2 C20_2 C19_2 121.7(8) . . ?
C20_2 C21_2 C22_2 120.2(9) . . ?
C23_2 C22_2 C21_2 118.7(8) . . ?
C22_2 C23_2 C24_2 120.0(7) . . ?
C22_2 C23_2 C25_2 118.3(9) . . ?
C24_2 C23_2 C25_2 121.6(9) . . ?
C19_2 C24_2 C23_2 122.0(7) . . ?
O4_2 C25_2 O3_2 127.6(9) . . ?
O4_2 C25_2 C23_2 116.5(9) . . ?
O3_2 C25_2 C23_2 115.8(9) . . ?
C3_2 C4_2 C5_2 119.1(8) . . ?
O5_2^a C16_2^a C14_2 120.1(18) . . ?
O5_2^b C16_2^b C14_2 123.3(18) . . ?
C1_3 O1_3 Cu04_$2 121.6(8) . 2_665 ?
O2_3 C1_3 O1_3 124.1(11) . . ?
O2_3 C1_3 C2_3 122.4(11) . . ?
O1_3 C1_3 C2_3 113.5(11) . . ?
C14_3 N1_3 Rh01 113.3(6) . . ?
C1_3 O2_3 Cu1 125.6(8) . . ?
C3_3 C2_3 C7_3 119.5(8) . . ?
C3_3 C2_3 C1_3 122.8(10) . . ?
C7_3 C2_3 C1_3 117.7(10) . . ?
C24_3 O3_3 Cu1_$2 121.6(8) . 2_665 ?
C2_3 C3_3 C4_3 120.0(9) . . ?
C24_3 O4_3 Cu04 122.8(8) . . ?
C6_3 C5_3 C4_3 119.7(9) . . ?
C5_3 C6_3 C7_3 119.7(8) . . ?
C5_3 C6_3 C8_3 121.4(9) . . ?
C7_3 C6_3 C8_3 118.9(9) . . ?
C2_3 C7_3 C6_3 120.7(8) . . ?
C9_3 C8_3 C6_3 175.0(12) . . ?
C8_3 C9_3 C10_3 177.3(13) . . ?
C15_3 C10_3 C11_3 119.1(7) . . ?
C15_3 C10_3 C9_3 122.3(8) . . ?
C11_3 C10_3 C9_3 118.6(7) . . ?
F1_3 C11_3 C12_3 119.4(7) . . ?
F1_3 C11_3 C10_3 119.7(7) . . ?
C12_3 C11_3 C10_3 120.9(6) . . ?
C13_3 C12_3 C11_3 118.1(7) . . ?
C13_3 C12_3 C16_3 121.2(8) . . ?
C11_3 C12_3 C16_3 120.7(8) . . ?
C14_3 C13_3 C12_3 121.6(8) . . ?
C13_3 C14_3 C15_3 120.3(8) . . ?
C13_3 C14_3 N1_3 119.7(9) . . ?
C15_3 C14_3 N1_3 119.5(9) . . ?
C14_3 C15_3 C10_3 120.0(8) . . ?
C17_3 C16_3 C12_3 177.7(15) . . ?
C16_3 C17_3 C18_3 174.6(14) . . ?
C19_3 C18_3 C23_3 119.3(8) . . ?
C19_3 C18_3 C17_3 120.3(9) . . ?
C23_3 C18_3 C17_3 120.4(9) . . ?
C18_3 C19_3 C20_3 120.7(9) . . ?
C21_3 C20_3 C19_3 120.7(9) . . ?
C20_3 C21_3 C22_3 118.4(9) . . ?
C23_3 C22_3 C21_3 120.9(8) . . ?
C23_3 C22_3 C24_3 120.1(10) . . ?
C21_3 C22_3 C24_3 118.9(10) . . ?
C22_3 C23_3 C18_3 119.9(8) . . ?
O3_3 C24_3 O4_3 126.0(11) . . ?
O3_3 C24_3 C22_3 116.3(11) . . ?
O4_3 C24_3 C22_3 117.8(11) . . ?
C3_3 C4_3 C5_3 120.4(9) . . ?
C1_4 O1_4 Cu04_$2 122.0(7) . 2_665 ?
O2_4 C1_4 O1_4 125.8(10) . . ?
O2_4 C1_4 C2_4 115.9(10) . . ?
O1_4 C1_4 C2_4 118.3(11) . . ?
C1_4 O2_4 Cu1 122.5(7) . . ?
C3_4 C2_4 C7_4 118.8(8) . . ?
C3_4 C2_4 C1_4 120.4(10) . . ?
C7_4 C2_4 C1_4 120.8(10) . . ?
C24_4 O3_4 Cu1_$2 122.1(8) . 2_665 ?
C2_4 C3_4 C4_4 120.5(10) . . ?
C24_4 O4_4 Cu04 123.2(7) . . ?
C4_4 C5_4 C6_4 118.9(9) . . ?
C5_4 C6_4 C7_4 119.6(8) . . ?
C5_4 C6_4 C8_4 120.4(9) . . ?
C7_4 C6_4 C8_4 120.0(10) . . ?
C2_4 C7_4 C6_4 120.9(8) . . ?
C9_4 C8_4 C6_4 175.9(16) . . ?
C8_4 C9_4 C10_4 175.7(16) . . ?
C15_4 C10_4 C11_4 117.6(7) . . ?
C15_4 C10_4 C9_4 122.0(9) . . ?
C11_4 C10_4 C9_4 120.4(8) . . ?
F1_4 C11_4 C10_4 119.0(7) . . ?
F1_4 C11_4 C12_4 118.0(7) . . ?
C10_4 C11_4 C12_4 123.1(6) . . ?
C13_4 C12_4 C11_4 117.9(7) . . ?
C13_4 C12_4 C16_4 122.9(9) . . ?
C11_4 C12_4 C16_4 119.2(8) . . ?
C12_4 C13_4 C14_4 120.9(8) . . ?
C15_4 C14_4 C13_4 119.9(9) . . ?
C15_4 C14_4 N1_4 119.2(11) . . ?
C13_4 C14_4 N1_4 120.8(11) . . ?
C10_4 C15_4 C14_4 120.7(9) . . ?
C17_4 C16_4 C12_4 176.0(16) . . ?
C16_4 C17_4 C18_4 178.0(16) . . ?
C23_4 C18_4 C19_4 118.2(8) . . ?
C23_4 C18_4 C17_4 120.4(10) . . ?
C19_4 C18_4 C17_4 121.4(10) . . ?
C20_4 C19_4 C18_4 119.2(9) . . ?
C19_4 C20_4 C21_4 122.0(10) . . ?
C22_4 C21_4 C20_4 118.9(9) . . ?
C21_4 C22_4 C23_4 118.9(8) . . ?
C21_4 C22_4 C24_4 123.0(10) . . ?
C23_4 C22_4 C24_4 118.0(10) . . ?
C18_4 C23_4 C22_4 122.8(8) . . ?
O3_4 C24_4 O4_4 124.6(10) . . ?
O3_4 C24_4 C22_4 120.0(11) . . ?
O4_4 C24_4 C22_4 115.2(11) . . ?
C5_4 C4_4 C3_4 121.1(10) . . ?
O1_5 C2_5 N61_5 126.9(19) . . ?
O1_5 C2_5 C3_5 119.4(18) . . ?
N61_5 C2_5 C3_5 113.6(18) . . ?
C2_5 N61_5 C4_5 117.9(19) . . ?
C2_5 N61_5 C5_5 132(2) . . ?
C4_5 N61_5 C5_5 109.8(18) . . ?
C2_6 N1_6 C4_6 121.4(19) . . ?
C2_6 N1_6 C5_6 119(2) . . ?
C4_6 N1_6 C5_6 119(2) . . ?
O1_6 C2_6 N1_6 118.2(18) . . ?
O1_6 C2_6 C3_6 133(2) . . ?
N1_6 C2_6 C3_6 109.0(16) . . ?
C2_7 N1_7 C4_7 123.8(18) . . ?
C2_7 N1_7 C5_7 125.1(16) . . ?
C4_7 N1_7 C5_7 111.1(15) . . ?
O1_7 C2_7 N1_7 123.8(16) . . ?
O1_7 C2_7 C3_7 122.1(16) . . ?
N1_7 C2_7 C3_7 114.0(15) . . ?

_refine_diff_density_max         0.481
_refine_diff_density_min         -0.531
_refine_diff_density_rms         0.079




_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Diisopropyl ether, DMA'
####################################################################### 
# 
# 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_4
_database_code_depnum_ccdc_archive 'CCDC 2106778'
loop_
_audit_author_name
_audit_author_address
'Witold Bloch'
;University of Adelaide 
Australia
;
_audit_update_record             
;
2021-09-01 deposited with the CCDC.	2021-11-30 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_THETM01_4                   
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.550
RESPONSE: Despite several attempts to measure multiple crystals of the same sample, there was a clear resolution cut-off beyond 1.02 Anstroms. Despite using a highly brilliant synchrotron source and collecting diffraction data with different exposures, diffration data beyond 1.0 Angstroms could not be collected.
;
# Added during the CSD deposition process: Wednesday 01 September 2021 07:24 AM
# end Validation Reply Form


_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C74 H36 Cu F N O16 Rh2'
_chemical_formula_weight         1483.40

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'
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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      tetragonal
_space_group_IT_number           87
_space_group_name_H-M_alt        'I 4/m'
_space_group_name_Hall           '-I 4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   32.444(5)
_cell_length_b                   32.444(5)
_cell_length_c                   25.626(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     26974(9)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    6796
_cell_measurement_theta_min      1.02
_cell_measurement_theta_max      22.96

_exptl_crystal_description       plate
_exptl_crystal_colour            blue
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    0.731
_exptl_crystal_F_000             5944
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.03
_exptl_absorpt_coefficient_mu    0.434
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           Synchrotron
_diffrn_source                   'MX2 Beamline Australian Synchrotron'
_diffrn_measurement_device_type  'ADSC Quantum 315r'
_diffrn_measurement_method       'Phi Scan'
_diffrn_radiation_monochromator  'Silicon Double Crystal'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            108604
_diffrn_reflns_av_unetI/netI     0.0198
_diffrn_reflns_av_R_equivalents  0.0567
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         0.888
_diffrn_reflns_theta_max         20.333
_diffrn_reflns_theta_full        20.333
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             6779
_reflns_number_gt                3882
_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.
 
 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       'BluIce (McPhillips, 2002)'
_computing_cell_refinement       'XDS (Kabsch, 1993)'
_computing_data_reduction        'XDS (Kabsch, 1993)'
_computing_structure_solution    'SHELXT-2018/3 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'shelXle (Huebschle, 2014)'
_computing_publication_material  'CIFTAB (Sheldrick, 1997)'
_refine_special_details          SQUEEZE
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6779
_refine_ls_number_parameters     442
_refine_ls_number_restraints     306
_refine_ls_R_factor_all          0.1455
_refine_ls_R_factor_gt           0.1164
_refine_ls_wR_factor_ref         0.3710
_refine_ls_wR_factor_gt          0.3298
_refine_ls_goodness_of_fit_ref   1.375
_refine_ls_restrained_S_all      1.355
_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
Rh1 Rh 0.84075(3) 0.35285(3) 0.500000 0.2162(9) Uani 1 2 d S T P . .
O1 O 0.9472(3) 0.4532(3) 0.500000 0.322(8) Uani 1 2 d S T P . .
Cu1 Cu 0.500000 0.500000 0.31529(11) 0.1976(10) Uani 1 4 d S TU P . .
Rh2 Rh 0.89462(3) 0.40357(3) 0.500000 0.2256(9) Uani 1 2 d S T P . .
O2 O 0.500000 0.500000 0.3989(6) 0.274(7) Uani 1 4 d S T P . .
Cu2 Cu 0.500000 0.500000 0.21202(12) 0.2293(13) Uani 1 4 d S TU P . .
O3 O 0.500000 0.500000 0.1242(10) 0.302(9) Uani 1 4 d S T P . .
O1_1 O 0.81272(18) 0.3877(2) 0.5564(3) 0.228(3) Uani 1 1 d . U . . .
C1_1 C 0.8279(3) 0.4213(3) 0.5720(6) 0.207(4) Uani 1 1 d . U . . .
O2_1 O 0.8615(2) 0.43468(18) 0.5589(3) 0.228(3) Uani 1 1 d . U . . .
C2_1 C 0.8044(3) 0.4442(3) 0.6112(6) 0.222(4) Uani 1 1 d . U . . .
O3_1 O 1.07688(19) 0.6303(2) 0.5549(3) 0.225(3) Uani 1 1 d . U . . .
C3_1 C 0.7653(3) 0.4320(3) 0.6261(6) 0.223(4) Uani 1 1 d . U . . .
H3_1 H 0.753767 0.408169 0.612246 0.268 Uiso 1 1 calc R U . . .
O4_1 O 1.1277(2) 0.67790(18) 0.5561(3) 0.216(3) Uani 1 1 d . U . . .
C4_1 C 0.7437(3) 0.4550(4) 0.6611(6) 0.238(5) Uani 1 1 d . U . . .
H4_1 H 0.717244 0.447162 0.670922 0.285 Uiso 1 1 calc R U . . .
O5_1 O 0.8339(2) 0.7269(3) 0.8314(5) 0.263(4) Uani 1 1 d . U . . .
C6_1 C 0.7998(3) 0.5036(4) 0.6693(7) 0.234(5) Uani 1 1 d . U . . .
C7_1 C 0.8213(3) 0.4808(4) 0.6332(6) 0.235(5) Uani 1 1 d . U . . .
H7_1 H 0.847426 0.489419 0.622939 0.282 Uiso 1 1 calc R U . . .
C8_1 C 0.8170(3) 0.5398(4) 0.6905(6) 0.231(5) Uani 1 1 d . U . . .
C9_1 C 0.8306(3) 0.5701(4) 0.7058(6) 0.230(4) Uani 1 1 d . U . . .
C10_1 C 0.8501(4) 0.6082(4) 0.7296(7) 0.236(5) Uani 1 1 d . U . . .
C11_1 C 0.8872(4) 0.6209(4) 0.7096(6) 0.233(5) Uani 1 1 d . U . . .
H11_1 H 0.900566 0.605394 0.684170 0.280 Uiso 1 1 calc R U . . .
C12_1 C 0.9050(4) 0.6580(5) 0.7281(7) 0.238(5) Uani 1 1 d . U . . .
C13_1 C 0.8829(4) 0.6816(4) 0.7641(7) 0.243(5) Uani 1 1 d . U . . .
H13_1 H 0.892612 0.707315 0.774390 0.292 Uiso 1 1 calc R U . . .
C14_1 C 0.8473(4) 0.6665(4) 0.7838(6) 0.221(4) Uani 1 1 d . U . . .
C15_1 C 0.8301(3) 0.6307(4) 0.7682(6) 0.221(4) Uani 1 1 d . U . . .
H15_1 H 0.805539 0.621445 0.782767 0.265 Uiso 1 1 calc R U . . .
C16_1 C 0.8254(4) 0.6932(5) 0.8223(6) 0.236(5) Uani 1 1 d . U . . .
H16_1 H 0.803305 0.681800 0.840325 0.283 Uiso 1 1 calc R U . . .
C17_1 C 0.9422(4) 0.6732(4) 0.7053(6) 0.243(5) Uani 1 1 d . U . . .
C18_1 C 0.9740(4) 0.6857(4) 0.6874(6) 0.241(5) Uani 1 1 d . U . . .
C19_1 C 1.0127(4) 0.6984(4) 0.6658(7) 0.249(5) Uani 1 1 d . U . . .
C20_1 C 1.0293(4) 0.7370(4) 0.6798(7) 0.262(5) Uani 1 1 d . U . . .
H20_1 H 1.015560 0.753170 0.704208 0.315 Uiso 1 1 calc R U . . .
C21_1 C 1.0651(4) 0.7513(4) 0.6583(7) 0.261(6) Uani 1 1 d . U . . .
H21_1 H 1.075120 0.777151 0.667282 0.313 Uiso 1 1 calc R U . . .
C22_1 C 1.0862(4) 0.7271(4) 0.6233(7) 0.241(5) Uani 1 1 d . U . . .
H22_1 H 1.111216 0.736030 0.609659 0.289 Uiso 1 1 calc R U . . .
C23_1 C 1.0700(4) 0.6891(4) 0.6082(6) 0.232(4) Uani 1 1 d . U . . .
C24_1 C 1.0345(4) 0.6757(4) 0.6286(6) 0.233(5) Uani 1 1 d . U . . .
H24_1 H 1.024039 0.650471 0.617684 0.280 Uiso 1 1 calc R U . . .
C25_1 C 1.0922(4) 0.6636(4) 0.5684(6) 0.224(4) Uani 1 1 d . U . . .
C5_1 C 0.7613(3) 0.4902(4) 0.6820(6) 0.226(4) Uani 1 1 d . U . . .
H5_1 H 0.746084 0.505503 0.705893 0.271 Uiso 1 1 calc R U . . .
O1_2 O 0.5506(3) 0.4681(3) 0.2191(4) 0.238(3) Uani 1 1 d . U . . .
N1_2 N 0.7934(3) 0.3030(3) 0.500000 0.213(5) Uani 1 2 d S TU P . .
H1A_2 H 0.796502 0.287253 0.471851 0.255 Uiso 0.5 1 calc R U P . .
H1B_2 H 0.796502 0.287253 0.528149 0.255 Uiso 0.5 1 calc R U P . .
F1_2 F 0.6411(2) 0.3773(2) 0.500000 0.255(4) Uani 1 2 d S TU P . .
C1_2 C 0.5614(4) 0.4562(4) 0.2635(8) 0.203(4) Uani 1 1 d . U . . .
O2_2 O 0.5457(2) 0.4619(2) 0.3087(3) 0.201(3) Uani 1 1 d . U . . .
C3_2 C 0.6213(6) 0.4211(5) 0.2218(8) 0.293(7) Uani 1 1 d . U . . .
H3_2 H 0.611928 0.431744 0.190240 0.352 Uiso 1 1 calc R U . . .
C4_2 C 0.6572(8) 0.3965(7) 0.2227(10) 0.317(9) Uani 1 1 d . U . . .
H4_2 H 0.670464 0.389141 0.191872 0.381 Uiso 1 1 calc R U . . .
C5_2 C 0.6718(7) 0.3839(5) 0.2692(11) 0.286(7) Uani 1 1 d . U . . .
H5_2 H 0.697824 0.371875 0.270850 0.343 Uiso 1 1 calc R U . . .
C6_2 C 0.6490(6) 0.3883(4) 0.3150(10) 0.237(5) Uani 1 1 d . U . . .
C7_2 C 0.6136(4) 0.4132(4) 0.3136(6) 0.204(4) Uani 1 1 d . U . . .
H7_2 H 0.598932 0.418948 0.343878 0.245 Uiso 1 1 calc R U . . .
C8_2 C 0.6653(5) 0.3727(5) 0.3631(10) 0.219(6) Uani 1 1 d . U . . .
C9_2 C 0.6773(5) 0.3616(5) 0.4061(11) 0.236(7) Uani 1 1 d . U . . .
C10_2 C 0.6957(4) 0.3492(4) 0.4547(8) 0.210(4) Uani 1 1 d . U . . .
C11_2 C 0.6766(6) 0.3561(5) 0.500000 0.221(8) Uani 1 2 d S TU P . .
C14_2 C 0.7521(5) 0.3218(5) 0.500000 0.219(7) Uani 1 2 d S TU P . .
C15_2 C 0.7343(3) 0.3301(3) 0.4524(6) 0.208(4) Uani 1 1 d . U . . .
H15_2 H 0.747007 0.323415 0.420927 0.250 Uiso 1 1 calc R U . . .
C2_2 C 0.6010(5) 0.4292(4) 0.2654(8) 0.225(5) Uani 1 1 d . U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh1 O4_1_$3 2.027(7) 2_765 ?
Rh1 O4_1_$1 2.027(7) 9_766 ?
Rh1 O1_1_$2 2.048(8) 10_556 ?
Rh1 O1_1 2.048(8) . ?
Rh1 N1_2 2.229(9) . ?
Rh1 Rh2 2.4006(14) . ?
O1 Rh2 2.345(10) . ?
Cu1 O2_2_$6 1.939(8) 4_565 ?
Cu1 O2_2_$5 1.939(8) 3_655 ?
Cu1 O2_2_$4 1.939(8) 2_665 ?
Cu1 O2_2 1.939(8) . ?
Cu1 O2 2.143(16) . ?
Cu1 Cu2 2.646(4) . ?
Rh2 O3_1_$3 2.010(8) 2_765 ?
Rh2 O3_1_$1 2.010(8) 9_766 ?
Rh2 O2_1 2.110(8) . ?
Rh2 O2_1_$2 2.110(8) 10_556 ?
Cu2 O1_2 1.948(10) . ?
Cu2 O1_2_$5 1.948(10) 3_655 ?
Cu2 O1_2_$6 1.948(10) 4_565 ?
Cu2 O1_2_$4 1.948(10) 2_665 ?
Cu2 O3 2.25(3) . ?
O1_1 C1_1 1.259(10) . ?
C1_1 O2_1 1.222(11) . ?
C1_1 C2_1 1.466(16) . ?
C2_1 C3_1 1.382(13) . ?
C2_1 C7_1 1.423(14) . ?
O3_1 C25_1 1.240(13) . ?
C3_1 C4_1 1.361(15) . ?
O4_1 C25_1 1.280(12) . ?
C4_1 C5_1 1.385(14) . ?
O5_1 C16_1 1.149(12) . ?
C6_1 C5_1 1.362(14) . ?
C6_1 C7_1 1.375(15) . ?
C6_1 C8_1 1.409(16) . ?
C8_1 C9_1 1.146(15) . ?
C9_1 C10_1 1.517(18) . ?
C10_1 C11_1 1.373(15) . ?
C10_1 C15_1 1.391(16) . ?
C11_1 C12_1 1.416(17) . ?
C12_1 C13_1 1.396(17) . ?
C12_1 C17_1 1.427(18) . ?
C13_1 C14_1 1.353(15) . ?
C14_1 C15_1 1.349(13) . ?
C14_1 C16_1 1.494(17) . ?
C17_1 C18_1 1.201(18) . ?
C18_1 C19_1 1.432(18) . ?
C19_1 C24_1 1.398(17) . ?
C19_1 C20_1 1.410(16) . ?
C20_1 C21_1 1.366(16) . ?
C21_1 C22_1 1.375(16) . ?
C22_1 C23_1 1.394(15) . ?
C23_1 C24_1 1.337(14) . ?
C23_1 C25_1 1.497(17) . ?
O1_2 C1_2 1.254(15) . ?
N1_2 C14_2 1.47(2) . ?
F1_2 C11_2 1.339(19) . ?
C1_2 O2_2 1.278(16) . ?
C1_2 C2_2 1.55(2) . ?
C3_2 C2_2 1.325(19) . ?
C3_2 C4_2 1.41(2) . ?
C4_2 C5_2 1.35(2) . ?
C5_2 C6_2 1.40(2) . ?
C6_2 C7_2 1.40(2) . ?
C6_2 C8_2 1.43(2) . ?
C7_2 C2_2 1.401(16) . ?
C8_2 C9_2 1.22(2) . ?
C9_2 C10_2 1.44(2) . ?
C10_2 C11_2 1.335(16) . ?
C10_2 C15_2 1.399(17) . ?
C14_2 C15_2 1.377(11) . ?
C14_2 C15_2_$2 1.377(11) 10_556 ?

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
O4_1 Rh1 O4_1_$1 90.3(4) 2_765 9_766 ?
O4_1 Rh1 O1_1_$2 175.1(3) 2_765 10_556 ?
O4_1 Rh1 O1_1_$2 89.8(3) 9_766 10_556 ?
O4_1 Rh1 O1_1 89.8(3) 2_765 . ?
O4_1 Rh1 O1_1 175.1(3) 9_766 . ?
O1_1 Rh1 O1_1 89.7(4) 10_556 . ?
O4_1 Rh1 N1_2 89.5(3) 2_765 . ?
O4_1 Rh1 N1_2 89.5(3) 9_766 . ?
O1_1 Rh1 N1_2 95.5(3) 10_556 . ?
O1_1 Rh1 N1_2 95.4(3) . . ?
O4_1 Rh1 Rh2 88.26(19) 2_765 . ?
O4_1 Rh1 Rh2 88.26(19) 9_766 . ?
O1_1 Rh1 Rh2 86.8(2) 10_556 . ?
O1_1 Rh1 Rh2 86.8(2) . . ?
N1_2 Rh1 Rh2 176.8(3) . . ?
O2_2 Cu1 O2_2_$5 170.0(5) 4_565 3_655 ?
O2_2 Cu1 O2_2_$4 89.56(5) 4_565 2_665 ?
O2_2 Cu1 O2_2_$4 89.56(5) 3_655 2_665 ?
O2_2 Cu1 O2_2 89.56(5) 4_565 . ?
O2_2 Cu1 O2_2 89.57(5) 3_655 . ?
O2_2 Cu1 O2_2 170.0(5) 2_665 . ?
O2_2 Cu1 O2 95.0(3) 4_565 . ?
O2_2 Cu1 O2 95.0(3) 3_655 . ?
O2_2 Cu1 O2 95.0(3) 2_665 . ?
O2_2 Cu1 O2 95.0(3) . . ?
O2_2 Cu1 Cu2 85.0(3) 4_565 . ?
O2_2 Cu1 Cu2 85.0(3) 3_655 . ?
O2_2 Cu1 Cu2 85.0(3) 2_665 . ?
O2_2 Cu1 Cu2 85.0(3) . . ?
O2 Cu1 Cu2 180.0 . . ?
O3_1 Rh2 O3_1_$1 88.9(4) 2_765 9_766 ?
O3_1 Rh2 O2_1 89.7(3) 2_765 . ?
O3_1 Rh2 O2_1 175.1(3) 9_766 . ?
O3_1 Rh2 O2_1_$2 175.1(3) 2_765 10_556 ?
O3_1 Rh2 O2_1_$2 89.7(3) 9_766 10_556 ?
O2_1 Rh2 O2_1_$2 91.3(4) . 10_556 ?
O3_1 Rh2 O1 92.3(3) 2_765 . ?
O3_1 Rh2 O1 92.3(3) 9_766 . ?
O2_1 Rh2 O1 92.4(3) . . ?
O2_1 Rh2 O1 92.4(3) 10_556 . ?
O3_1 Rh2 Rh1 87.7(2) 2_765 . ?
O3_1 Rh2 Rh1 87.7(2) 9_766 . ?
O2_1 Rh2 Rh1 87.5(2) . . ?
O2_1 Rh2 Rh1 87.5(2) 10_556 . ?
O1 Rh2 Rh1 179.9(3) . . ?
O1_2 Cu2 O1_2_$5 89.50(6) . 3_655 ?
O1_2 Cu2 O1_2_$6 89.51(6) . 4_565 ?
O1_2 Cu2 O1_2_$6 169.3(6) 3_655 4_565 ?
O1_2 Cu2 O1_2_$4 169.3(6) . 2_665 ?
O1_2 Cu2 O1_2_$4 89.51(6) 3_655 2_665 ?
O1_2 Cu2 O1_2_$4 89.51(6) 4_565 2_665 ?
O1_2 Cu2 O3 95.3(3) . . ?
O1_2 Cu2 O3 95.3(3) 3_655 . ?
O1_2 Cu2 O3 95.3(3) 4_565 . ?
O1_2 Cu2 O3 95.3(3) 2_665 . ?
O1_2 Cu2 Cu1 84.7(3) . . ?
O1_2 Cu2 Cu1 84.7(3) 3_655 . ?
O1_2 Cu2 Cu1 84.7(3) 4_565 . ?
O1_2 Cu2 Cu1 84.7(3) 2_665 . ?
O3 Cu2 Cu1 180.0 . . ?
C1_1 O1_1 Rh1 121.9(8) . . ?
O2_1 C1_1 O1_1 124.7(13) . . ?
O2_1 C1_1 C2_1 118.1(10) . . ?
O1_1 C1_1 C2_1 117.0(10) . . ?
C1_1 O2_1 Rh2 118.7(8) . . ?
C3_1 C2_1 C7_1 118.9(12) . . ?
C3_1 C2_1 C1_1 121.4(11) . . ?
C7_1 C2_1 C1_1 119.6(11) . . ?
C25_1 O3_1 Rh2_$1 119.1(8) . 9_766 ?
C4_1 C3_1 C2_1 119.8(11) . . ?
C25_1 O4_1 Rh1_$1 116.8(8) . 9_766 ?
C3_1 C4_1 C5_1 119.6(11) . . ?
C5_1 C6_1 C7_1 117.0(12) . . ?
C5_1 C6_1 C8_1 122.4(13) . . ?
C7_1 C6_1 C8_1 120.5(11) . . ?
C6_1 C7_1 C2_1 121.2(11) . . ?
C9_1 C8_1 C6_1 177.3(16) . . ?
C8_1 C9_1 C10_1 175.5(15) . . ?
C11_1 C10_1 C15_1 121.1(12) . . ?
C11_1 C10_1 C9_1 117.5(14) . . ?
C15_1 C10_1 C9_1 121.3(12) . . ?
C10_1 C11_1 C12_1 119.2(13) . . ?
C13_1 C12_1 C11_1 118.6(11) . . ?
C13_1 C12_1 C17_1 121.0(13) . . ?
C11_1 C12_1 C17_1 120.0(15) . . ?
C14_1 C13_1 C12_1 119.1(12) . . ?
C15_1 C14_1 C13_1 123.6(13) . . ?
C15_1 C14_1 C16_1 119.9(12) . . ?
C13_1 C14_1 C16_1 116.3(12) . . ?
C14_1 C15_1 C10_1 118.0(11) . . ?
O5_1 C16_1 C14_1 124.8(13) . . ?
C18_1 C17_1 C12_1 178.2(18) . . ?
C17_1 C18_1 C19_1 177.0(14) . . ?
C24_1 C19_1 C20_1 116.6(12) . . ?
C24_1 C19_1 C18_1 123.8(12) . . ?
C20_1 C19_1 C18_1 119.5(16) . . ?
C21_1 C20_1 C19_1 121.5(14) . . ?
C20_1 C21_1 C22_1 119.6(12) . . ?
C21_1 C22_1 C23_1 119.9(12) . . ?
C24_1 C23_1 C22_1 120.1(13) . . ?
C24_1 C23_1 C25_1 120.1(13) . . ?
C22_1 C23_1 C25_1 119.7(13) . . ?
C23_1 C24_1 C19_1 122.2(12) . . ?
O3_1 C25_1 O4_1 127.5(13) . . ?
O3_1 C25_1 C23_1 118.6(11) . . ?
O4_1 C25_1 C23_1 113.6(12) . . ?
C6_1 C5_1 C4_1 123.3(13) . . ?
C1_2 O1_2 Cu2 119.0(10) . . ?
C14_2 N1_2 Rh1 109.1(7) . . ?
O1_2 C1_2 O2_2 131.8(15) . . ?
O1_2 C1_2 C2_2 115.7(16) . . ?
O2_2 C1_2 C2_2 112.6(15) . . ?
C1_2 O2_2 Cu1 118.5(9) . . ?
C2_2 C3_2 C4_2 121(2) . . ?
C5_2 C4_2 C3_2 118(3) . . ?
C4_2 C5_2 C6_2 122(3) . . ?
C5_2 C6_2 C7_2 118(2) . . ?
C5_2 C6_2 C8_2 119(2) . . ?
C7_2 C6_2 C8_2 121.9(18) . . ?
C6_2 C7_2 C2_2 118.4(16) . . ?
C9_2 C8_2 C6_2 175.0(19) . . ?
C8_2 C9_2 C10_2 174.2(16) . . ?
C11_2 C10_2 C15_2 121.9(19) . . ?
C11_2 C10_2 C9_2 120.9(13) . . ?
C15_2 C10_2 C9_2 117.2(15) . . ?
C10_2 C11_2 C10_2 121(2) 10_556 . ?
C10_2 C11_2 F1_2 119.0(11) 10_556 . ?
C10_2 C11_2 F1_2 119.0(11) . . ?
C15_2 C14_2 C15_2_$2 125.0(19) . 10_556 ?
C15_2 C14_2 N1_2 117.5(9) . . ?
C15_2 C14_2 N1_2 117.5(9) 10_556 . ?
C14_2 C15_2 C10_2 115.0(16) . . ?
C3_2 C2_2 C7_2 121.6(17) . . ?
C3_2 C2_2 C1_2 119.9(19) . . ?
C7_2 C2_2 C1_2 118.5(15) . . ?

_refine_diff_density_max         1.500
_refine_diff_density_min         -0.431
_refine_diff_density_rms         0.087



_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Ethyl acetate, DMA'
