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

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_a
_database_code_depnum_ccdc_archive 'CCDC 2194134'
loop_
_audit_author_name
_audit_author_address
'complex A'
;Shanghai Jiao Tong University
China
;
_audit_update_record             
;
2023-09-17 deposited with the CCDC.	2023-11-24 downloaded from the CCDC.
;
_audit_creation_date             2023-09-08
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2019/2
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C46 H44 O8 P2 Rh2, C H2 Cl2'
_chemical_formula_sum            'C47 H46 Cl2 O8 P2 Rh2'
_chemical_formula_weight         1077.50
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 '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'
P P 0.2955 0.4335 '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'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   27.2748(8)
_cell_length_b                   19.7988(6)
_cell_length_c                   20.4678(5)
_cell_angle_alpha                90
_cell_angle_beta                 119.2820(10)
_cell_angle_gamma                90
_cell_volume                     9640.5(5)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9916
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      68.277
_cell_measurement_theta_min      2.904
_shelx_estimated_absorpt_T_max   0.376
_shelx_estimated_absorpt_T_min   0.312
_exptl_absorpt_coefficient_mu    7.595
_exptl_absorpt_correction_T_max  0.7531
_exptl_absorpt_correction_T_min  0.4940
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1139 before and 0.0816 after correction.
The Ratio of minimum to maximum transmission is 0.6560.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            green
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.485
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4368
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0686
_diffrn_reflns_av_unetI/netI     0.0477
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            46709
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         68.530
_diffrn_reflns_theta_min         2.904
_diffrn_ambient_temperature      173.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_source_current           45.0
_diffrn_source_power             2.25
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7260
_reflns_number_total             8834
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/2 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         2.039
_refine_diff_density_min         -1.092
_refine_diff_density_rms         0.111
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     586
_refine_ls_number_reflns         8834
_refine_ls_number_restraints     64
_refine_ls_R_factor_all          0.0618
_refine_ls_R_factor_gt           0.0492
_refine_ls_restrained_S_all      1.055
_refine_ls_shift/su_max          0.033
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0531P)²+65.6379P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1216
_refine_ls_wR_factor_ref         0.1288
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Restrained distances
 O8-H8
 0.87 with sigma of 0.01
 C47-H8
 1.914878 with sigma of 0.02
 Rh2-H8
 2.966358 with sigma of 0.02
3. Rigid bond restraints
 O2, C44
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
4. Uiso/Uaniso restraints and constraints
Uanis(C51) \\sim Ueq, Uanis(C39) \\sim Ueq, Uanis(C38) \\sim Ueq, Uanis(C52)
\\sim Ueq, Uanis(C37) \\sim Ueq, Uanis(C50) \\sim Ueq: with sigma of 0.005 and
sigma for terminal atoms of 0.01
Uanis(C18) \\sim Ueq, Uanis(C17) \\sim Ueq, Uanis(C19) \\sim Ueq, Uanis(C20)
\\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
5. Others
 Fixed Sof: H36(0.5) H36A(0.5) C37(0.5) H37(0.5) C38(0.5) H38(0.5) C39(0.5)
 H39(0.5) C51(0.5) H51(0.5) C52(0.5) H52(0.5) C50(0.5) H50(0.5)
6.a Secondary CH2 refined with riding coordinates:
 C46(H46A,H46B)
6.b Aromatic/amide H refined with riding coordinates:
 C5(H5), C9(H9), C10(H10), C11(H11), C17(H17), C18(H18), C19(H19), C20(H20),
 C21(H21), C23(H23), C24(H24), C25(H25), C26(H26), C27(H27), C29(H29), C30(H30),
  C31(H31), C32(H32), C35(H35), C36(H36), C36(H36A), C37(H37), C38(H38),
 C39(H39), C3(H3), C4(H4), C51(H51), C52(H52), C50(H50)
6.c Idealised Me refined as rotating group:
 C14(H14A,H14B,H14C), C15(H15A,H15B,H15C), C41(H41A,H41B,H41C), C43(H43A,H43B,
 H43C), C45(H45A,H45B,H45C), C47(H47A,H47B,H47C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
O5 O 0.60288(15) 0.58069(18) 0.06034(18) 0.0360(8) Uani 1 1 d . . . . .
C5 C 0.8558(2) 0.3373(3) 0.3033(3) 0.0350(11) Uani 1 1 d . . . . .
H5 H 0.859939 0.325395 0.261340 0.042 Uiso 1 1 calc R U . . .
O6 O 0.67565(14) 0.43062(16) 0.09847(17) 0.0303(7) Uani 1 1 d . . . . .
C6 C 0.8304(2) 0.3978(2) 0.3037(3) 0.0304(10) Uani 1 1 d . . . . .
O7 O 0.58401(15) 0.43212(18) 0.05858(19) 0.0381(8) Uani 1 1 d . . . . .
C7 C 0.7743(2) 0.4822(2) 0.4041(3) 0.0303(11) Uani 1 1 d . . . . .
O8 O 0.49886(15) 0.5096(2) 0.0753(2) 0.0407(9) Uani 1 1 d D . . . .
H8 H 0.4747(8) 0.526(3) 0.0314(14) 0.061 Uiso 1 1 d D U . . .
C8 C 0.7303(2) 0.5293(2) 0.3733(3) 0.0286(10) Uani 1 1 d . . . . .
C9 C 0.6995(2) 0.5393(3) 0.4105(3) 0.0348(11) Uani 1 1 d . . . . .
H9 H 0.668945 0.570190 0.391152 0.042 Uiso 1 1 calc R U . . .
C10 C 0.7137(2) 0.5041(3) 0.4756(3) 0.0380(12) Uani 1 1 d . . . . .
H10 H 0.693832 0.512566 0.502120 0.046 Uiso 1 1 calc R U . . .
Rh1 Rh 0.69879(2) 0.49706(2) 0.19096(2) 0.02486(11) Uani 1 1 d . . . . .
Cl1 Cl 0.50526(9) 0.27123(11) 0.02826(13) 0.0829(6) Uani 1 1 d . . . . .
P1 P 0.79874(5) 0.45949(6) 0.22674(7) 0.0293(3) Uani 1 1 d . . . . .
O1 O 0.80448(14) 0.47657(16) 0.36647(17) 0.0287(7) Uani 1 1 d . . . . .
C1 C 0.8259(2) 0.4132(2) 0.3673(3) 0.0287(10) Uani 1 1 d . . . . .
C11 C 0.7563(2) 0.4567(3) 0.5028(3) 0.0368(12) Uani 1 1 d . . . . .
H11 H 0.764690 0.432527 0.547195 0.044 Uiso 1 1 calc R U . . .
C12 C 0.7873(2) 0.4435(2) 0.4667(3) 0.0324(11) Uani 1 1 d . . . . .
C13 C 0.8348(2) 0.3913(3) 0.4943(3) 0.0377(12) Uani 1 1 d . . . . .
C14 C 0.8196(3) 0.3288(3) 0.5259(4) 0.0569(17) Uani 1 1 d . . . . .
H14A H 0.849920 0.295458 0.542726 0.085 Uiso 1 1 calc R U . . .
H14B H 0.784604 0.308905 0.486707 0.085 Uiso 1 1 calc R U . . .
H14C H 0.814571 0.342428 0.568276 0.085 Uiso 1 1 calc R U . . .
C15 C 0.8902(3) 0.4219(3) 0.5546(3) 0.0565(17) Uani 1 1 d . . . . .
H15A H 0.885344 0.438410 0.596179 0.085 Uiso 1 1 calc R U . . .
H15B H 0.901012 0.459464 0.533131 0.085 Uiso 1 1 calc R U . . .
H15C H 0.919645 0.387266 0.572969 0.085 Uiso 1 1 calc R U . . .
C16 C 0.8062(2) 0.4122(3) 0.1548(3) 0.0373(12) Uani 1 1 d . . . . .
C17 C 0.8414(3) 0.4311(3) 0.1276(4) 0.0539(16) Uani 1 1 d . U . . .
H17 H 0.863572 0.470784 0.146252 0.065 Uiso 1 1 calc R U . . .
C18 C 0.8448(3) 0.3925(4) 0.0730(4) 0.070(2) Uani 1 1 d . U . . .
H18 H 0.869741 0.405784 0.055344 0.083 Uiso 1 1 calc R U . . .
C19 C 0.8129(3) 0.3363(4) 0.0447(4) 0.0653(19) Uani 1 1 d . U . . .
H19 H 0.814557 0.311102 0.006385 0.078 Uiso 1 1 calc R U . . .
C20 C 0.7782(3) 0.3162(3) 0.0718(3) 0.0553(16) Uani 1 1 d . U . . .
H20 H 0.756842 0.275883 0.053539 0.066 Uiso 1 1 calc R U . . .
C21 C 0.7740(2) 0.3538(3) 0.1254(3) 0.0416(13) Uani 1 1 d . . . . .
H21 H 0.748906 0.339984 0.142520 0.050 Uiso 1 1 calc R U . . .
C22 C 0.7641(2) 0.6368(2) 0.3051(3) 0.0298(10) Uani 1 1 d . . . . .
C23 C 0.8173(2) 0.6373(3) 0.3690(3) 0.0350(12) Uani 1 1 d . . . . .
H23 H 0.829129 0.599985 0.402468 0.042 Uiso 1 1 calc R U . . .
C24 C 0.8525(3) 0.6921(3) 0.3832(3) 0.0454(14) Uani 1 1 d . . . . .
H24 H 0.888537 0.692313 0.426714 0.055 Uiso 1 1 calc R U . . .
C25 C 0.8359(3) 0.7467(3) 0.3348(3) 0.0421(13) Uani 1 1 d . . . . .
H25 H 0.860238 0.784430 0.345460 0.051 Uiso 1 1 calc R U . . .
C26 C 0.7843(2) 0.7461(3) 0.2715(3) 0.0398(13) Uani 1 1 d . . . . .
H26 H 0.773056 0.783301 0.237935 0.048 Uiso 1 1 calc R U . . .
C27 C 0.7483(2) 0.6918(3) 0.2562(3) 0.0349(11) Uani 1 1 d . . . . .
H27 H 0.712645 0.691940 0.212032 0.042 Uiso 1 1 calc R U . . .
C28 C 0.6498(2) 0.6167(2) 0.2601(3) 0.0295(10) Uani 1 1 d . . . . .
C29 C 0.6502(2) 0.6730(3) 0.3023(3) 0.0351(11) Uani 1 1 d . . . . .
H29 H 0.684218 0.686179 0.345148 0.042 Uiso 1 1 calc R U . . .
C30 C 0.6021(2) 0.7089(3) 0.2822(3) 0.0413(13) Uani 1 1 d . . . . .
H30 H 0.602003 0.745910 0.311767 0.050 Uiso 1 1 calc R U . . .
C31 C 0.5532(3) 0.6903(3) 0.2176(3) 0.0460(14) Uani 1 1 d . . . . .
H31 H 0.519754 0.715588 0.202359 0.055 Uiso 1 1 calc R U . . .
C32 C 0.5526(2) 0.6361(3) 0.1758(3) 0.0412(13) Uani 1 1 d . . . . .
H32 H 0.518788 0.625162 0.131527 0.049 Uiso 1 1 calc R U . . .
C33 C 0.6005(2) 0.5960(2) 0.1963(3) 0.0316(11) Uani 1 1 d . . . . .
C34 C 0.8533(2) 0.5242(3) 0.2544(3) 0.0434(13) Uani 1 1 d . . . . .
C35 C 0.8394(2) 0.5873(3) 0.2229(3) 0.0375(12) Uani 1 1 d . . . . .
H35 H 0.801153 0.597863 0.189450 0.045 Uiso 1 1 calc R U . . .
C36 C 0.8804(3) 0.6361(3) 0.2391(3) 0.0522(16) Uani 1 1 d . . . . .
H36 H 0.871617 0.675496 0.208934 0.063 Uiso 0.5 1 calc R U P A 1
H36A H 0.870488 0.682141 0.226465 0.063 Uiso 0.5 1 calc R U P B 2
C37 C 0.9329(7) 0.6276(9) 0.2979(10) 0.061(5) Uani 0.5 1 d . U P C 1
H37 H 0.960133 0.662434 0.311871 0.073 Uiso 0.5 1 calc R U P C 1
C38 C 0.9459(7) 0.5690(9) 0.3363(10) 0.073(4) Uani 0.5 1 d . U P C 1
H38 H 0.983475 0.562364 0.375079 0.088 Uiso 0.5 1 calc R U P C 1
C39 C 0.9070(7) 0.5176(8) 0.3220(10) 0.065(4) Uani 0.5 1 d . U P C 1
H39 H 0.915377 0.480185 0.354859 0.079 Uiso 0.5 1 calc R U P C 1
C40 C 0.6509(2) 0.5961(2) 0.0708(3) 0.0321(11) Uani 1 1 d . . . . .
C41 C 0.6540(3) 0.6443(3) 0.0166(3) 0.0456(14) Uani 1 1 d . . . . .
H41A H 0.658713 0.618987 -0.021129 0.068 Uiso 1 1 calc R U . . .
H41B H 0.686138 0.674704 0.043569 0.068 Uiso 1 1 calc R U . . .
H41C H 0.619309 0.670876 -0.008128 0.068 Uiso 1 1 calc R U . . .
C42 C 0.6265(2) 0.4106(3) 0.0555(3) 0.0337(11) Uani 1 1 d . . . . .
C43 C 0.6184(2) 0.3588(3) -0.0024(3) 0.0399(13) Uani 1 1 d . . . . .
H43A H 0.618672 0.380991 -0.045019 0.060 Uiso 1 1 calc R U . . .
H43B H 0.582354 0.335799 -0.019491 0.060 Uiso 1 1 calc R U . . .
H43C H 0.648980 0.325629 0.019508 0.060 Uiso 1 1 calc R U . . .
C44 C 0.6433(2) 0.4142(3) 0.2523(3) 0.0326(10) Uani 1 1 d . U . . .
C45 C 0.6419(3) 0.3633(3) 0.3053(3) 0.0432(13) Uani 1 1 d . . . . .
H45A H 0.657741 0.320536 0.300011 0.065 Uiso 1 1 calc R U . . .
H45B H 0.602936 0.356068 0.293860 0.065 Uiso 1 1 calc R U . . .
H45C H 0.664097 0.379791 0.356816 0.065 Uiso 1 1 calc R U . . .
C46 C 0.5032(3) 0.3371(4) 0.0843(4) 0.0628(18) Uani 1 1 d . . . . .
H46A H 0.475106 0.371155 0.052229 0.075 Uiso 1 1 calc R U . . .
H46B H 0.540362 0.359382 0.110625 0.075 Uiso 1 1 calc R U . . .
C47 C 0.4696(3) 0.4974(3) 0.1167(4) 0.0516(15) Uani 1 1 d D . . . .
H47A H 0.434614 0.473034 0.084940 0.077 Uiso 1 1 calc R U . . .
H47B H 0.460927 0.540668 0.132052 0.077 Uiso 1 1 calc R U . . .
H47C H 0.493388 0.470355 0.161194 0.077 Uiso 1 1 calc R U . . .
Rh2 Rh 0.59646(2) 0.51611(2) 0.13549(2) 0.02951(11) Uani 1 1 d D . . . .
Cl2 Cl 0.48503(9) 0.30518(12) 0.15108(12) 0.0866(6) Uani 1 1 d . . . . .
P2 P 0.71259(5) 0.56911(6) 0.28323(6) 0.0261(3) Uani 1 1 d . . . . .
O2 O 0.68923(14) 0.41932(16) 0.25076(17) 0.0291(7) Uani 1 1 d . U . . .
C2 C 0.8425(2) 0.3704(3) 0.4274(3) 0.0319(11) Uani 1 1 d . . . . .
O3 O 0.59932(14) 0.44881(17) 0.21353(19) 0.0330(8) Uani 1 1 d . . . . .
C3 C 0.8681(2) 0.3101(3) 0.4256(3) 0.0383(12) Uani 1 1 d . . . . .
H3 H 0.880910 0.279419 0.466373 0.046 Uiso 1 1 calc R U . . .
O4 O 0.69766(14) 0.57382(16) 0.12220(17) 0.0307(7) Uani 1 1 d . . . . .
C4 C 0.8751(2) 0.2944(3) 0.3644(3) 0.0403(13) Uani 1 1 d . . . . .
H4 H 0.893452 0.253533 0.364434 0.048 Uiso 1 1 calc R U . . .
C51 C 0.9100(6) 0.5043(7) 0.2880(8) 0.049(3) Uani 0.5 1 d . U P C 2
H51 H 0.919491 0.458152 0.300635 0.059 Uiso 0.5 1 calc R U P C 2
C52 C 0.9521(6) 0.5503(8) 0.3027(9) 0.061(4) Uani 0.5 1 d . U P C 2
H52 H 0.990504 0.537668 0.331421 0.073 Uiso 0.5 1 calc R U P C 2
C50 C 0.9374(7) 0.6151(9) 0.2750(8) 0.052(4) Uani 0.5 1 d . U P C 2
H50 H 0.965715 0.646005 0.280072 0.062 Uiso 0.5 1 calc R U P C 2


_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
O5 C40 1.256(6) . ?
O5 Rh2 2.072(3) . ?
C5 H5 0.9500 . ?
C5 C6 1.384(7) . ?
C5 C4 1.385(7) . ?
O6 Rh1 2.132(3) . ?
O6 C42 1.255(6) . ?
C6 P1 1.840(5) . ?
C6 C1 1.400(6) . ?
O7 C42 1.265(6) . ?
O7 Rh2 2.199(3) . ?
C7 C8 1.403(7) . ?
C7 O1 1.380(6) . ?
C7 C12 1.382(7) . ?
O8 H8 0.874(9) . ?
O8 C47 1.439(7) . ?
O8 Rh2 2.326(4) . ?
C8 C9 1.398(7) . ?
C8 P2 1.838(5) . ?
C9 H9 0.9500 . ?
C9 C10 1.381(7) . ?
C10 H10 0.9500 . ?
C10 C11 1.382(8) . ?
Rh1 P1 2.5630(13) . ?
Rh1 Rh2 2.4742(5) . ?
Rh1 P2 2.2467(12) . ?
Rh1 O2 2.061(3) . ?
Rh1 O4 2.061(3) . ?
Cl1 C46 1.755(7) . ?
P1 C16 1.838(5) . ?
P1 C34 1.830(6) . ?
O1 C1 1.380(6) . ?
C1 C2 1.377(7) . ?
C11 H11 0.9500 . ?
C11 C12 1.392(7) . ?
C12 C13 1.533(7) . ?
C13 C14 1.545(8) . ?
C13 C15 1.532(8) . ?
C13 C2 1.538(7) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.376(8) . ?
C16 C21 1.397(8) . ?
C17 H17 0.9500 . ?
C17 C18 1.394(9) . ?
C18 H18 0.9500 . ?
C18 C19 1.356(11) . ?
C19 H19 0.9500 . ?
C19 C20 1.370(10) . ?
C20 H20 0.9500 . ?
C20 C21 1.375(8) . ?
C21 H21 0.9500 . ?
C22 C23 1.398(7) . ?
C22 C27 1.398(7) . ?
C22 P2 1.833(5) . ?
C23 H23 0.9500 . ?
C23 C24 1.384(7) . ?
C24 H24 0.9500 . ?
C24 C25 1.384(8) . ?
C25 H25 0.9500 . ?
C25 C26 1.371(8) . ?
C26 H26 0.9500 . ?
C26 C27 1.384(7) . ?
C27 H27 0.9500 . ?
C28 C29 1.406(7) . ?
C28 C33 1.403(7) . ?
C28 P2 1.803(5) . ?
C29 H29 0.9500 . ?
C29 C30 1.368(7) . ?
C30 H30 0.9500 . ?
C30 C31 1.391(8) . ?
C31 H31 0.9500 . ?
C31 C32 1.369(8) . ?
C32 H32 0.9500 . ?
C32 C33 1.405(7) . ?
C33 Rh2 1.981(5) . ?
C34 C35 1.372(8) . ?
C34 C39 1.448(17) . ?
C34 C51 1.409(15) . ?
C35 H35 0.9500 . ?
C35 C36 1.388(8) . ?
C36 H36 0.9500 . ?
C36 H36A 0.9500 . ?
C36 C37 1.358(19) . ?
C36 C50 1.419(17) . ?
C37 H37 0.9500 . ?
C37 C38 1.35(2) . ?
C38 H38 0.9500 . ?
C38 C39 1.39(2) . ?
C39 H39 0.9500 . ?
C40 C41 1.498(7) . ?
C40 O4 1.271(6) . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 C43 1.500(7) . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 C45 1.495(7) . ?
C44 O2 1.274(6) . ?
C44 O3 1.266(6) . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C46 Cl2 1.782(7) . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
Rh2 O3 2.052(3) . ?
C2 C3 1.395(7) . ?
C3 H3 0.9500 . ?
C3 C4 1.391(7) . ?
C4 H4 0.9500 . ?
C51 H51 0.9500 . ?
C51 C52 1.378(19) . ?
C52 H52 0.9500 . ?
C52 C50 1.38(2) . ?
C50 H50 0.9500 . ?

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
C40 O5 Rh2 118.9(3) . . ?
C6 C5 H5 120.1 . . ?
C6 C5 C4 119.8(5) . . ?
C4 C5 H5 120.1 . . ?
C42 O6 Rh1 124.6(3) . . ?
C5 C6 P1 126.6(4) . . ?
C5 C6 C1 117.7(4) . . ?
C1 C6 P1 115.6(4) . . ?
C42 O7 Rh2 117.8(3) . . ?
O1 C7 C8 114.4(4) . . ?
O1 C7 C12 121.4(5) . . ?
C12 C7 C8 124.1(5) . . ?
C47 O8 H8 108.1(16) . . ?
C47 O8 Rh2 121.2(3) . . ?
Rh2 O8 H8 128.1(16) . . ?
C7 C8 P2 119.0(4) . . ?
C9 C8 C7 117.3(4) . . ?
C9 C8 P2 123.5(4) . . ?
C8 C9 H9 120.1 . . ?
C10 C9 C8 119.7(5) . . ?
C10 C9 H9 120.1 . . ?
C9 C10 H10 119.5 . . ?
C9 C10 C11 121.0(5) . . ?
C11 C10 H10 119.5 . . ?
O6 Rh1 P1 83.46(9) . . ?
O6 Rh1 Rh2 84.78(9) . . ?
O6 Rh1 P2 173.43(10) . . ?
Rh2 Rh1 P1 168.21(3) . . ?
P2 Rh1 P1 103.10(4) . . ?
P2 Rh1 Rh2 88.66(3) . . ?
O2 Rh1 O6 89.89(13) . . ?
O2 Rh1 P1 92.26(10) . . ?
O2 Rh1 Rh2 86.81(9) . . ?
O2 Rh1 P2 89.58(9) . . ?
O2 Rh1 O4 172.81(13) . . ?
O4 Rh1 O6 87.11(13) . . ?
O4 Rh1 P1 93.88(10) . . ?
O4 Rh1 Rh2 86.42(10) . . ?
O4 Rh1 P2 92.65(9) . . ?
C6 P1 Rh1 115.16(16) . . ?
C16 P1 C6 99.1(2) . . ?
C16 P1 Rh1 115.99(18) . . ?
C34 P1 C6 103.3(2) . . ?
C34 P1 Rh1 118.3(2) . . ?
C34 P1 C16 102.3(3) . . ?
C1 O1 C7 115.5(4) . . ?
O1 C1 C6 114.6(4) . . ?
C2 C1 C6 123.9(5) . . ?
C2 C1 O1 121.5(4) . . ?
C10 C11 H11 119.2 . . ?
C10 C11 C12 121.5(5) . . ?
C12 C11 H11 119.2 . . ?
C7 C12 C11 116.2(5) . . ?
C7 C12 C13 120.1(4) . . ?
C11 C12 C13 123.7(4) . . ?
C12 C13 C14 109.9(5) . . ?
C12 C13 C2 108.2(4) . . ?
C15 C13 C12 110.7(4) . . ?
C15 C13 C14 109.9(5) . . ?
C15 C13 C2 108.3(5) . . ?
C2 C13 C14 109.8(4) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C16 P1 123.9(5) . . ?
C17 C16 C21 117.8(5) . . ?
C21 C16 P1 118.3(4) . . ?
C16 C17 H17 119.7 . . ?
C16 C17 C18 120.6(7) . . ?
C18 C17 H17 119.7 . . ?
C17 C18 H18 119.6 . . ?
C19 C18 C17 120.7(7) . . ?
C19 C18 H18 119.6 . . ?
C18 C19 H19 120.2 . . ?
C18 C19 C20 119.5(6) . . ?
C20 C19 H19 120.2 . . ?
C19 C20 H20 119.7 . . ?
C19 C20 C21 120.5(7) . . ?
C21 C20 H20 119.7 . . ?
C16 C21 H21 119.6 . . ?
C20 C21 C16 120.8(6) . . ?
C20 C21 H21 119.6 . . ?
C23 C22 P2 123.6(4) . . ?
C27 C22 C23 118.7(5) . . ?
C27 C22 P2 117.6(4) . . ?
C22 C23 H23 120.1 . . ?
C24 C23 C22 119.8(5) . . ?
C24 C23 H23 120.1 . . ?
C23 C24 H24 119.6 . . ?
C25 C24 C23 120.8(5) . . ?
C25 C24 H24 119.6 . . ?
C24 C25 H25 120.2 . . ?
C26 C25 C24 119.6(5) . . ?
C26 C25 H25 120.2 . . ?
C25 C26 H26 119.7 . . ?
C25 C26 C27 120.6(5) . . ?
C27 C26 H26 119.7 . . ?
C22 C27 H27 119.8 . . ?
C26 C27 C22 120.4(5) . . ?
C26 C27 H27 119.8 . . ?
C29 C28 P2 122.2(4) . . ?
C33 C28 C29 121.3(5) . . ?
C33 C28 P2 116.5(4) . . ?
C28 C29 H29 119.7 . . ?
C30 C29 C28 120.7(5) . . ?
C30 C29 H29 119.7 . . ?
C29 C30 H30 120.7 . . ?
C29 C30 C31 118.7(5) . . ?
C31 C30 H30 120.7 . . ?
C30 C31 H31 119.5 . . ?
C32 C31 C30 121.0(5) . . ?
C32 C31 H31 119.5 . . ?
C31 C32 H32 118.9 . . ?
C31 C32 C33 122.2(5) . . ?
C33 C32 H32 118.9 . . ?
C28 C33 C32 116.1(4) . . ?
C28 C33 Rh2 123.5(4) . . ?
C32 C33 Rh2 120.4(4) . . ?
C35 C34 P1 119.8(4) . . ?
C35 C34 C39 116.7(8) . . ?
C35 C34 C51 117.9(7) . . ?
C39 C34 P1 121.5(8) . . ?
C51 C34 P1 119.2(7) . . ?
C34 C35 H35 119.4 . . ?
C34 C35 C36 121.1(6) . . ?
C36 C35 H35 119.4 . . ?
C35 C36 H36 119.9 . . ?
C35 C36 H36A 121.0 . . ?
C35 C36 C50 118.1(8) . . ?
C37 C36 C35 120.1(9) . . ?
C37 C36 H36 119.9 . . ?
C50 C36 H36A 121.0 . . ?
C36 C37 H37 120.4 . . ?
C38 C37 C36 119.1(15) . . ?
C38 C37 H37 120.4 . . ?
C37 C38 H38 118.3 . . ?
C37 C38 C39 123.4(17) . . ?
C39 C38 H38 118.3 . . ?
C34 C39 H39 121.8 . . ?
C38 C39 C34 116.4(14) . . ?
C38 C39 H39 121.8 . . ?
O5 C40 C41 117.5(5) . . ?
O5 C40 O4 126.7(5) . . ?
O4 C40 C41 115.9(5) . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
C40 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
O6 C42 O7 123.3(4) . . ?
O6 C42 C43 117.6(5) . . ?
O7 C42 C43 119.1(5) . . ?
C42 C43 H43A 109.5 . . ?
C42 C43 H43B 109.5 . . ?
C42 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
O2 C44 C45 116.5(5) . . ?
O3 C44 C45 117.9(5) . . ?
O3 C44 O2 125.7(5) . . ?
C44 C45 H45A 109.5 . . ?
C44 C45 H45B 109.5 . . ?
C44 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
Cl1 C46 H46A 109.6 . . ?
Cl1 C46 H46B 109.6 . . ?
Cl1 C46 Cl2 110.4(4) . . ?
H46A C46 H46B 108.1 . . ?
Cl2 C46 H46A 109.6 . . ?
Cl2 C46 H46B 109.6 . . ?
O8 C47 H47A 109.5 . . ?
O8 C47 H47B 109.5 . . ?
O8 C47 H47C 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
O5 Rh2 O7 88.56(14) . . ?
O5 Rh2 O8 97.56(14) . . ?
O5 Rh2 Rh1 87.06(10) . . ?
O7 Rh2 O8 80.99(13) . . ?
O7 Rh2 Rh1 87.58(9) . . ?
O8 Rh2 Rh1 167.53(10) . . ?
C33 Rh2 O5 88.56(17) . . ?
C33 Rh2 O7 174.05(18) . . ?
C33 Rh2 O8 94.24(17) . . ?
C33 Rh2 Rh1 97.46(15) . . ?
C33 Rh2 O3 93.45(17) . . ?
O3 Rh2 O5 173.45(14) . . ?
O3 Rh2 O7 90.00(14) . . ?
O3 Rh2 O8 88.52(14) . . ?
O3 Rh2 Rh1 86.50(10) . . ?
C8 P2 Rh1 115.12(15) . . ?
C22 P2 C8 105.9(2) . . ?
C22 P2 Rh1 117.58(15) . . ?
C28 P2 C8 103.8(2) . . ?
C28 P2 Rh1 111.36(16) . . ?
C28 P2 C22 101.4(2) . . ?
C44 O2 Rh1 119.1(3) . . ?
C1 C2 C13 120.1(4) . . ?
C1 C2 C3 116.9(5) . . ?
C3 C2 C13 122.9(4) . . ?
C44 O3 Rh2 120.2(3) . . ?
C2 C3 H3 119.7 . . ?
C4 C3 C2 120.5(5) . . ?
C4 C3 H3 119.7 . . ?
C40 O4 Rh1 119.6(3) . . ?
C5 C4 C3 121.0(5) . . ?
C5 C4 H4 119.5 . . ?
C3 C4 H4 119.5 . . ?
C34 C51 H51 119.3 . . ?
C52 C51 C34 121.4(12) . . ?
C52 C51 H51 119.3 . . ?
C51 C52 H52 120.6 . . ?
C51 C52 C50 118.7(14) . . ?
C50 C52 H52 120.6 . . ?
C36 C50 H50 119.7 . . ?
C52 C50 C36 120.6(13) . . ?
C52 C50 H50 119.7 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O5 C40 O4 Rh1 7.3(7) . . . . ?
C5 C6 P1 Rh1 129.4(4) . . . . ?
C5 C6 P1 C16 5.0(5) . . . . ?
C5 C6 P1 C34 -100.1(5) . . . . ?
C5 C6 C1 O1 174.8(4) . . . . ?
C5 C6 C1 C2 -3.6(8) . . . . ?
C6 C5 C4 C3 1.7(9) . . . . ?
C6 P1 C16 C17 -112.3(5) . . . . ?
C6 P1 C16 C21 68.3(4) . . . . ?
C6 P1 C34 C35 -161.1(5) . . . . ?
C6 P1 C34 C39 2.2(10) . . . . ?
C6 P1 C34 C51 39.2(8) . . . . ?
C6 C1 C2 C13 -178.8(5) . . . . ?
C6 C1 C2 C3 3.8(8) . . . . ?
C7 C8 C9 C10 1.1(7) . . . . ?
C7 C8 P2 Rh1 51.3(4) . . . . ?
C7 C8 P2 C22 -80.4(4) . . . . ?
C7 C8 P2 C28 173.3(4) . . . . ?
C7 O1 C1 C6 149.3(4) . . . . ?
C7 O1 C1 C2 -32.3(6) . . . . ?
C7 C12 C13 C14 -144.5(5) . . . . ?
C7 C12 C13 C15 93.9(6) . . . . ?
C7 C12 C13 C2 -24.6(6) . . . . ?
C8 C7 O1 C1 -147.8(4) . . . . ?
C8 C7 C12 C11 -4.4(7) . . . . ?
C8 C7 C12 C13 177.6(4) . . . . ?
C8 C9 C10 C11 -3.0(8) . . . . ?
C9 C8 P2 Rh1 -123.4(4) . . . . ?
C9 C8 P2 C22 104.9(4) . . . . ?
C9 C8 P2 C28 -1.5(5) . . . . ?
C9 C10 C11 C12 1.2(8) . . . . ?
C10 C11 C12 C7 2.3(8) . . . . ?
C10 C11 C12 C13 -179.8(5) . . . . ?
Rh1 O6 C42 O7 5.9(7) . . . . ?
Rh1 O6 C42 C43 -174.3(3) . . . . ?
Rh1 P1 C16 C17 123.9(5) . . . . ?
Rh1 P1 C16 C21 -55.5(4) . . . . ?
Rh1 P1 C34 C35 -32.5(6) . . . . ?
Rh1 P1 C34 C39 130.8(9) . . . . ?
Rh1 P1 C34 C51 167.8(7) . . . . ?
P1 C6 C1 O1 -7.6(6) . . . . ?
P1 C6 C1 C2 174.0(4) . . . . ?
P1 C16 C17 C18 180.0(5) . . . . ?
P1 C16 C21 C20 -179.5(4) . . . . ?
P1 C34 C35 C36 -175.8(4) . . . . ?
P1 C34 C39 C38 178.2(12) . . . . ?
P1 C34 C51 C52 173.2(11) . . . . ?
O1 C7 C8 C9 -177.6(4) . . . . ?
O1 C7 C8 P2 7.4(6) . . . . ?
O1 C7 C12 C11 175.9(4) . . . . ?
O1 C7 C12 C13 -2.0(7) . . . . ?
O1 C1 C2 C13 2.9(7) . . . . ?
O1 C1 C2 C3 -174.5(4) . . . . ?
C1 C6 P1 Rh1 -48.0(4) . . . . ?
C1 C6 P1 C16 -172.4(4) . . . . ?
C1 C6 P1 C34 82.6(4) . . . . ?
C1 C2 C3 C4 -1.2(8) . . . . ?
C11 C12 C13 C14 37.7(7) . . . . ?
C11 C12 C13 C15 -83.9(6) . . . . ?
C11 C12 C13 C2 157.6(5) . . . . ?
C12 C7 C8 C9 2.7(7) . . . . ?
C12 C7 C8 P2 -172.3(4) . . . . ?
C12 C7 O1 C1 31.8(6) . . . . ?
C12 C13 C2 C1 24.2(7) . . . . ?
C12 C13 C2 C3 -158.6(5) . . . . ?
C13 C2 C3 C4 -178.5(5) . . . . ?
C14 C13 C2 C1 144.2(5) . . . . ?
C14 C13 C2 C3 -38.6(7) . . . . ?
C15 C13 C2 C1 -95.8(6) . . . . ?
C15 C13 C2 C3 81.4(6) . . . . ?
C16 P1 C34 C35 96.4(5) . . . . ?
C16 P1 C34 C39 -100.4(9) . . . . ?
C16 P1 C34 C51 -63.3(8) . . . . ?
C16 C17 C18 C19 1.1(11) . . . . ?
C17 C16 C21 C20 1.0(8) . . . . ?
C17 C18 C19 C20 -2.0(11) . . . . ?
C18 C19 C20 C21 2.4(10) . . . . ?
C19 C20 C21 C16 -1.9(9) . . . . ?
C21 C16 C17 C18 -0.6(9) . . . . ?
C22 C23 C24 C25 -0.2(8) . . . . ?
C23 C22 C27 C26 -1.2(7) . . . . ?
C23 C22 P2 C8 24.2(5) . . . . ?
C23 C22 P2 Rh1 -106.1(4) . . . . ?
C23 C22 P2 C28 132.3(4) . . . . ?
C23 C24 C25 C26 -0.9(9) . . . . ?
C24 C25 C26 C27 0.9(8) . . . . ?
C25 C26 C27 C22 0.2(8) . . . . ?
C27 C22 C23 C24 1.2(7) . . . . ?
C27 C22 P2 C8 -153.6(4) . . . . ?
C27 C22 P2 Rh1 76.1(4) . . . . ?
C27 C22 P2 C28 -45.6(4) . . . . ?
C28 C29 C30 C31 -2.4(8) . . . . ?
C29 C28 C33 C32 2.4(7) . . . . ?
C29 C28 C33 Rh2 -178.6(4) . . . . ?
C29 C28 P2 C8 66.9(4) . . . . ?
C29 C28 P2 Rh1 -168.6(4) . . . . ?
C29 C28 P2 C22 -42.8(4) . . . . ?
C29 C30 C31 C32 1.7(9) . . . . ?
C30 C31 C32 C33 1.2(9) . . . . ?
C31 C32 C33 C28 -3.1(8) . . . . ?
C31 C32 C33 Rh2 177.8(4) . . . . ?
C33 C28 C29 C30 0.3(8) . . . . ?
C33 C28 P2 C8 -114.8(4) . . . . ?
C33 C28 P2 Rh1 9.6(4) . . . . ?
C33 C28 P2 C22 135.5(4) . . . . ?
C34 P1 C16 C17 -6.5(5) . . . . ?
C34 P1 C16 C21 174.1(4) . . . . ?
C34 C35 C36 C37 -14.1(12) . . . . ?
C34 C35 C36 C50 14.0(11) . . . . ?
C34 C51 C52 C50 -9(2) . . . . ?
C35 C34 C39 C38 -18.1(19) . . . . ?
C35 C34 C51 C52 13.1(18) . . . . ?
C35 C36 C37 C38 5(2) . . . . ?
C35 C36 C50 C52 -9.2(18) . . . . ?
C36 C37 C38 C39 -4(3) . . . . ?
C37 C38 C39 C34 11(3) . . . . ?
C39 C34 C35 C36 20.2(11) . . . . ?
C41 C40 O4 Rh1 -171.3(3) . . . . ?
C45 C44 O2 Rh1 -171.4(3) . . . . ?
C45 C44 O3 Rh2 -176.7(3) . . . . ?
Rh2 O5 C40 C41 -178.4(3) . . . . ?
Rh2 O5 C40 O4 3.1(7) . . . . ?
Rh2 O7 C42 O6 6.5(7) . . . . ?
Rh2 O7 C42 C43 -173.3(3) . . . . ?
P2 C8 C9 C10 175.9(4) . . . . ?
P2 C22 C23 C24 -176.6(4) . . . . ?
P2 C22 C27 C26 176.8(4) . . . . ?
P2 C28 C29 C30 178.5(4) . . . . ?
P2 C28 C33 C32 -175.9(4) . . . . ?
P2 C28 C33 Rh2 3.1(6) . . . . ?
O2 C44 O3 Rh2 3.9(7) . . . . ?
C2 C3 C4 C5 -1.5(9) . . . . ?
O3 C44 O2 Rh1 8.0(6) . . . . ?
C4 C5 C6 P1 -176.6(4) . . . . ?
C4 C5 C6 C1 0.7(8) . . . . ?
C51 C34 C35 C36 -15.8(11) . . . . ?
C51 C52 C50 C36 7(2) . . . . ?

_platon_squeeze_details          TITL
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.500 0.000 0.500 490 144 ' '
2 0.000 0.500 0.343 490 144 ' '


_olex2_submission_special_instructions 'No special instructions were received'
