# 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_1-iPr
_database_code_depnum_ccdc_archive 'CCDC 2064124'
loop_
_audit_author_name
_audit_author_address
'Timothy M. Boyd'
;University of Oxford
United Kingdom
;
# end Validation Reply Form

_audit_update_record             
;
2021-02-21 deposited with the CCDC.	2021-05-25 downloaded from the CCDC.
;

# start Validation Reply Form
_vrf_THETM01_1-iPr               
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.575
RESPONSE: Diffraction only seen to 0.88 \%A resolution see
 _publ_section_exptl_refinemen
;
_publcif_datablock.id            {d5a2c1de-7e0f-49c0-8c38-2cae73463b16}
_audit_creation_date             2020-09-21
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C48 H52 O P2'
_chemical_formula_sum            'C48 H52 O P2'
_chemical_formula_weight         706.83
_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'

_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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.3692(5)
_cell_length_b                   13.6847(9)
_cell_length_c                   18.8298(8)
_cell_angle_alpha                105.445(5)
_cell_angle_beta                 99.637(4)
_cell_angle_gamma                99.462(5)
_cell_volume                     1999.2(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    2069
_cell_measurement_temperature    110.00(10)
_cell_measurement_theta_max      60.5420
_cell_measurement_theta_min      4.8240
_shelx_estimated_absorpt_T_max   0.941
_shelx_estimated_absorpt_T_min   0.789
_exptl_absorpt_coefficient_mu    1.242
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.97262
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.67a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.174
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             756
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0531
_diffrn_reflns_av_unetI/netI     0.0825
_diffrn_reflns_Laue_measured_fraction_full 0.982
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            11012
_diffrn_reflns_point_group_measured_fraction_full 0.982
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_theta_full        61.202
_diffrn_reflns_theta_max         61.202
_diffrn_reflns_theta_min         4.821
_diffrn_ambient_temperature      110.00(10)
_diffrn_detector_area_resol_mean 16.1450
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -16.00  64.00   1.00    5.00    --   33.92 -77.00-120.00   80
  2  ω     -5.00  54.00   1.00    5.00    --   33.92 -57.00  90.00   59
  3  ω     20.00  81.00   1.00    5.00    --   33.92  57.00  90.00   61
  4  ω    -31.00  -4.00   1.00    5.00    --   33.92 -57.00 -30.00   27
  5  ω     14.00  99.00   1.00    5.00    --   33.92  57.00  30.00   85
  6  ω     21.00  81.00   1.00    5.00    --   33.92  37.00-120.00   60
  7  ω     52.00  88.00   1.00    5.00    --   33.92  57.00 -60.00   36
  8  ω    118.00 144.00   1.00   25.00    --   87.85 111.00-180.00   26
  9  ω     46.00 111.00   1.00   25.00    --   87.85 -45.00  90.00   65
 10  ω     24.00 105.00   1.00   25.00    --   87.85 -77.00-150.00   81
 11  ω     19.00  45.00   1.00   25.00    --   87.85 -45.00  90.00   26
 12  ω     58.00  96.00   1.00   25.00    --   87.85-111.00   0.00   38
 13  ω    108.00 144.00   1.00   25.00    --   87.85 178.00 -60.00   36
 14  ω    103.00 152.00   1.00   25.00    --   87.85  77.00-180.00   49
 15  ω     73.00 109.00   1.00   25.00    --   87.85  61.00-120.00   36
 16  ω     18.00 104.00   1.00   25.00    --   87.85 -45.00-120.00   86
 17  ω     20.00  98.00   1.00   25.00    --   87.85 -61.00  60.00   78
 18  ω     81.00 106.00   1.00   25.00    --   87.85-111.00-120.00   25
 19  ω     16.00 106.00   1.00   25.00    --   87.85 -94.00  30.00   90
 20  ω    121.00 147.00   1.00   25.00    --   87.85  77.00-120.00   26
 21  ω     15.00 161.00   1.00   25.00    --   87.85   0.00-180.00  146
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4278
_reflns_number_total             6053
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.298
_refine_diff_density_min         -0.280
_refine_diff_density_rms         0.053
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.006
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     468
_refine_ls_number_reflns         6053
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0846
_refine_ls_R_factor_gt           0.0537
_refine_ls_restrained_S_all      1.006
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0633P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1252
_refine_ls_wR_factor_ref         0.1449
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C37(H37), C43(H43), C46(H46), C40(H40)
2.b Aromatic/amide H refined with riding coordinates:
 C17(H17), C21(H21), C23(H23), C14(H14), C20(H20), C8(H8), C22(H22), C16(H16),
 C15(H15), C1(H1), C26(H26), C27(H27), C4(H4), C2(H2), C11(H11), C9(H9),
 C29(H29), C3(H3), C10(H10), C32(H32), C28(H28), C35(H35), C33(H33), C34(H34)
2.c Idealised Me refined as rotating group:
 C44(H44A,H44B,H44C), C48(H48A,H48B,H48C), C39(H39A,H39B,H39C), C38(H38A,H38B,
 H38C), C47(H47A,H47B,H47C), C41(H41A,H41B,H41C), C45(H45A,H45B,H45C), C42(H42A,
 H42B,H42C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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
P1 P 0.37723(10) 0.64304(6) 0.81643(4) 0.0272(2) Uani 1 1 d . . . . .
P2 P 0.34841(10) 0.90005(6) 0.70132(4) 0.0274(2) Uani 1 1 d . . . . .
O1 O 0.3711(2) 0.85788(15) 0.84561(11) 0.0253(5) Uani 1 1 d . . . . .
C18 C 0.5361(4) 0.8506(2) 0.85755(16) 0.0236(7) Uani 1 1 d . . . . .
C19 C 0.3353(3) 0.9550(2) 0.85162(17) 0.0240(7) Uani 1 1 d . . . . .
C24 C 0.3132(3) 0.9877(2) 0.78716(16) 0.0228(6) Uani 1 1 d . . . . .
C13 C 0.5607(4) 0.7499(2) 0.85114(16) 0.0247(7) Uani 1 1 d . . . . .
C17 C 0.6675(4) 0.9347(2) 0.87477(16) 0.0267(7) Uani 1 1 d . . . . .
H17 H 0.647933 1.000797 0.879414 0.032 Uiso 1 1 calc R U . . .
C21 C 0.2640(4) 1.1060(3) 0.92507(18) 0.0307(7) Uani 1 1 d . . . . .
H21 H 0.245669 1.144940 0.970420 0.037 Uiso 1 1 calc R U . . .
C23 C 0.2694(4) 1.0824(2) 0.79404(18) 0.0289(7) Uani 1 1 d . . . . .
H23 H 0.255704 1.106960 0.752341 0.035 Uiso 1 1 calc R U . . .
C14 C 0.7239(4) 0.7381(3) 0.86149(17) 0.0286(7) Uani 1 1 d . . . . .
H14 H 0.744149 0.672133 0.856965 0.034 Uiso 1 1 calc R U . . .
C20 C 0.3098(4) 1.0122(2) 0.91998(17) 0.0274(7) Uani 1 1 d . . . . .
H20 H 0.323244 0.987814 0.961740 0.033 Uiso 1 1 calc R U . . .
C30 C 0.5199(4) 1.0442(3) 0.64322(18) 0.0315(7) Uani 1 1 d . . . . .
C8 C 0.5376(4) 0.5342(3) 0.90359(19) 0.0306(7) Uani 1 1 d . . . . .
H8 H 0.553393 0.594757 0.943304 0.037 Uiso 1 1 calc R U . . .
C22 C 0.2455(4) 1.1420(3) 0.86287(19) 0.0320(7) Uani 1 1 d . . . . .
H22 H 0.217105 1.205824 0.866717 0.038 Uiso 1 1 calc R U . . .
C6 C 0.2647(4) 0.6627(2) 0.89380(18) 0.0288(7) Uani 1 1 d . . . . .
C31 C 0.1402(4) 0.8139(3) 0.66072(18) 0.0328(8) Uani 1 1 d . . . . .
C16 C 0.8290(4) 0.9201(3) 0.88511(18) 0.0331(8) Uani 1 1 d . . . . .
H16 H 0.918021 0.976411 0.896584 0.040 Uiso 1 1 calc R U . . .
C7 C 0.4624(4) 0.5313(2) 0.83101(18) 0.0292(7) Uani 1 1 d . . . . .
C25 C 0.3623(4) 0.9876(3) 0.64186(17) 0.0304(7) Uani 1 1 d . . . . .
C15 C 0.8572(4) 0.8213(3) 0.87831(18) 0.0326(8) Uani 1 1 d . . . . .
H15 H 0.965124 0.811042 0.885011 0.039 Uiso 1 1 calc R U . . .
C36 C 0.1194(4) 0.7305(3) 0.59452(19) 0.0358(8) Uani 1 1 d . . . . .
C1 C 0.3173(4) 0.7463(3) 0.95959(18) 0.0327(8) Uani 1 1 d . . . . .
H1 H 0.417910 0.792573 0.967541 0.039 Uiso 1 1 calc R U . . .
C12 C 0.4355(4) 0.4400(3) 0.77098(19) 0.0339(8) Uani 1 1 d . . . . .
C37 C 0.0527(4) 0.4964(3) 0.8145(2) 0.0361(8) Uani 1 1 d . . . . .
H37 H 0.133141 0.498176 0.782323 0.043 Uiso 1 1 calc R U . . .
C5 C 0.1146(4) 0.5919(3) 0.88360(19) 0.0315(7) Uani 1 1 d . . . . .
C26 C 0.2224(4) 0.9962(3) 0.59481(18) 0.0364(8) Uani 1 1 d . . . . .
H26 H 0.118716 0.958432 0.594031 0.044 Uiso 1 1 calc R U . . .
C27 C 0.2338(5) 1.0596(3) 0.5493(2) 0.0424(9) Uani 1 1 d . . . . .
H27 H 0.138934 1.064999 0.518252 0.051 Uiso 1 1 calc R U . . .
C43 C 0.6774(4) 1.0420(3) 0.6954(2) 0.0391(8) Uani 1 1 d . . . . .
H43 H 0.655877 0.978036 0.709628 0.047 Uiso 1 1 calc R U . . .
C46 C 0.2612(4) 0.7140(3) 0.5549(2) 0.0409(9) Uani 1 1 d . . . . .
H46 H 0.346466 0.778731 0.573539 0.049 Uiso 1 1 calc R U . . .
C4 C 0.0236(4) 0.6083(3) 0.9388(2) 0.0373(8) Uani 1 1 d . . . . .
H4 H -0.074810 0.560765 0.932514 0.045 Uiso 1 1 calc R U . . .
C2 C 0.2226(4) 0.7616(3) 1.01330(19) 0.0363(8) Uani 1 1 d . . . . .
H2 H 0.258897 0.818555 1.056611 0.044 Uiso 1 1 calc R U . . .
C11 C 0.4871(4) 0.3544(3) 0.7869(2) 0.0406(9) Uani 1 1 d . . . . .
H11 H 0.469804 0.292934 0.747760 0.049 Uiso 1 1 calc R U . . .
C9 C 0.5892(4) 0.4493(3) 0.9179(2) 0.0365(8) Uani 1 1 d . . . . .
H9 H 0.640894 0.452713 0.966544 0.044 Uiso 1 1 calc R U . . .
C29 C 0.5273(4) 1.1075(3) 0.5963(2) 0.0406(9) Uani 1 1 d . . . . .
H29 H 0.629913 1.145822 0.596334 0.049 Uiso 1 1 calc R U . . .
C3 C 0.0742(4) 0.6928(3) 1.0030(2) 0.0392(8) Uani 1 1 d . . . . .
H3 H 0.009324 0.703364 1.038696 0.047 Uiso 1 1 calc R U . . .
C10 C 0.5626(4) 0.3586(3) 0.8586(2) 0.0401(9) Uani 1 1 d . . . . .
H10 H 0.596012 0.300476 0.867348 0.048 Uiso 1 1 calc R U . . .
C32 C 0.0091(4) 0.8219(3) 0.6966(2) 0.0427(9) Uani 1 1 d . . . . .
H32 H 0.022780 0.876294 0.740558 0.051 Uiso 1 1 calc R U . . .
C28 C 0.3879(5) 1.1148(3) 0.5504(2) 0.0455(9) Uani 1 1 d . . . . .
H28 H 0.397096 1.157507 0.519569 0.055 Uiso 1 1 calc R U . . .
C44 C 0.7211(5) 1.1324(3) 0.7676(2) 0.0467(9) Uani 1 1 d . . . . .
H44A H 0.819296 1.127717 0.800039 0.070 Uiso 1 1 calc R U . . .
H44B H 0.630747 1.130087 0.792957 0.070 Uiso 1 1 calc R U . . .
H44C H 0.741049 1.196632 0.755621 0.070 Uiso 1 1 calc R U . . .
C35 C -0.0317(5) 0.6605(3) 0.5678(2) 0.0513(11) Uani 1 1 d . . . . .
H35 H -0.046182 0.605192 0.524279 0.062 Uiso 1 1 calc R U . . .
C40 C 0.3567(4) 0.4299(3) 0.6896(2) 0.0412(9) Uani 1 1 d . . . . .
H40 H 0.311483 0.491688 0.689910 0.049 Uiso 1 1 calc R U . . .
C48 C 0.2065(5) 0.6893(4) 0.4697(2) 0.0565(11) Uani 1 1 d . . . . .
H48A H 0.131819 0.622399 0.449225 0.085 Uiso 1 1 calc R U . . .
H48B H 0.302042 0.688812 0.447737 0.085 Uiso 1 1 calc R U . . .
H48C H 0.151104 0.741279 0.458359 0.085 Uiso 1 1 calc R U . . .
C33 C -0.1420(5) 0.7509(3) 0.6684(2) 0.0555(11) Uani 1 1 d . . . . .
H33 H -0.228777 0.758020 0.693084 0.067 Uiso 1 1 calc R U . . .
C39 C -0.1144(5) 0.4956(3) 0.7681(2) 0.0493(10) Uani 1 1 d . . . . .
H39A H -0.195473 0.496067 0.798693 0.074 Uiso 1 1 calc R U . . .
H39B H -0.147953 0.434146 0.725290 0.074 Uiso 1 1 calc R U . . .
H39C H -0.105592 0.555968 0.751047 0.074 Uiso 1 1 calc R U . . .
C38 C 0.0490(5) 0.3975(3) 0.8382(3) 0.0519(10) Uani 1 1 d . . . . .
H38A H 0.155096 0.401748 0.869079 0.078 Uiso 1 1 calc R U . . .
H38B H 0.025071 0.338271 0.793994 0.078 Uiso 1 1 calc R U . . .
H38C H -0.035451 0.390446 0.866417 0.078 Uiso 1 1 calc R U . . .
C47 C 0.3384(6) 0.6296(4) 0.5749(3) 0.0615(12) Uani 1 1 d . . . . .
H47A H 0.378088 0.648676 0.628662 0.092 Uiso 1 1 calc R U . . .
H47B H 0.429470 0.621043 0.550599 0.092 Uiso 1 1 calc R U . . .
H47C H 0.256566 0.565407 0.558123 0.092 Uiso 1 1 calc R U . . .
C34 C -0.1627(5) 0.6697(4) 0.6036(2) 0.0617(13) Uani 1 1 d . . . . .
H34 H -0.263488 0.621642 0.584017 0.074 Uiso 1 1 calc R U . . .
C41 C 0.2141(5) 0.3350(3) 0.6543(2) 0.0584(11) Uani 1 1 d . . . . .
H41A H 0.166761 0.332660 0.603622 0.088 Uiso 1 1 calc R U . . .
H41B H 0.130680 0.339135 0.683611 0.088 Uiso 1 1 calc R U . . .
H41C H 0.255148 0.273211 0.653352 0.088 Uiso 1 1 calc R U . . .
C45 C 0.8264(5) 1.0403(4) 0.6591(3) 0.0671(13) Uani 1 1 d . . . . .
H45A H 0.852261 1.102776 0.645313 0.101 Uiso 1 1 calc R U . . .
H45B H 0.800905 0.981158 0.614782 0.101 Uiso 1 1 calc R U . . .
H45C H 0.920124 1.035918 0.694352 0.101 Uiso 1 1 calc R U . . .
C42 C 0.4867(5) 0.4277(4) 0.6425(2) 0.0557(11) Uani 1 1 d . . . . .
H42A H 0.539244 0.370870 0.644543 0.084 Uiso 1 1 calc R U . . .
H42B H 0.568631 0.491828 0.662024 0.084 Uiso 1 1 calc R U . . .
H42C H 0.434769 0.418902 0.591057 0.084 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
P1 C13 1.827(3) . ?
P1 C6 1.848(3) . ?
P1 C7 1.854(3) . ?
P2 C24 1.839(3) . ?
P2 C31 1.846(3) . ?
P2 C25 1.848(3) . ?
O1 C18 1.386(4) . ?
O1 C19 1.390(4) . ?
C18 C13 1.403(4) . ?
C18 C17 1.380(4) . ?
C19 C24 1.396(4) . ?
C19 C20 1.388(4) . ?
C24 C23 1.383(4) . ?
C13 C14 1.389(4) . ?
C17 H17 0.9300 . ?
C17 C16 1.387(5) . ?
C21 H21 0.9300 . ?
C21 C20 1.383(5) . ?
C21 C22 1.382(5) . ?
C23 H23 0.9300 . ?
C23 C22 1.401(5) . ?
C14 H14 0.9300 . ?
C14 C15 1.384(5) . ?
C20 H20 0.9300 . ?
C30 C25 1.408(4) . ?
C30 C43 1.516(5) . ?
C30 C29 1.393(5) . ?
C8 H8 0.9300 . ?
C8 C7 1.393(5) . ?
C8 C9 1.379(5) . ?
C22 H22 0.9300 . ?
C6 C1 1.390(5) . ?
C6 C5 1.405(4) . ?
C31 C36 1.411(5) . ?
C31 C32 1.386(5) . ?
C16 H16 0.9300 . ?
C16 C15 1.386(5) . ?
C7 C12 1.399(5) . ?
C25 C26 1.387(5) . ?
C15 H15 0.9300 . ?
C36 C46 1.520(5) . ?
C36 C35 1.380(5) . ?
C1 H1 0.9300 . ?
C1 C2 1.380(5) . ?
C12 C11 1.400(5) . ?
C12 C40 1.523(5) . ?
C37 H37 0.9800 . ?
C37 C5 1.522(5) . ?
C37 C39 1.517(5) . ?
C37 C38 1.531(5) . ?
C5 C4 1.382(5) . ?
C26 H26 0.9300 . ?
C26 C27 1.375(5) . ?
C27 H27 0.9300 . ?
C27 C28 1.377(5) . ?
C43 H43 0.9800 . ?
C43 C44 1.517(5) . ?
C43 C45 1.519(5) . ?
C46 H46 0.9800 . ?
C46 C48 1.520(5) . ?
C46 C47 1.513(6) . ?
C4 H4 0.9300 . ?
C4 C3 1.379(5) . ?
C2 H2 0.9300 . ?
C2 C3 1.379(5) . ?
C11 H11 0.9300 . ?
C11 C10 1.374(5) . ?
C9 H9 0.9300 . ?
C9 C10 1.388(5) . ?
C29 H29 0.9300 . ?
C29 C28 1.366(6) . ?
C3 H3 0.9300 . ?
C10 H10 0.9300 . ?
C32 H32 0.9300 . ?
C32 C33 1.386(5) . ?
C28 H28 0.9300 . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C35 H35 0.9300 . ?
C35 C34 1.385(6) . ?
C40 H40 0.9800 . ?
C40 C41 1.523(6) . ?
C40 C42 1.514(5) . ?
C48 H48A 0.9600 . ?
C48 H48B 0.9600 . ?
C48 H48C 0.9600 . ?
C33 H33 0.9300 . ?
C33 C34 1.378(6) . ?
C39 H39A 0.9600 . ?
C39 H39B 0.9600 . ?
C39 H39C 0.9600 . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
C47 H47A 0.9600 . ?
C47 H47B 0.9600 . ?
C47 H47C 0.9600 . ?
C34 H34 0.9300 . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C41 H41C 0.9600 . ?
C45 H45A 0.9600 . ?
C45 H45B 0.9600 . ?
C45 H45C 0.9600 . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?

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
C13 P1 C6 104.17(14) . . ?
C13 P1 C7 102.55(14) . . ?
C6 P1 C7 98.53(14) . . ?
C24 P2 C31 101.28(14) . . ?
C24 P2 C25 100.45(14) . . ?
C31 P2 C25 103.78(15) . . ?
C18 O1 C19 118.5(2) . . ?
O1 C18 C13 114.6(3) . . ?
C17 C18 O1 123.5(3) . . ?
C17 C18 C13 121.9(3) . . ?
O1 C19 C24 118.8(3) . . ?
C20 C19 O1 118.7(3) . . ?
C20 C19 C24 122.3(3) . . ?
C19 C24 P2 116.0(2) . . ?
C23 C24 P2 126.5(2) . . ?
C23 C24 C19 117.5(3) . . ?
C18 C13 P1 117.5(2) . . ?
C14 C13 P1 124.9(2) . . ?
C14 C13 C18 116.9(3) . . ?
C18 C17 H17 120.2 . . ?
C18 C17 C16 119.7(3) . . ?
C16 C17 H17 120.2 . . ?
C20 C21 H21 120.0 . . ?
C22 C21 H21 120.0 . . ?
C22 C21 C20 120.1(3) . . ?
C24 C23 H23 119.5 . . ?
C24 C23 C22 121.0(3) . . ?
C22 C23 H23 119.5 . . ?
C13 C14 H14 118.9 . . ?
C15 C14 C13 122.1(3) . . ?
C15 C14 H14 118.9 . . ?
C19 C20 H20 120.5 . . ?
C21 C20 C19 119.0(3) . . ?
C21 C20 H20 120.5 . . ?
C25 C30 C43 122.8(3) . . ?
C29 C30 C25 117.5(3) . . ?
C29 C30 C43 119.7(3) . . ?
C7 C8 H8 119.2 . . ?
C9 C8 H8 119.2 . . ?
C9 C8 C7 121.5(3) . . ?
C21 C22 C23 120.1(3) . . ?
C21 C22 H22 120.0 . . ?
C23 C22 H22 120.0 . . ?
C1 C6 P1 123.3(2) . . ?
C1 C6 C5 118.7(3) . . ?
C5 C6 P1 117.9(2) . . ?
C36 C31 P2 118.2(2) . . ?
C32 C31 P2 122.5(3) . . ?
C32 C31 C36 118.9(3) . . ?
C17 C16 H16 120.1 . . ?
C15 C16 C17 119.8(3) . . ?
C15 C16 H16 120.1 . . ?
C8 C7 P1 119.7(2) . . ?
C8 C7 C12 119.8(3) . . ?
C12 C7 P1 120.2(3) . . ?
C30 C25 P2 118.6(3) . . ?
C26 C25 P2 121.6(2) . . ?
C26 C25 C30 119.8(3) . . ?
C14 C15 C16 119.6(3) . . ?
C14 C15 H15 120.2 . . ?
C16 C15 H15 120.2 . . ?
C31 C36 C46 121.6(3) . . ?
C35 C36 C31 118.4(3) . . ?
C35 C36 C46 120.0(3) . . ?
C6 C1 H1 119.5 . . ?
C2 C1 C6 121.1(3) . . ?
C2 C1 H1 119.5 . . ?
C7 C12 C40 123.6(3) . . ?
C11 C12 C7 117.8(3) . . ?
C11 C12 C40 118.6(3) . . ?
C5 C37 H37 107.4 . . ?
C5 C37 C38 110.1(3) . . ?
C39 C37 H37 107.4 . . ?
C39 C37 C5 112.6(3) . . ?
C39 C37 C38 111.6(3) . . ?
C38 C37 H37 107.4 . . ?
C6 C5 C37 121.7(3) . . ?
C4 C5 C6 119.0(3) . . ?
C4 C5 C37 119.3(3) . . ?
C25 C26 H26 119.3 . . ?
C27 C26 C25 121.4(3) . . ?
C27 C26 H26 119.3 . . ?
C26 C27 H27 120.5 . . ?
C26 C27 C28 119.0(3) . . ?
C28 C27 H27 120.5 . . ?
C30 C43 H43 107.3 . . ?
C30 C43 C44 111.5(3) . . ?
C30 C43 C45 113.8(3) . . ?
C44 C43 H43 107.3 . . ?
C44 C43 C45 109.3(3) . . ?
C45 C43 H43 107.3 . . ?
C36 C46 H46 107.8 . . ?
C48 C46 C36 112.3(3) . . ?
C48 C46 H46 107.8 . . ?
C47 C46 C36 110.2(3) . . ?
C47 C46 H46 107.8 . . ?
C47 C46 C48 110.9(3) . . ?
C5 C4 H4 119.0 . . ?
C3 C4 C5 122.0(3) . . ?
C3 C4 H4 119.0 . . ?
C1 C2 H2 119.9 . . ?
C3 C2 C1 120.2(3) . . ?
C3 C2 H2 119.9 . . ?
C12 C11 H11 119.1 . . ?
C10 C11 C12 121.9(3) . . ?
C10 C11 H11 119.1 . . ?
C8 C9 H9 120.6 . . ?
C8 C9 C10 118.9(3) . . ?
C10 C9 H9 120.6 . . ?
C30 C29 H29 119.1 . . ?
C28 C29 C30 121.8(3) . . ?
C28 C29 H29 119.1 . . ?
C4 C3 C2 119.0(3) . . ?
C4 C3 H3 120.5 . . ?
C2 C3 H3 120.5 . . ?
C11 C10 C9 120.2(3) . . ?
C11 C10 H10 119.9 . . ?
C9 C10 H10 119.9 . . ?
C31 C32 H32 119.2 . . ?
C31 C32 C33 121.6(4) . . ?
C33 C32 H32 119.2 . . ?
C27 C28 H28 119.7 . . ?
C29 C28 C27 120.6(4) . . ?
C29 C28 H28 119.7 . . ?
C43 C44 H44A 109.5 . . ?
C43 C44 H44B 109.5 . . ?
C43 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C36 C35 H35 118.9 . . ?
C36 C35 C34 122.2(4) . . ?
C34 C35 H35 118.9 . . ?
C12 C40 H40 107.8 . . ?
C41 C40 C12 112.4(3) . . ?
C41 C40 H40 107.8 . . ?
C42 C40 C12 110.3(3) . . ?
C42 C40 H40 107.8 . . ?
C42 C40 C41 110.6(3) . . ?
C46 C48 H48A 109.5 . . ?
C46 C48 H48B 109.5 . . ?
C46 C48 H48C 109.5 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C32 C33 H33 120.3 . . ?
C34 C33 C32 119.5(3) . . ?
C34 C33 H33 120.3 . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C46 C47 H47A 109.5 . . ?
C46 C47 H47B 109.5 . . ?
C46 C47 H47C 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C35 C34 H34 120.3 . . ?
C33 C34 C35 119.3(3) . . ?
C33 C34 H34 120.3 . . ?
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 . . ?
C43 C45 H45A 109.5 . . ?
C43 C45 H45B 109.5 . . ?
C43 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C40 C42 H42A 109.5 . . ?
C40 C42 H42B 109.5 . . ?
C40 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
P1 C13 C14 C15 171.2(2) . . . . ?
P1 C6 C1 C2 175.2(3) . . . . ?
P1 C6 C5 C37 5.3(4) . . . . ?
P1 C6 C5 C4 -176.5(3) . . . . ?
P1 C7 C12 C11 -173.4(2) . . . . ?
P1 C7 C12 C40 7.9(4) . . . . ?
P2 C24 C23 C22 179.8(2) . . . . ?
P2 C31 C36 C46 -2.8(5) . . . . ?
P2 C31 C36 C35 174.3(3) . . . . ?
P2 C31 C32 C33 -174.4(3) . . . . ?
P2 C25 C26 C27 -178.4(3) . . . . ?
O1 C18 C13 P1 7.9(3) . . . . ?
O1 C18 C13 C14 179.1(2) . . . . ?
O1 C18 C17 C16 -179.4(3) . . . . ?
O1 C19 C24 P2 -4.0(3) . . . . ?
O1 C19 C24 C23 176.8(2) . . . . ?
O1 C19 C20 C21 -176.0(3) . . . . ?
C18 O1 C19 C24 90.2(3) . . . . ?
C18 O1 C19 C20 -94.9(3) . . . . ?
C18 C13 C14 C15 0.8(4) . . . . ?
C18 C17 C16 C15 -0.2(5) . . . . ?
C19 O1 C18 C13 179.3(2) . . . . ?
C19 O1 C18 C17 -0.4(4) . . . . ?
C19 C24 C23 C22 -1.1(4) . . . . ?
C24 P2 C31 C36 -176.7(3) . . . . ?
C24 P2 C31 C32 -3.1(3) . . . . ?
C24 P2 C25 C30 92.9(3) . . . . ?
C24 P2 C25 C26 -88.9(3) . . . . ?
C24 C19 C20 C21 -1.3(4) . . . . ?
C24 C23 C22 C21 -0.6(5) . . . . ?
C13 P1 C6 C1 2.6(3) . . . . ?
C13 P1 C6 C5 179.5(2) . . . . ?
C13 P1 C7 C8 60.3(3) . . . . ?
C13 P1 C7 C12 -126.7(2) . . . . ?
C13 C18 C17 C16 0.9(4) . . . . ?
C13 C14 C15 C16 -0.1(5) . . . . ?
C17 C18 C13 P1 -172.4(2) . . . . ?
C17 C18 C13 C14 -1.2(4) . . . . ?
C17 C16 C15 C14 -0.2(5) . . . . ?
C20 C19 C24 P2 -178.7(2) . . . . ?
C20 C19 C24 C23 2.1(4) . . . . ?
C20 C21 C22 C23 1.4(5) . . . . ?
C30 C25 C26 C27 -0.3(5) . . . . ?
C30 C29 C28 C27 0.3(6) . . . . ?
C8 C7 C12 C11 -0.3(4) . . . . ?
C8 C7 C12 C40 -179.1(3) . . . . ?
C8 C9 C10 C11 0.4(5) . . . . ?
C22 C21 C20 C19 -0.5(4) . . . . ?
C6 P1 C13 C18 -69.5(2) . . . . ?
C6 P1 C13 C14 120.2(3) . . . . ?
C6 P1 C7 C8 -46.4(3) . . . . ?
C6 P1 C7 C12 126.7(3) . . . . ?
C6 C1 C2 C3 1.0(5) . . . . ?
C6 C5 C4 C3 1.1(5) . . . . ?
C31 P2 C24 C19 88.1(2) . . . . ?
C31 P2 C24 C23 -92.8(3) . . . . ?
C31 P2 C25 C30 -162.6(2) . . . . ?
C31 P2 C25 C26 15.5(3) . . . . ?
C31 C36 C46 C48 -135.3(4) . . . . ?
C31 C36 C46 C47 100.6(4) . . . . ?
C31 C36 C35 C34 0.2(6) . . . . ?
C31 C32 C33 C34 0.5(7) . . . . ?
C7 P1 C13 C18 -171.8(2) . . . . ?
C7 P1 C13 C14 17.9(3) . . . . ?
C7 P1 C6 C1 107.9(3) . . . . ?
C7 P1 C6 C5 -75.1(3) . . . . ?
C7 C8 C9 C10 -1.1(5) . . . . ?
C7 C12 C11 C10 -0.3(5) . . . . ?
C7 C12 C40 C41 -129.2(3) . . . . ?
C7 C12 C40 C42 106.8(4) . . . . ?
C25 P2 C24 C19 -165.4(2) . . . . ?
C25 P2 C24 C23 13.7(3) . . . . ?
C25 P2 C31 C36 79.5(3) . . . . ?
C25 P2 C31 C32 -106.9(3) . . . . ?
C25 C30 C43 C44 -95.0(4) . . . . ?
C25 C30 C43 C45 140.7(4) . . . . ?
C25 C30 C29 C28 -0.2(5) . . . . ?
C25 C26 C27 C28 0.4(5) . . . . ?
C36 C31 C32 C33 -0.8(6) . . . . ?
C36 C35 C34 C33 -0.5(7) . . . . ?
C1 C6 C5 C37 -177.6(3) . . . . ?
C1 C6 C5 C4 0.7(5) . . . . ?
C1 C2 C3 C4 0.8(5) . . . . ?
C12 C11 C10 C9 0.3(5) . . . . ?
C37 C5 C4 C3 179.4(3) . . . . ?
C5 C6 C1 C2 -1.7(5) . . . . ?
C5 C4 C3 C2 -1.9(5) . . . . ?
C26 C27 C28 C29 -0.4(6) . . . . ?
C43 C30 C25 P2 -4.3(4) . . . . ?
C43 C30 C25 C26 177.5(3) . . . . ?
C43 C30 C29 C28 -177.6(3) . . . . ?
C46 C36 C35 C34 177.4(4) . . . . ?
C11 C12 C40 C41 52.0(4) . . . . ?
C11 C12 C40 C42 -71.9(4) . . . . ?
C9 C8 C7 P1 174.1(2) . . . . ?
C9 C8 C7 C12 1.0(5) . . . . ?
C29 C30 C25 P2 178.3(2) . . . . ?
C29 C30 C25 C26 0.2(5) . . . . ?
C29 C30 C43 C44 82.3(4) . . . . ?
C29 C30 C43 C45 -42.0(5) . . . . ?
C32 C31 C36 C46 -176.7(3) . . . . ?
C32 C31 C36 C35 0.4(5) . . . . ?
C32 C33 C34 C35 0.1(7) . . . . ?
C35 C36 C46 C48 47.7(5) . . . . ?
C35 C36 C46 C47 -76.5(5) . . . . ?
C40 C12 C11 C10 178.5(3) . . . . ?
C39 C37 C5 C6 -119.6(4) . . . . ?
C39 C37 C5 C4 62.2(4) . . . . ?
C38 C37 C5 C6 115.1(3) . . . . ?
C38 C37 C5 C4 -63.1(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;

loop_
_publcif_info_exptl_table_extra_item
sin_theta_over_lambda_max

loop_
_publcif_info_exptl_table_header_item
?



_publcif_funding_html            
;
;
####################################################################### 
# 
# 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-OMe
_database_code_depnum_ccdc_archive 'CCDC 2064128'
loop_
_audit_author_name
_audit_author_address
'Timothy M. Boyd'
;University of Oxford
United Kingdom
;

_audit_update_record             
;
2021-02-21 deposited with the CCDC.	2021-05-25 downloaded from the CCDC.
;
_publcif_datablock.id            {cf3239ef-8c7f-4f04-af36-c589c47da90e}
_audit_creation_date             2020-09-18
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C47 H44 O5 P2 Rh, C32 H12 B F24'
_chemical_formula_sum            'C79 H56 B F24 O5 P2 Rh'
_chemical_formula_weight         1716.89
_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'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.9929(4)
_cell_length_b                   16.2926(6)
_cell_length_c                   17.9735(6)
_cell_angle_alpha                82.461(3)
_cell_angle_beta                 84.317(3)
_cell_angle_gamma                84.684(3)
_cell_volume                     3741.1(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    18461
_cell_measurement_temperature    150.01(10)
_cell_measurement_theta_max      76.5410
_cell_measurement_theta_min      2.4820
_shelx_estimated_absorpt_T_max   0.625
_shelx_estimated_absorpt_T_min   0.535
_exptl_absorpt_coefficient_mu    3.246
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.87845
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.524
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             1732
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_exptl_special_details           ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0252
_diffrn_reflns_av_unetI/netI     0.0325
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            34319
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.600
_diffrn_reflns_theta_min         2.489
_diffrn_ambient_temperature      150.15
_diffrn_detector_area_resol_mean 10.5035
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω      2.00  41.00   1.00    1.00    --    0.00 -99.00 -30.00   39
  2  ω     39.00  91.00   1.00    1.00    --    0.00  57.00 120.00   52
  3  ω    -42.00  29.00   1.00    1.00    --    0.00  57.00 120.00   71
  4  ω     10.00  38.00   1.00    1.00    --    0.00 -99.00 -90.00   28
  5  ω    -83.00 -26.00   1.00    4.00    --  -60.50 125.00 150.00   57
  6  ω    107.00 142.00   1.00    4.00    --   60.50 125.00-180.00   35
  7  ω    116.00 151.00   1.00    4.00    --   60.50 125.00-150.00   35
  8  ω    113.00 150.00   1.00    4.00    --   60.50 125.00 -90.00   37
  9  ω     58.00 117.00   1.00    4.00    --   60.50-125.00  30.00   59
 10  ω    -20.00  96.00   1.00    4.00    --   60.50 -45.00 -90.00  116
 11  ω    115.00 152.00   1.00    4.00    --   60.50 125.00  30.00   37
 12  ω    -28.00 156.00   1.00    4.00    --   60.50 -15.00  30.00  184
 13  ω     95.00 129.00   1.00    4.00    --   60.50 125.00   0.00   34
 14  ω     30.00 112.00   1.00   12.00    --  121.00-111.00  90.00   82
 15  ω     33.00  85.00   1.00   12.00    --  121.00-111.00 120.00   52
 16  ω    134.00 176.00   1.00   12.00    --  121.00  37.00   0.00   42
 17  ω     25.00 137.00   1.00   12.00    --  121.00 -91.00-120.00  112
 18  ω     74.00 110.00   1.00   12.00    --  121.00  37.00   0.00   36
 19  ω     35.00 105.00   1.00   12.00    --  121.00 -50.00-150.00   70
 20  ω    110.00 177.00   1.00   12.00    --  121.00  37.00 -60.00   67
 21  ω     35.00 111.00   1.00   12.00    --  121.00-111.00   0.00   76
 22  ω    146.00 172.00   1.00   12.00    --  121.00  63.00-150.00   26
 23  ω     57.00  88.00   1.00   12.00    --  121.00-111.00-180.00   31
 24  ω     70.00 111.00   1.00   12.00    --  121.00-111.00-120.00   41
 25  ω    120.00 150.00   1.00   12.00    --  121.00 178.00 150.00   30
 26  ω     52.00  80.00   1.00   12.00    --  121.00 -25.00 -30.00   28
 27  ω    108.00 164.00   1.00   12.00    --  121.00  37.00-120.00   56
 28  ω    109.00 171.00   1.00   12.00    --  121.00  63.00 -30.00   62
 29  ω     62.00  87.00   1.00   12.00    --  121.00 178.00 150.00   25
 30  ω     74.00 101.00   1.00   12.00    --  121.00 178.00 120.00   27
 31  ω     68.00  99.00   1.00   12.00    --  121.00 -63.00-120.00   31
 32  ω     45.00  76.00   1.00   12.00    --  121.00 -37.00  90.00   31
 33  ω    100.00 153.00   1.00   12.00    --  121.00 111.00  60.00   53
 34  ω    116.00 142.00   1.00   12.00    --  121.00 178.00 120.00   26
 35  ω    120.00 164.00   1.00   12.00    --  121.00 -63.00-120.00   44
 36  ω     29.00 112.00   1.00   12.00    --  121.00-111.00 150.00   83
 37  ω    104.00 175.00   1.00   12.00    --  121.00  50.00 -90.00   71
 38  ω     80.00 111.00   1.00   12.00    --  121.00  63.00-150.00   31
 39  ω     30.00  88.00   1.00   12.00    --  121.00 -50.00 -30.00   58
 40  ω     29.00 112.00   1.00   12.00    --  121.00-106.00-160.05   83
 41  ω    -87.00 -70.00   1.00    4.00    --  -60.50  15.00 -13.00   17
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                14494
_reflns_number_total             15530
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         0.721
_refine_diff_density_min         -0.486
_refine_diff_density_rms         0.063
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1304
_refine_ls_number_reflns         15530
_refine_ls_number_restraints     1441
_refine_ls_R_factor_all          0.0435
_refine_ls_R_factor_gt           0.0409
_refine_ls_restrained_S_all      1.105
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0634P)²+2.3767P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1092
_refine_ls_wR_factor_ref         0.1115
_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
2. Restrained distances
 F13-F14 \\sim F13-F15 \\sim F14-F15 \\sim F13A-F14A \\sim F13A-F15A \\sim
F14A-F15A
 with sigma of 0.04
 C54-F13 \\sim C54-F14 \\sim C54-F15 \\sim C54-F13A \\sim C54-F14A \\sim
C54-F15A
 with sigma of 0.02
 F2-F3 \\sim F2-F1 \\sim F3A-F2A \\sim F3A-F1A \\sim F2A-F1A \\sim F3-F1
 with sigma of 0.04
 C78-F2 \\sim C78-F3A \\sim C78-F2A \\sim C78-F3 \\sim C78-F1A \\sim C78-F1
 with sigma of 0.02
 F4-F5 \\sim F4-F6 \\sim F4A-F5A \\sim F4A-F6A \\sim F5-F6 \\sim F5A-F6A
 with sigma of 0.04
 C75-F4 \\sim C75-F4A \\sim C75-F5 \\sim C75-F5A \\sim C75-F6A \\sim C75-F6
 with sigma of 0.02
 F12-F10 \\sim F12-F11 \\sim F12A-F10A \\sim F12A-F11A \\sim F10-F11 \\sim
F10A-F11A
 with sigma of 0.04
 C59-F12 \\sim C59-F12A \\sim C59-F10 \\sim C59-F10A \\sim C59-F11 \\sim
C59-F11A
 with sigma of 0.02
 F8A-F7A \\sim F8A-F9A \\sim F8-F7 \\sim F8-F9 \\sim F7-F9 \\sim F7A-F9A
 with sigma of 0.04
 C62-F8A \\sim C62-F8 \\sim C62-F7 \\sim C62-F7A \\sim C62-F9 \\sim C62-F9A
 with sigma of 0.02
 O2A-C5A \\sim O2-C5
 with sigma of 0.02
 O2A-C44A \\sim O2-C44
 with sigma of 0.02
 O1-C18 \\sim O1-C18A
 with sigma of 0.02
 C17-C18 \\sim C17A-C18A \\sim C17-C16 \\sim C17A-C16A \\sim C16-C15 \\sim
C16A-C15A \\sim C15-C14 ~
 C15A-C14A \\sim C14-C13 \\sim C13-C18
 with sigma of 0.02
 O5A-C46A \\sim O5-C46
 with sigma of 0.02
 O5-C30 \\sim O5A-C30
 with sigma of 0.02
 O3A-C12 \\sim O3-C12
 with sigma of 0.02
 O3A-C45A \\sim O3-C45
 with sigma of 0.02
 C1A-C2A \\sim C2A-C3A \\sim C2-C3 \\sim C1-C2 \\sim C1-C6 \\sim C5-C6 \\sim
C4A-C5A \\sim C4-C5 \\sim C3A-C4A
 \\sim C3-C4
 with sigma of 0.02
 C5-C6 \\sim C5A-C6 \\sim C1-C6 \\sim C1A-C6
 with sigma of 0.02
 C14-C13 \\sim C14A-C13 \\sim C13-C18 \\sim C13-C18A
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
F13 \\sim F13A \\sim F14 \\sim F14A \\sim F15 \\sim F15A \\sim C54: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.01 within 2A
F1 \\sim F1A \\sim F2 \\sim F2A \\sim F3 \\sim F3A \\sim C78: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.01 within 2A
F4 \\sim F4A \\sim F5 \\sim F5A \\sim F6 \\sim F6A \\sim C75: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.01 within 2A
F10 \\sim F10A \\sim F11 \\sim F11A \\sim F12 \\sim F12A \\sim C59: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.01 within 2A
F7 \\sim F7A \\sim F8 \\sim F8A \\sim F9 \\sim F9A \\sim C62: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.01 within 2A
C18 \\sim C13 \\sim C14 \\sim C15 \\sim C16 \\sim C17 \\sim C18A \\sim C14A
\\sim C15A \\sim C16A \\sim C17A: within 2A with sigma of 0.01 and sigma for
terminal atoms of 0.01 within 2A
O5 \\sim C46 \\sim O5A \\sim C46A: within 2A with sigma of 0.01 and sigma for
terminal atoms of 0.01 within 2A
O3A \\sim C45A \\sim O3 \\sim C45: within 2A with sigma of 0.01 and sigma for
terminal atoms of 0.01 within 2A
O2 \\sim C6 \\sim C5 \\sim C4 \\sim C3 \\sim C2 \\sim C1 \\sim C44 \\sim O2A
\\sim C5A \\sim C4A \\sim C3A \\sim C2A \\sim C1A \\sim C44A: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.01 within 2A
4. Rigid body (RIGU) restrains
 F13, F13A, F14, F14A, F15, F15A, C54
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 F1, F1A, F2, F2A, F3, F3A, C78
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 F4, F4A, F5, F5A, F6, F6A, C75
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 F10, F10A, F11, F11A, F12, F12A, C59
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 F7, F7A, F8, F8A, F9, F9A, C62
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C18, C13, C14, C15, C16, C17, C18A, C14A, C15A, C16A, C17A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 O5, C46, O5A, C46A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 O3A, C45A, O3, C45
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 O2, C6, C5, C4, C3, C2, C1, C44, O2A, C5A, C4A, C3A, C2A, C1A, C44A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Sof(F13A)=Sof(F14A)=Sof(F15A)=1-FVAR(1)
 Sof(F13)=Sof(F14)=Sof(F15)=FVAR(1)
 Sof(F1A)=Sof(F2A)=Sof(F3A)=1-FVAR(2)
 Sof(F1)=Sof(F2)=Sof(F3)=FVAR(2)
 Sof(F4A)=Sof(F5A)=Sof(F6A)=1-FVAR(3)
 Sof(F4)=Sof(F5)=Sof(F6)=FVAR(3)
 Sof(F10A)=Sof(F11A)=Sof(F12A)=1-FVAR(4)
 Sof(F10)=Sof(F11)=Sof(F12)=FVAR(4)
 Sof(F7A)=Sof(F8A)=Sof(F9A)=1-FVAR(5)
 Sof(F7)=Sof(F8)=Sof(F9)=FVAR(5)
 Sof(O2A)=Sof(C5A)=Sof(C4A)=Sof(H4A)=Sof(C3A)=Sof(H3A)=Sof(C2A)=Sof(H2A)=
 Sof(C1A)=Sof(H1A)=Sof(C44A)=Sof(H44D)=Sof(H44E)=Sof(H44F)=1-FVAR(6)
 Sof(O2)=Sof(C5)=Sof(C4)=Sof(H4)=Sof(C3)=Sof(H3)=Sof(C2)=Sof(H2)=Sof(C1)=
 Sof(H1)=Sof(C44)=Sof(H44A)=Sof(H44B)=Sof(H44C)=FVAR(6)
 Sof(C18A)=Sof(C14A)=Sof(H14A)=Sof(C15A)=Sof(H15A)=Sof(C16A)=Sof(H16A)=
 Sof(C17A)=Sof(H17A)=1-FVAR(7)
 Sof(C18)=Sof(C14)=Sof(H14)=Sof(C15)=Sof(H15)=Sof(C16)=Sof(H16)=Sof(C17)=
 Sof(H17)=FVAR(7)
 Sof(O5A)=Sof(C46A)=Sof(H46D)=Sof(H46E)=Sof(H46F)=1-FVAR(8)
 Sof(O5)=Sof(C46)=Sof(H46A)=Sof(H46B)=Sof(H46C)=FVAR(8)
 Sof(O3A)=Sof(C45A)=Sof(H45A)=Sof(H45B)=Sof(H45C)=1-FVAR(9)
 Sof(O3)=Sof(C45)=Sof(H45D)=Sof(H45E)=Sof(H45F)=FVAR(9)
6.a Ternary CH refined with riding coordinates:
 C37(H37), C38(H38), C39(H39), C40(H40), C41(H41), C42(H42)
6.b Secondary CH2 refined with riding coordinates:
 C43(H43A,H43B)
6.c Aromatic/amide H refined with riding coordinates:
 C20(H20), C21(H21), C22(H22), C23(H23), C14(H14), C15(H15), C16(H16),
 C17(H17), C4(H4), C3(H3), C2(H2), C1(H1), C11(H11), C10(H10), C9(H9), C8(H8),
 C35(H35), C34(H34), C33(H33), C32(H32), C29(H29), C28(H28), C27(H27), C26(H26),
  C57(H57), C79(H79), C76(H76), C73(H73), C63(H63), C60(H60), C55(H55),
 C52(H52), C49(H49), C71(H71), C68(H68), C65(H65), C4A(H4A), C3A(H3A), C2A(H2A),
  C1A(H1A), C14A(H14A), C15A(H15A), C16A(H16A), C17A(H17A)
6.d Idealised Me refined as rotating group:
 C44(H44A,H44B,H44C), C45A(H45A,H45B,H45C), C47(H47A,H47B,H47C), C46(H46A,H46B,
 H46C), C44A(H44D,H44E,H44F), C46A(H46D,H46E,H46F), C45(H45D,H45E,H45F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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
Rh1 Rh 0.83195(2) 0.31973(2) 0.32877(2) 0.02900(6) Uani 1 1 d . . . . .
P1 P 0.81407(4) 0.23769(4) 0.23118(3) 0.03221(12) Uani 1 1 d . . . . .
P2 P 0.95739(4) 0.40626(4) 0.26972(3) 0.03086(12) Uani 1 1 d . . . . .
O1 O 0.87372(17) 0.39740(13) 0.13489(10) 0.0495(5) Uani 1 1 d D . . . .
O2 O 1.0693(10) 0.5497(8) 0.2038(14) 0.060(2) Uani 0.555(16) 1 d D U P A 1
O3A O 1.1161(14) 0.2869(11) 0.3240(14) 0.073(3) Uani 0.427(18) 1 d D U P B 2
O4 O 0.93707(16) 0.14163(14) 0.34484(12) 0.0533(5) Uani 1 1 d . . . . .
O5 O 0.5926(13) 0.2719(6) 0.2454(19) 0.0551(15) Uani 0.633(18) 1 d D U P C 1
C37 C 0.67919(19) 0.31256(18) 0.39295(15) 0.0426(6) Uani 1 1 d . . . . .
H37 H 0.613389 0.311803 0.368600 0.051 Uiso 1 1 calc R U . . .
C38 C 0.7400(2) 0.24144(17) 0.41563(14) 0.0416(5) Uani 1 1 d . . . . .
H38 H 0.722647 0.184360 0.409343 0.050 Uiso 1 1 calc R U . . .
C39 C 0.7952(2) 0.26090(19) 0.48240(14) 0.0473(6) Uani 1 1 d . . . . .
H39 H 0.825996 0.212654 0.515630 0.057 Uiso 1 1 calc R U . . .
C40 C 0.8693(2) 0.32433(17) 0.44254(13) 0.0394(5) Uani 1 1 d . . . . .
H40 H 0.942075 0.325259 0.455949 0.047 Uiso 1 1 calc R U . . .
C41 C 0.8083(2) 0.39595(17) 0.41966(14) 0.0400(5) Uani 1 1 d . . . . .
H41 H 0.832829 0.452894 0.415407 0.048 Uiso 1 1 calc R U . . .
C42 C 0.6953(2) 0.37689(19) 0.44554(16) 0.0479(6) Uani 1 1 d . . . . .
H42 H 0.642205 0.425235 0.447807 0.057 Uiso 1 1 calc R U . . .
C43 C 0.7114(3) 0.3197(2) 0.51952(16) 0.0580(8) Uani 1 1 d . . . . .
H43A H 0.648577 0.291792 0.540691 0.070 Uiso 1 1 calc R U . . .
H43B H 0.737947 0.348365 0.558096 0.070 Uiso 1 1 calc R U . . .
C24 C 0.7789(2) 0.27834(17) 0.13586(14) 0.0405(5) Uani 1 1 d . . . . .
C19 C 0.8095(2) 0.35336(19) 0.10002(15) 0.0469(6) Uani 1 1 d . . . . .
C20 C 0.7753(3) 0.3894(2) 0.03112(18) 0.0614(8) Uani 1 1 d . . . . .
H20 H 0.796179 0.441966 0.008390 0.074 Uiso 1 1 calc R U . . .
C21 C 0.7099(3) 0.3462(3) -0.00327(19) 0.0659(9) Uani 1 1 d . . . . .
H21 H 0.684762 0.369690 -0.049897 0.079 Uiso 1 1 calc R U . . .
C22 C 0.6814(3) 0.2699(2) 0.02961(18) 0.0600(8) Uani 1 1 d . . . . .
H22 H 0.638599 0.240189 0.004601 0.072 Uiso 1 1 calc R U . . .
C23 C 0.7141(2) 0.2357(2) 0.09866(16) 0.0490(6) Uani 1 1 d . . . . .
H23 H 0.692699 0.183255 0.121101 0.059 Uiso 1 1 calc R U . . .
C18 C 0.9795(7) 0.3853(11) 0.1225(6) 0.0499(19) Uani 0.522(14) 1 d D U P D 1
C13 C 1.0355(2) 0.3857(2) 0.18345(15) 0.0496(6) Uani 1 1 d D U . . .
C14 C 1.1425(7) 0.3855(8) 0.1699(7) 0.058(2) Uani 0.522(14) 1 d D U P D 1
H14 H 1.183933 0.394100 0.208431 0.070 Uiso 0.522(14) 1 calc R U P D 1
C15 C 1.1873(7) 0.3724(8) 0.0988(5) 0.0655(19) Uani 0.522(14) 1 d D U P D 1
H15 H 1.260820 0.367201 0.089991 0.079 Uiso 0.522(14) 1 calc R U P D 1
C16 C 1.1269(7) 0.3668(8) 0.0398(5) 0.0675(19) Uani 0.522(14) 1 d D U P D 1
H16 H 1.160173 0.357041 -0.008048 0.081 Uiso 0.522(14) 1 calc R U P D 1
C17 C 1.0200(8) 0.3751(7) 0.0496(5) 0.0590(18) Uani 0.522(14) 1 d D U P D 1
H17 H 0.977574 0.373958 0.009654 0.071 Uiso 0.522(14) 1 calc R U P D 1
C6 C 0.8988(2) 0.51114(16) 0.24544(15) 0.0431(5) Uani 1 1 d D U . . .
C5 C 0.9648(10) 0.5717(6) 0.2092(9) 0.0539(19) Uani 0.555(16) 1 d D U P A 1
C4 C 0.9214(8) 0.6502(6) 0.1830(6) 0.0625(18) Uani 0.555(16) 1 d D U P A 1
H4 H 0.963747 0.691706 0.157956 0.075 Uiso 0.555(16) 1 calc R U P A 1
C3 C 0.8144(7) 0.6662(5) 0.1944(6) 0.0648(18) Uani 0.555(16) 1 d D U P A 1
H3 H 0.784089 0.720220 0.178575 0.078 Uiso 0.555(16) 1 calc R U P A 1
C2 C 0.7505(8) 0.6058(6) 0.2282(7) 0.0612(18) Uani 0.555(16) 1 d D U P A 1
H2 H 0.677706 0.619067 0.234784 0.073 Uiso 0.555(16) 1 calc R U P A 1
C1 C 0.7913(8) 0.5263(10) 0.2526(11) 0.051(2) Uani 0.555(16) 1 d D U P A 1
H1 H 0.747635 0.483786 0.273281 0.061 Uiso 0.555(16) 1 calc R U P A 1
C44 C 1.1410(12) 0.6117(8) 0.1839(13) 0.074(3) Uani 0.555(16) 1 d D U P A 1
H44A H 1.125212 0.644085 0.135897 0.111 Uiso 0.555(16) 1 calc R U P A 1
H44B H 1.211673 0.585117 0.178957 0.111 Uiso 0.555(16) 1 calc R U P A 1
H44C H 1.135281 0.648690 0.223249 0.111 Uiso 0.555(16) 1 calc R U P A 1
C7 C 1.04830(18) 0.41973(16) 0.33762(13) 0.0363(5) Uani 1 1 d . . . . .
C12 C 1.1155(2) 0.35369(19) 0.36421(18) 0.0492(6) Uani 1 1 d D . . . .
C11 C 1.1768(2) 0.3611(3) 0.4230(2) 0.0647(9) Uani 1 1 d . . . . .
H11 H 1.222922 0.315741 0.440817 0.078 Uiso 1 1 calc R U . . .
C10 C 1.1699(3) 0.4334(3) 0.45450(19) 0.0677(10) Uani 1 1 d . . . . .
H10 H 1.211762 0.438000 0.493983 0.081 Uiso 1 1 calc R U . . .
C9 C 1.1040(3) 0.4990(3) 0.43014(18) 0.0615(9) Uani 1 1 d . . . . .
H9 H 1.099990 0.549242 0.452221 0.074 Uiso 1 1 calc R U . . .
C8 C 1.0427(2) 0.4919(2) 0.37269(16) 0.0471(6) Uani 1 1 d . . . . .
H8 H 0.995589 0.537394 0.356711 0.056 Uiso 1 1 calc R U . . .
C45A C 1.2127(9) 0.2347(8) 0.3103(12) 0.083(3) Uani 0.427(18) 1 d D U P B 2
H45A H 1.200509 0.192119 0.279099 0.125 Uiso 0.427(18) 1 calc R U P B 2
H45B H 1.235860 0.207824 0.358510 0.125 Uiso 0.427(18) 1 calc R U P B 2
H45C H 1.266328 0.269202 0.284144 0.125 Uiso 0.427(18) 1 calc R U P B 2
C31 C 0.93384(19) 0.17206(17) 0.21361(16) 0.0414(5) Uani 1 1 d . . . . .
C36 C 0.9833(2) 0.12924(19) 0.27518(18) 0.0506(7) Uani 1 1 d . . . . .
C35 C 1.0713(3) 0.0757(2) 0.2637(3) 0.0698(10) Uani 1 1 d . . . . .
H35 H 1.103154 0.045402 0.305371 0.084 Uiso 1 1 calc R U . . .
C34 C 1.1120(3) 0.0670(3) 0.1911(3) 0.0843(14) Uani 1 1 d . . . . .
H34 H 1.172694 0.030851 0.183095 0.101 Uiso 1 1 calc R U . . .
C33 C 1.0664(3) 0.1097(3) 0.1301(3) 0.0785(12) Uani 1 1 d . . . . .
H33 H 1.096151 0.103678 0.080477 0.094 Uiso 1 1 calc R U . . .
C32 C 0.9767(2) 0.1618(2) 0.14106(18) 0.0552(7) Uani 1 1 d . . . . .
H32 H 0.944477 0.190462 0.098845 0.066 Uiso 1 1 calc R U . . .
C47 C 0.9801(4) 0.0968(3) 0.4092(2) 0.0943(16) Uani 1 1 d . . . . .
H47A H 0.977257 0.037126 0.407949 0.141 Uiso 1 1 calc R U . . .
H47B H 0.940295 0.113135 0.454928 0.141 Uiso 1 1 calc R U . . .
H47C H 1.052462 0.109255 0.409270 0.141 Uiso 1 1 calc R U . . .
C25 C 0.7179(2) 0.16148(17) 0.26043(14) 0.0403(5) Uani 1 1 d . . . . .
C30 C 0.6121(2) 0.1892(2) 0.26557(17) 0.0511(7) Uani 1 1 d D . . . .
C29 C 0.5374(3) 0.1326(3) 0.2896(2) 0.0712(11) Uani 1 1 d . . . . .
H29 H 0.465820 0.151238 0.293158 0.085 Uiso 1 1 calc R U . . .
C28 C 0.5677(4) 0.0503(3) 0.3080(2) 0.0804(14) Uani 1 1 d . . . . .
H28 H 0.516478 0.012236 0.324404 0.097 Uiso 1 1 calc R U . . .
C27 C 0.6698(4) 0.0218(2) 0.3032(2) 0.0711(11) Uani 1 1 d . . . . .
H27 H 0.689504 -0.035508 0.315970 0.085 Uiso 1 1 calc R U . . .
C26 C 0.7454(3) 0.07753(19) 0.27924(17) 0.0524(7) Uani 1 1 d . . . . .
H26 H 0.816586 0.057656 0.275819 0.063 Uiso 1 1 calc R U . . .
C46 C 0.4823(5) 0.2929(5) 0.2407(7) 0.0657(18) Uani 0.633(18) 1 d D U P C 1
H46A H 0.455745 0.256508 0.209007 0.098 Uiso 0.633(18) 1 calc R U P C 1
H46B H 0.470604 0.350852 0.218616 0.098 Uiso 0.633(18) 1 calc R U P C 1
H46C H 0.446164 0.285384 0.291322 0.098 Uiso 0.633(18) 1 calc R U P C 1
F1 F 0.6612(6) -0.0637(3) 0.5748(4) 0.0811(15) Uani 0.516(7) 1 d D U P E 1
F1A F 0.7119(6) -0.0540(4) 0.5915(3) 0.0759(16) Uani 0.484(7) 1 d D U P E 2
F2 F 0.6894(6) 0.0095(5) 0.4688(3) 0.0867(17) Uani 0.516(7) 1 d D U P E 1
F2A F 0.7781(5) 0.0337(4) 0.5078(5) 0.0870(17) Uani 0.484(7) 1 d D U P E 2
F3 F 0.7896(3) 0.0069(4) 0.5536(4) 0.0730(14) Uani 0.516(7) 1 d D U P E 1
F3A F 0.6440(5) -0.0214(4) 0.4893(4) 0.0745(15) Uani 0.484(7) 1 d D U P E 2
F4 F 0.3851(8) 0.3127(4) 0.5419(6) 0.0891(19) Uani 0.525(13) 1 d D U P F 1
F4A F 0.4278(7) 0.3166(4) 0.5098(6) 0.0822(18) Uani 0.475(13) 1 d D U P F 2
F5 F 0.3132(5) 0.2012(5) 0.5454(5) 0.0779(16) Uani 0.525(13) 1 d D U P F 1
F5A F 0.3136(6) 0.2370(8) 0.5604(5) 0.094(2) Uani 0.475(13) 1 d D U P F 2
F6 F 0.4194(8) 0.2389(7) 0.4511(4) 0.084(2) Uani 0.525(13) 1 d D U P F 1
F6A F 0.3977(9) 0.2139(6) 0.4575(5) 0.0789(19) Uani 0.475(13) 1 d D U P F 2
F7 F 0.6682(5) -0.1033(6) 0.9405(5) 0.0691(17) Uani 0.621(11) 1 d D U P G 1
F7A F 0.6546(8) -0.0954(9) 0.9594(6) 0.0551(18) Uani 0.379(11) 1 d D U P G 2
F8 F 0.5652(7) -0.1684(3) 0.8864(3) 0.0778(15) Uani 0.621(11) 1 d D U P G 1
F8A F 0.6186(7) -0.1529(5) 0.8692(5) 0.0653(17) Uani 0.379(11) 1 d D U P G 2
F9 F 0.5202(4) -0.1337(3) 0.9947(2) 0.0532(9) Uani 0.621(11) 1 d D U P G 1
F9A F 0.5154(7) -0.1555(6) 0.9693(8) 0.083(2) Uani 0.379(11) 1 d D U P G 2
F10 F 0.20480(18) 0.00575(17) 0.8800(2) 0.0571(9) Uani 0.733(7) 1 d D U P H 1
F10A F 0.2064(6) 0.0304(7) 0.9281(7) 0.079(2) Uani 0.267(7) 1 d D U P H 2
F11 F 0.2216(4) 0.1173(4) 0.8062(3) 0.0578(11) Uani 0.733(7) 1 d D U P H 1
F11A F 0.2033(13) 0.1029(12) 0.8138(8) 0.061(2) Uani 0.267(7) 1 d D U P H 2
F12 F 0.2176(4) 0.1221(4) 0.9231(3) 0.0798(13) Uani 0.733(7) 1 d D U P H 1
F12A F 0.2346(8) 0.1533(6) 0.9115(6) 0.059(2) Uani 0.267(7) 1 d D U P H 2
F13 F 0.4245(5) 0.3259(3) 0.9888(2) 0.0840(15) Uani 0.616(5) 1 d D U P I 1
F13A F 0.3545(6) 0.3237(4) 0.9602(4) 0.0846(18) Uani 0.384(5) 1 d D U P I 2
F14 F 0.3244(3) 0.4134(4) 0.9247(2) 0.0834(13) Uani 0.616(5) 1 d D U P I 1
F14A F 0.3633(7) 0.4522(4) 0.9374(4) 0.0804(19) Uani 0.384(5) 1 d D U P I 2
F15 F 0.4563(4) 0.4531(3) 0.9633(3) 0.0968(15) Uani 0.616(5) 1 d D U P I 1
F15A F 0.4764(5) 0.3794(6) 0.9963(3) 0.0869(18) Uani 0.384(5) 1 d D U P I 2
F16 F 0.5040(2) 0.54925(14) 0.67639(15) 0.0938(8) Uani 1 1 d . . . . .
F17 F 0.6206(3) 0.47335(15) 0.62032(16) 0.1293(14) Uani 1 1 d . . . . .
F18 F 0.6576(2) 0.53839(16) 0.7090(2) 0.1124(11) Uani 1 1 d . . . . .
F19 F 0.97457(17) 0.1353(2) 0.60514(12) 0.0890(8) Uani 1 1 d . . . . .
F20 F 0.9767(2) 0.2595(2) 0.61987(15) 0.1038(9) Uani 1 1 d . . . . .
F21 F 1.08528(14) 0.1708(3) 0.67217(12) 0.1226(14) Uani 1 1 d . . . . .
F22 F 0.83674(15) 0.10262(16) 0.98639(10) 0.0698(6) Uani 1 1 d . . . . .
F23 F 0.99042(16) 0.07449(17) 0.93889(11) 0.0785(7) Uani 1 1 d . . . . .
F24 F 0.9380(2) 0.19834(15) 0.95568(11) 0.0796(7) Uani 1 1 d . . . . .
C57 C 0.43043(17) 0.11935(15) 0.82446(13) 0.0335(4) Uani 1 1 d . . . . .
H57 H 0.397321 0.169237 0.801175 0.040 Uiso 1 1 calc R U . . .
C72 C 0.58555(16) 0.16217(14) 0.67792(12) 0.0296(4) Uani 1 1 d . . . . .
C79 C 0.64204(17) 0.09754(14) 0.64385(13) 0.0315(4) Uani 1 1 d . . . . .
H79 H 0.694282 0.064827 0.670385 0.038 Uiso 1 1 calc R U . . .
C77 C 0.62513(19) 0.07912(15) 0.57307(14) 0.0361(5) Uani 1 1 d . . . . .
C76 C 0.5482(2) 0.12450(17) 0.53270(15) 0.0417(5) Uani 1 1 d . . . . .
H76 H 0.536842 0.113024 0.483817 0.050 Uiso 1 1 calc R U . . .
C74 C 0.4893(2) 0.18636(17) 0.56596(16) 0.0430(6) Uani 1 1 d . . . . .
C73 C 0.50674(18) 0.20531(16) 0.63688(14) 0.0367(5) Uani 1 1 d . . . . .
H73 H 0.464112 0.248548 0.657938 0.044 Uiso 1 1 calc R U . . .
C78 C 0.6898(2) 0.00932(18) 0.54130(16) 0.0489(6) Uani 1 1 d D U . . .
C75 C 0.4047(3) 0.2366(2) 0.5250(2) 0.0635(8) Uani 1 1 d D U . . .
C56 C 0.53920(16) 0.10825(13) 0.81693(12) 0.0289(4) Uani 1 1 d . . . . .
C63 C 0.58216(16) 0.03262(14) 0.85117(13) 0.0311(4) Uani 1 1 d . . . . .
H63 H 0.655415 0.021341 0.846697 0.037 Uiso 1 1 calc R U . . .
C61 C 0.52099(18) -0.02694(14) 0.89173(13) 0.0341(5) Uani 1 1 d . . . . .
C60 C 0.41412(19) -0.01372(15) 0.89928(14) 0.0363(5) Uani 1 1 d . . . . .
H60 H 0.372534 -0.054030 0.927346 0.044 Uiso 1 1 calc R U . . .
C58 C 0.36948(17) 0.06019(16) 0.86464(14) 0.0367(5) Uani 1 1 d . . . . .
C62 C 0.5718(2) -0.10747(16) 0.92592(17) 0.0479(6) Uani 1 1 d D U . . .
C59 C 0.2538(2) 0.0774(2) 0.87155(19) 0.0537(7) Uani 1 1 d D U . . .
C48 C 0.56565(16) 0.27227(14) 0.78151(13) 0.0322(4) Uani 1 1 d . . . . .
C55 C 0.51321(17) 0.29018(15) 0.84990(14) 0.0346(5) Uani 1 1 d . . . . .
H55 H 0.496988 0.245646 0.887668 0.042 Uiso 1 1 calc R U . . .
C53 C 0.48397(19) 0.37144(17) 0.86434(16) 0.0417(5) Uani 1 1 d . . . . .
C52 C 0.5071(2) 0.43801(17) 0.81193(19) 0.0525(7) Uani 1 1 d . . . . .
H52 H 0.487255 0.493319 0.822098 0.063 Uiso 1 1 calc R U . . .
C50 C 0.5601(2) 0.42216(17) 0.74377(19) 0.0525(7) Uani 1 1 d . . . . .
C49 C 0.5890(2) 0.34118(16) 0.72910(15) 0.0413(5) Uani 1 1 d . . . . .
H49 H 0.625809 0.332187 0.682108 0.050 Uiso 1 1 calc R U . . .
C54 C 0.4224(3) 0.3870(2) 0.93722(19) 0.0591(7) Uani 1 1 d D U . . .
C51 C 0.5856(4) 0.4947(2) 0.6858(3) 0.0784(12) Uani 1 1 d . . . . .
C64 C 0.73027(16) 0.16788(13) 0.77466(12) 0.0286(4) Uani 1 1 d . . . . .
C71 C 0.80656(17) 0.17906(16) 0.71466(13) 0.0342(5) Uani 1 1 d . . . . .
H71 H 0.785754 0.192565 0.665032 0.041 Uiso 1 1 calc R U . . .
C69 C 0.91261(18) 0.17111(18) 0.72492(13) 0.0393(5) Uani 1 1 d . . . . .
C68 C 0.94611(18) 0.15266(17) 0.79609(14) 0.0387(5) Uani 1 1 d . . . . .
H68 H 1.018048 0.145541 0.803130 0.046 Uiso 1 1 calc R U . . .
C66 C 0.87221(17) 0.14478(15) 0.85696(13) 0.0326(4) Uani 1 1 d . . . . .
C65 C 0.76665(16) 0.15253(14) 0.84666(12) 0.0299(4) Uani 1 1 d . . . . .
H65 H 0.717802 0.147265 0.889643 0.036 Uiso 1 1 calc R U . . .
C70 C 0.9893(2) 0.1827(3) 0.65712(17) 0.0624(9) Uani 1 1 d . . . . .
C67 C 0.9084(2) 0.12911(19) 0.93454(14) 0.0427(6) Uani 1 1 d . . . . .
B1 B 0.60556(18) 0.17786(15) 0.76341(14) 0.0282(4) Uani 1 1 d . . . . .
O2A O 1.0564(12) 0.5649(9) 0.2054(17) 0.0531(19) Uani 0.445(16) 1 d D U P A 2
C5A C 0.9522(11) 0.5823(7) 0.2196(11) 0.051(2) Uani 0.445(16) 1 d D U P A 2
C4A C 0.9016(9) 0.6616(7) 0.2092(8) 0.061(2) Uani 0.445(16) 1 d D U P A 2
H4A H 0.939951 0.707540 0.189115 0.073 Uiso 0.445(16) 1 calc R U P A 2
C3A C 0.7962(8) 0.6739(6) 0.2280(9) 0.064(2) Uani 0.445(16) 1 d D U P A 2
H3A H 0.762692 0.728336 0.221195 0.077 Uiso 0.445(16) 1 calc R U P A 2
C2A C 0.7389(10) 0.6074(7) 0.2567(8) 0.057(2) Uani 0.445(16) 1 d D U P A 2
H2A H 0.666580 0.614985 0.270981 0.069 Uiso 0.445(16) 1 calc R U P A 2
C1A C 0.7923(10) 0.5292(12) 0.2637(14) 0.050(3) Uani 0.445(16) 1 d D U P A 2
H1A H 0.752795 0.483531 0.282590 0.060 Uiso 0.445(16) 1 calc R U P A 2
C44A C 1.1207(12) 0.6321(9) 0.1869(14) 0.063(3) Uani 0.445(16) 1 d D U P A 2
H44D H 1.100430 0.665520 0.140456 0.095 Uiso 0.445(16) 1 calc R U P A 2
H44E H 1.193350 0.610155 0.179400 0.095 Uiso 0.445(16) 1 calc R U P A 2
H44F H 1.112760 0.666745 0.228008 0.095 Uiso 0.445(16) 1 calc R U P A 2
C18A C 0.9805(8) 0.3728(15) 0.1229(8) 0.058(2) Uani 0.478(14) 1 d D U P D 2
C14A C 1.1440(8) 0.3641(10) 0.1795(8) 0.062(2) Uani 0.478(14) 1 d D U P D 2
H14A H 1.179780 0.368779 0.222150 0.075 Uiso 0.478(14) 1 calc R U P D 2
C15A C 1.2015(8) 0.3361(9) 0.1160(6) 0.068(2) Uani 0.478(14) 1 d D U P D 2
H15A H 1.274519 0.323960 0.114820 0.082 Uiso 0.478(14) 1 calc R U P D 2
C16A C 1.1477(8) 0.3267(9) 0.0551(6) 0.070(2) Uani 0.478(14) 1 d D U P D 2
H16A H 1.183731 0.307629 0.011243 0.084 Uiso 0.478(14) 1 calc R U P D 2
C17A C 1.0404(9) 0.3455(9) 0.0586(6) 0.064(2) Uani 0.478(14) 1 d D U P D 2
H17A H 1.005372 0.339718 0.015800 0.077 Uiso 0.478(14) 1 calc R U P D 2
O5A O 0.584(2) 0.2706(11) 0.244(4) 0.060(3) Uani 0.367(18) 1 d D U P C 2
C46A C 0.4998(10) 0.3088(9) 0.2010(11) 0.066(2) Uani 0.367(18) 1 d D U P C 2
H46D H 0.521315 0.359544 0.170238 0.098 Uiso 0.367(18) 1 calc R U P C 2
H46E H 0.439537 0.322707 0.235764 0.098 Uiso 0.367(18) 1 calc R U P C 2
H46F H 0.481191 0.269975 0.168246 0.098 Uiso 0.367(18) 1 calc R U P C 2
O3 O 1.1125(10) 0.2819(7) 0.3361(10) 0.061(2) Uani 0.573(18) 1 d D U P B 1
C45 C 1.1944(7) 0.2198(6) 0.3542(8) 0.077(2) Uani 0.573(18) 1 d D U P B 1
H45D H 1.194819 0.175242 0.322347 0.116 Uiso 0.573(18) 1 calc R U P B 1
H45E H 1.183444 0.196821 0.407258 0.116 Uiso 0.573(18) 1 calc R U P B 1
H45F H 1.261038 0.244652 0.345246 0.116 Uiso 0.573(18) 1 calc R U P B 1


_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 P1 2.3813(6) . ?
Rh1 P2 2.3368(6) . ?
Rh1 C37 2.200(2) . ?
Rh1 C38 2.210(3) . ?
Rh1 C40 2.160(2) . ?
Rh1 C41 2.160(2) . ?
P1 C24 1.839(3) . ?
P1 C31 1.830(3) . ?
P1 C25 1.835(3) . ?
P2 C13 1.819(3) . ?
P2 C6 1.822(3) . ?
P2 C7 1.826(2) . ?
O1 C19 1.391(3) . ?
O1 C18 1.370(9) . ?
O1 C18A 1.412(11) . ?
O2 C5 1.369(9) . ?
O2 C44 1.425(9) . ?
O3A C12 1.382(13) . ?
O3A C45A 1.469(13) . ?
O4 C36 1.365(4) . ?
O4 C47 1.420(4) . ?
O5 C30 1.356(9) . ?
O5 C46 1.450(14) . ?
C37 H37 1.0000 . ?
C37 C38 1.380(4) . ?
C37 C42 1.541(3) . ?
C38 H38 1.0000 . ?
C38 C39 1.539(4) . ?
C39 H39 1.0000 . ?
C39 C40 1.537(4) . ?
C39 C43 1.542(4) . ?
C40 H40 1.0000 . ?
C40 C41 1.389(4) . ?
C41 H41 1.0000 . ?
C41 C42 1.542(4) . ?
C42 H42 1.0000 . ?
C42 C43 1.541(5) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C24 C19 1.378(4) . ?
C24 C23 1.407(3) . ?
C19 C20 1.395(4) . ?
C20 H20 0.9500 . ?
C20 C21 1.389(5) . ?
C21 H21 0.9500 . ?
C21 C22 1.372(5) . ?
C22 H22 0.9500 . ?
C22 C23 1.382(4) . ?
C23 H23 0.9500 . ?
C18 C13 1.375(9) . ?
C18 C17 1.389(9) . ?
C13 C14 1.387(9) . ?
C13 C18A 1.407(10) . ?
C13 C14A 1.418(11) . ?
C14 H14 0.9500 . ?
C14 C15 1.385(10) . ?
C15 H15 0.9500 . ?
C15 C16 1.398(9) . ?
C16 H16 0.9500 . ?
C16 C17 1.378(9) . ?
C17 H17 0.9500 . ?
C6 C5 1.417(9) . ?
C6 C1 1.392(10) . ?
C6 C5A 1.409(10) . ?
C6 C1A 1.403(11) . ?
C5 C4 1.392(9) . ?
C4 H4 0.9500 . ?
C4 C3 1.391(9) . ?
C3 H3 0.9500 . ?
C3 C2 1.386(9) . ?
C2 H2 0.9500 . ?
C2 C1 1.386(10) . ?
C1 H1 0.9500 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C7 C12 1.386(4) . ?
C7 C8 1.398(4) . ?
C12 C11 1.409(4) . ?
C12 O3 1.339(8) . ?
C11 H11 0.9500 . ?
C11 C10 1.364(6) . ?
C10 H10 0.9500 . ?
C10 C9 1.360(6) . ?
C9 H9 0.9500 . ?
C9 C8 1.388(4) . ?
C8 H8 0.9500 . ?
C45A H45A 0.9800 . ?
C45A H45B 0.9800 . ?
C45A H45C 0.9800 . ?
C31 C36 1.407(4) . ?
C31 C32 1.391(4) . ?
C36 C35 1.388(4) . ?
C35 H35 0.9500 . ?
C35 C34 1.378(6) . ?
C34 H34 0.9500 . ?
C34 C33 1.375(7) . ?
C33 H33 0.9500 . ?
C33 C32 1.390(5) . ?
C32 H32 0.9500 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C25 C30 1.404(4) . ?
C25 C26 1.387(4) . ?
C30 C29 1.399(4) . ?
C30 O5A 1.359(14) . ?
C29 H29 0.9500 . ?
C29 C28 1.369(7) . ?
C28 H28 0.9500 . ?
C28 C27 1.363(7) . ?
C27 H27 0.9500 . ?
C27 C26 1.397(4) . ?
C26 H26 0.9500 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
F1 C78 1.329(6) . ?
F1A C78 1.308(6) . ?
F2 C78 1.302(5) . ?
F2A C78 1.313(6) . ?
F3 C78 1.334(5) . ?
F3A C78 1.328(5) . ?
F4 C75 1.312(6) . ?
F4A C75 1.352(7) . ?
F5 C75 1.366(7) . ?
F5A C75 1.288(8) . ?
F6 C75 1.319(8) . ?
F6A C75 1.327(8) . ?
F7 C62 1.314(6) . ?
F7A C62 1.324(9) . ?
F8 C62 1.307(5) . ?
F8A C62 1.396(7) . ?
F9 C62 1.383(5) . ?
F9A C62 1.261(8) . ?
F10 C59 1.365(4) . ?
F10A C59 1.325(7) . ?
F11 C59 1.350(5) . ?
F11A C59 1.285(12) . ?
F12 C59 1.280(5) . ?
F12A C59 1.499(10) . ?
F13 C54 1.268(5) . ?
F13A C54 1.413(7) . ?
F14 C54 1.336(5) . ?
F14A C54 1.252(6) . ?
F15 C54 1.354(5) . ?
F15A C54 1.317(7) . ?
F16 C51 1.329(5) . ?
F17 C51 1.297(5) . ?
F18 C51 1.354(6) . ?
F19 C70 1.327(4) . ?
F20 C70 1.344(5) . ?
F21 C70 1.294(3) . ?
F22 C67 1.311(3) . ?
F23 C67 1.325(3) . ?
F24 C67 1.337(3) . ?
C57 H57 0.9500 . ?
C57 C56 1.403(3) . ?
C57 C58 1.387(3) . ?
C72 C79 1.400(3) . ?
C72 C73 1.402(3) . ?
C72 B1 1.640(3) . ?
C79 H79 0.9500 . ?
C79 C77 1.387(3) . ?
C77 C76 1.392(3) . ?
C77 C78 1.491(4) . ?
C76 H76 0.9500 . ?
C76 C74 1.372(4) . ?
C74 C73 1.395(4) . ?
C74 C75 1.502(3) . ?
C73 H73 0.9500 . ?
C56 C63 1.397(3) . ?
C56 B1 1.639(3) . ?
C63 H63 0.9500 . ?
C63 C61 1.395(3) . ?
C61 C60 1.381(3) . ?
C61 C62 1.498(3) . ?
C60 H60 0.9500 . ?
C60 C58 1.385(3) . ?
C58 C59 1.499(3) . ?
C48 C55 1.397(3) . ?
C48 C49 1.403(3) . ?
C48 B1 1.640(3) . ?
C55 H55 0.9500 . ?
C55 C53 1.394(3) . ?
C53 C52 1.375(4) . ?
C53 C54 1.504(4) . ?
C52 H52 0.9500 . ?
C52 C50 1.388(4) . ?
C50 C49 1.390(4) . ?
C50 C51 1.508(4) . ?
C49 H49 0.9500 . ?
C64 C71 1.396(3) . ?
C64 C65 1.405(3) . ?
C64 B1 1.643(3) . ?
C71 H71 0.9500 . ?
C71 C69 1.400(3) . ?
C69 C68 1.379(3) . ?
C69 C70 1.499(4) . ?
C68 H68 0.9500 . ?
C68 C66 1.383(3) . ?
C66 C65 1.394(3) . ?
C66 C67 1.498(3) . ?
C65 H65 0.9500 . ?
O2A C5A 1.363(11) . ?
O2A C44A 1.423(10) . ?
C5A C4A 1.392(10) . ?
C4A H4A 0.9500 . ?
C4A C3A 1.380(10) . ?
C3A H3A 0.9500 . ?
C3A C2A 1.385(10) . ?
C2A H2A 0.9500 . ?
C2A C1A 1.390(11) . ?
C1A H1A 0.9500 . ?
C44A H44D 0.9800 . ?
C44A H44E 0.9800 . ?
C44A H44F 0.9800 . ?
C18A C17A 1.426(10) . ?
C14A H14A 0.9500 . ?
C14A C15A 1.404(10) . ?
C15A H15A 0.9500 . ?
C15A C16A 1.387(10) . ?
C16A H16A 0.9500 . ?
C16A C17A 1.397(10) . ?
C17A H17A 0.9500 . ?
O5A C46A 1.450(18) . ?
C46A H46D 0.9800 . ?
C46A H46E 0.9800 . ?
C46A H46F 0.9800 . ?
O3 C45 1.430(9) . ?
C45 H45D 0.9800 . ?
C45 H45E 0.9800 . ?
C45 H45F 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P2 Rh1 P1 100.67(2) . . ?
C37 Rh1 P1 101.17(7) . . ?
C37 Rh1 P2 146.30(8) . . ?
C37 Rh1 C38 36.47(11) . . ?
C38 Rh1 P1 94.24(7) . . ?
C38 Rh1 P2 161.88(7) . . ?
C40 Rh1 P1 148.13(8) . . ?
C40 Rh1 P2 96.27(7) . . ?
C40 Rh1 C37 77.85(10) . . ?
C40 Rh1 C38 65.80(9) . . ?
C40 Rh1 C41 37.49(10) . . ?
C41 Rh1 P1 166.32(7) . . ?
C41 Rh1 P2 89.00(7) . . ?
C41 Rh1 C37 66.01(9) . . ?
C41 Rh1 C38 78.24(10) . . ?
C24 P1 Rh1 125.36(9) . . ?
C31 P1 Rh1 110.00(8) . . ?
C31 P1 C24 103.29(12) . . ?
C31 P1 C25 102.75(13) . . ?
C25 P1 Rh1 111.59(8) . . ?
C25 P1 C24 101.34(12) . . ?
C13 P2 Rh1 122.97(9) . . ?
C13 P2 C6 102.88(15) . . ?
C13 P2 C7 106.44(12) . . ?
C6 P2 Rh1 110.35(9) . . ?
C6 P2 C7 103.33(12) . . ?
C7 P2 Rh1 109.07(8) . . ?
C19 O1 C18A 114.4(7) . . ?
C18 O1 C19 120.6(6) . . ?
C5 O2 C44 120.2(9) . . ?
C12 O3A C45A 119.9(13) . . ?
C36 O4 C47 118.6(3) . . ?
C30 O5 C46 110.5(11) . . ?
Rh1 C37 H37 123.0 . . ?
C38 C37 Rh1 72.16(15) . . ?
C38 C37 H37 123.0 . . ?
C38 C37 C42 106.8(2) . . ?
C42 C37 Rh1 95.75(15) . . ?
C42 C37 H37 123.0 . . ?
Rh1 C38 H38 123.4 . . ?
C37 C38 Rh1 71.37(15) . . ?
C37 C38 H38 123.4 . . ?
C37 C38 C39 106.2(2) . . ?
C39 C38 Rh1 95.48(16) . . ?
C39 C38 H38 123.4 . . ?
C38 C39 H39 117.3 . . ?
C38 C39 C43 101.0(2) . . ?
C40 C39 C38 101.0(2) . . ?
C40 C39 H39 117.3 . . ?
C40 C39 C43 100.1(2) . . ?
C43 C39 H39 117.3 . . ?
Rh1 C40 H40 122.8 . . ?
C39 C40 Rh1 97.54(15) . . ?
C39 C40 H40 122.8 . . ?
C41 C40 Rh1 71.26(13) . . ?
C41 C40 C39 106.8(2) . . ?
C41 C40 H40 122.8 . . ?
Rh1 C41 H41 123.1 . . ?
C40 C41 Rh1 71.25(13) . . ?
C40 C41 H41 123.1 . . ?
C40 C41 C42 105.9(2) . . ?
C42 C41 Rh1 97.31(15) . . ?
C42 C41 H41 123.1 . . ?
C37 C42 C41 100.76(19) . . ?
C37 C42 H42 117.3 . . ?
C41 C42 H42 117.3 . . ?
C43 C42 C37 100.7(2) . . ?
C43 C42 C41 100.3(2) . . ?
C43 C42 H42 117.3 . . ?
C39 C43 H43A 112.9 . . ?
C39 C43 H43B 112.9 . . ?
C42 C43 C39 94.0(2) . . ?
C42 C43 H43A 112.9 . . ?
C42 C43 H43B 112.9 . . ?
H43A C43 H43B 110.3 . . ?
C19 C24 P1 121.79(19) . . ?
C19 C24 C23 117.5(3) . . ?
C23 C24 P1 120.6(2) . . ?
O1 C19 C20 117.9(3) . . ?
C24 C19 O1 119.2(2) . . ?
C24 C19 C20 122.8(3) . . ?
C19 C20 H20 121.0 . . ?
C21 C20 C19 118.0(3) . . ?
C21 C20 H20 121.0 . . ?
C20 C21 H21 119.8 . . ?
C22 C21 C20 120.5(3) . . ?
C22 C21 H21 119.8 . . ?
C21 C22 H22 119.6 . . ?
C21 C22 C23 120.9(3) . . ?
C23 C22 H22 119.6 . . ?
C24 C23 H23 119.9 . . ?
C22 C23 C24 120.3(3) . . ?
C22 C23 H23 119.9 . . ?
O1 C18 C13 116.7(7) . . ?
O1 C18 C17 117.1(8) . . ?
C13 C18 C17 126.2(8) . . ?
C18 C13 P2 114.5(4) . . ?
C18 C13 C14 117.4(7) . . ?
C14 C13 P2 127.0(6) . . ?
C18A C13 P2 116.1(5) . . ?
C18A C13 C14A 118.6(8) . . ?
C14A C13 P2 123.8(6) . . ?
C13 C14 H14 120.8 . . ?
C15 C14 C13 118.3(10) . . ?
C15 C14 H14 120.8 . . ?
C14 C15 H15 119.3 . . ?
C14 C15 C16 121.4(8) . . ?
C16 C15 H15 119.3 . . ?
C15 C16 H16 119.3 . . ?
C17 C16 C15 121.5(7) . . ?
C17 C16 H16 119.3 . . ?
C18 C17 H17 122.8 . . ?
C16 C17 C18 114.5(8) . . ?
C16 C17 H17 122.8 . . ?
C5 C6 P2 117.5(5) . . ?
C1 C6 P2 119.7(7) . . ?
C1 C6 C5 122.1(9) . . ?
C5A C6 P2 126.3(6) . . ?
C1A C6 P2 119.7(8) . . ?
C1A C6 C5A 113.3(10) . . ?
O2 C5 C6 117.4(9) . . ?
O2 C5 C4 123.4(9) . . ?
C4 C5 C6 119.2(9) . . ?
C5 C4 H4 120.9 . . ?
C3 C4 C5 118.2(8) . . ?
C3 C4 H4 120.9 . . ?
C4 C3 H3 119.0 . . ?
C2 C3 C4 122.0(7) . . ?
C2 C3 H3 119.0 . . ?
C3 C2 H2 119.5 . . ?
C1 C2 C3 121.0(10) . . ?
C1 C2 H2 119.5 . . ?
C6 C1 H1 121.3 . . ?
C2 C1 C6 117.3(12) . . ?
C2 C1 H1 121.3 . . ?
O2 C44 H44A 109.5 . . ?
O2 C44 H44B 109.5 . . ?
O2 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C12 C7 P2 120.4(2) . . ?
C12 C7 C8 117.3(2) . . ?
C8 C7 P2 121.7(2) . . ?
O3A C12 C7 111.9(8) . . ?
O3A C12 C11 127.6(8) . . ?
C7 C12 C11 120.4(3) . . ?
O3 C12 C7 117.0(6) . . ?
O3 C12 C11 122.3(6) . . ?
C12 C11 H11 120.0 . . ?
C10 C11 C12 120.1(3) . . ?
C10 C11 H11 120.0 . . ?
C11 C10 H10 119.5 . . ?
C9 C10 C11 120.9(3) . . ?
C9 C10 H10 119.5 . . ?
C10 C9 H9 120.3 . . ?
C10 C9 C8 119.3(3) . . ?
C8 C9 H9 120.3 . . ?
C7 C8 H8 119.0 . . ?
C9 C8 C7 122.0(3) . . ?
C9 C8 H8 119.0 . . ?
O3A C45A H45A 109.5 . . ?
O3A C45A H45B 109.5 . . ?
O3A C45A H45C 109.5 . . ?
H45A C45A H45B 109.5 . . ?
H45A C45A H45C 109.5 . . ?
H45B C45A H45C 109.5 . . ?
C36 C31 P1 119.2(2) . . ?
C32 C31 P1 122.0(2) . . ?
C32 C31 C36 118.8(3) . . ?
O4 C36 C31 115.9(2) . . ?
O4 C36 C35 123.5(3) . . ?
C35 C36 C31 120.6(3) . . ?
C36 C35 H35 120.4 . . ?
C34 C35 C36 119.3(4) . . ?
C34 C35 H35 120.4 . . ?
C35 C34 H34 119.4 . . ?
C33 C34 C35 121.1(3) . . ?
C33 C34 H34 119.4 . . ?
C34 C33 H33 120.0 . . ?
C34 C33 C32 120.0(3) . . ?
C32 C33 H33 120.0 . . ?
C31 C32 H32 119.9 . . ?
C33 C32 C31 120.2(3) . . ?
C33 C32 H32 119.9 . . ?
O4 C47 H47A 109.5 . . ?
O4 C47 H47B 109.5 . . ?
O4 C47 H47C 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C30 C25 P1 118.9(2) . . ?
C26 C25 P1 122.6(2) . . ?
C26 C25 C30 118.5(3) . . ?
O5 C30 C25 114.3(8) . . ?
O5 C30 C29 125.7(8) . . ?
C29 C30 C25 120.0(3) . . ?
O5A C30 C25 118.7(16) . . ?
O5A C30 C29 121.3(15) . . ?
C30 C29 H29 120.1 . . ?
C28 C29 C30 119.9(4) . . ?
C28 C29 H29 120.1 . . ?
C29 C28 H28 119.4 . . ?
C27 C28 C29 121.2(3) . . ?
C27 C28 H28 119.4 . . ?
C28 C27 H27 120.2 . . ?
C28 C27 C26 119.6(4) . . ?
C26 C27 H27 120.2 . . ?
C25 C26 C27 120.9(3) . . ?
C25 C26 H26 119.6 . . ?
C27 C26 H26 119.6 . . ?
O5 C46 H46A 109.5 . . ?
O5 C46 H46B 109.5 . . ?
O5 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C56 C57 H57 118.8 . . ?
C58 C57 H57 118.8 . . ?
C58 C57 C56 122.4(2) . . ?
C79 C72 C73 115.3(2) . . ?
C79 C72 B1 120.48(18) . . ?
C73 C72 B1 124.0(2) . . ?
C72 C79 H79 118.5 . . ?
C77 C79 C72 122.9(2) . . ?
C77 C79 H79 118.5 . . ?
C79 C77 C76 120.5(2) . . ?
C79 C77 C78 119.0(2) . . ?
C76 C77 C78 120.5(2) . . ?
C77 C76 H76 121.1 . . ?
C74 C76 C77 117.7(2) . . ?
C74 C76 H76 121.1 . . ?
C76 C74 C73 121.8(2) . . ?
C76 C74 C75 119.7(3) . . ?
C73 C74 C75 118.4(3) . . ?
C72 C73 H73 119.2 . . ?
C74 C73 C72 121.7(2) . . ?
C74 C73 H73 119.2 . . ?
F1 C78 F3 103.4(4) . . ?
F1 C78 C77 111.2(3) . . ?
F1A C78 F2A 107.2(5) . . ?
F1A C78 F3A 105.6(4) . . ?
F1A C78 C77 113.9(3) . . ?
F2 C78 F1 108.0(5) . . ?
F2 C78 F3 105.2(4) . . ?
F2 C78 C77 115.1(3) . . ?
F2A C78 F3A 105.8(5) . . ?
F2A C78 C77 111.3(3) . . ?
F3 C78 C77 113.2(3) . . ?
F3A C78 C77 112.6(3) . . ?
F4 C75 F5 103.9(5) . . ?
F4 C75 F6 108.9(6) . . ?
F4 C75 C74 114.7(3) . . ?
F4A C75 C74 109.6(4) . . ?
F5 C75 C74 109.2(4) . . ?
F5A C75 F4A 106.9(5) . . ?
F5A C75 F6A 107.8(6) . . ?
F5A C75 C74 115.5(5) . . ?
F6 C75 F5 105.6(5) . . ?
F6 C75 C74 113.6(5) . . ?
F6A C75 F4A 103.8(5) . . ?
F6A C75 C74 112.6(5) . . ?
C57 C56 B1 119.55(19) . . ?
C63 C56 C57 115.5(2) . . ?
C63 C56 B1 124.67(19) . . ?
C56 C63 H63 118.9 . . ?
C61 C63 C56 122.1(2) . . ?
C61 C63 H63 118.9 . . ?
C63 C61 C62 119.5(2) . . ?
C60 C61 C63 121.1(2) . . ?
C60 C61 C62 119.4(2) . . ?
C61 C60 H60 121.1 . . ?
C61 C60 C58 117.9(2) . . ?
C58 C60 H60 121.1 . . ?
C57 C58 C59 119.3(2) . . ?
C60 C58 C57 120.9(2) . . ?
C60 C58 C59 119.8(2) . . ?
F7 C62 F9 104.9(4) . . ?
F7 C62 C61 114.1(4) . . ?
F7A C62 F8A 100.2(6) . . ?
F7A C62 C61 111.3(6) . . ?
F8 C62 F7 110.7(5) . . ?
F8 C62 F9 103.3(3) . . ?
F8 C62 C61 112.5(3) . . ?
F8A C62 C61 109.9(4) . . ?
F9 C62 C61 110.5(3) . . ?
F9A C62 F7A 109.9(8) . . ?
F9A C62 F8A 106.6(6) . . ?
F9A C62 C61 117.5(5) . . ?
F10 C59 C58 111.5(3) . . ?
F10A C59 F12A 92.6(7) . . ?
F10A C59 C58 113.6(4) . . ?
F11 C59 F10 102.7(3) . . ?
F11 C59 C58 110.3(3) . . ?
F11A C59 F10A 117.5(8) . . ?
F11A C59 F12A 99.1(10) . . ?
F11A C59 C58 121.8(9) . . ?
F12 C59 F10 109.9(3) . . ?
F12 C59 F11 106.5(5) . . ?
F12 C59 C58 115.2(3) . . ?
C58 C59 F12A 104.7(5) . . ?
C55 C48 C49 115.8(2) . . ?
C55 C48 B1 123.5(2) . . ?
C49 C48 B1 120.5(2) . . ?
C48 C55 H55 119.0 . . ?
C53 C55 C48 121.9(2) . . ?
C53 C55 H55 119.0 . . ?
C55 C53 C54 119.7(3) . . ?
C52 C53 C55 121.2(2) . . ?
C52 C53 C54 119.0(2) . . ?
C53 C52 H52 120.9 . . ?
C53 C52 C50 118.1(2) . . ?
C50 C52 H52 120.9 . . ?
C52 C50 C49 120.8(3) . . ?
C52 C50 C51 118.6(3) . . ?
C49 C50 C51 120.6(3) . . ?
C48 C49 H49 119.0 . . ?
C50 C49 C48 122.1(2) . . ?
C50 C49 H49 119.0 . . ?
F13 C54 F14 110.3(4) . . ?
F13 C54 F15 108.7(4) . . ?
F13 C54 C53 114.9(3) . . ?
F13A C54 C53 110.1(3) . . ?
F14 C54 F15 102.4(4) . . ?
F14 C54 C53 110.1(3) . . ?
F14A C54 F13A 103.2(6) . . ?
F14A C54 F15A 108.5(6) . . ?
F14A C54 C53 117.7(4) . . ?
F15 C54 C53 109.7(3) . . ?
F15A C54 F13A 100.0(6) . . ?
F15A C54 C53 115.2(4) . . ?
F16 C51 F18 104.4(3) . . ?
F16 C51 C50 111.7(3) . . ?
F17 C51 F16 108.1(4) . . ?
F17 C51 F18 107.7(4) . . ?
F17 C51 C50 113.6(3) . . ?
F18 C51 C50 110.8(4) . . ?
C71 C64 C65 115.50(19) . . ?
C71 C64 B1 122.89(19) . . ?
C65 C64 B1 121.50(19) . . ?
C64 C71 H71 118.8 . . ?
C64 C71 C69 122.4(2) . . ?
C69 C71 H71 118.8 . . ?
C71 C69 C70 118.9(2) . . ?
C68 C69 C71 120.7(2) . . ?
C68 C69 C70 120.5(2) . . ?
C69 C68 H68 120.9 . . ?
C69 C68 C66 118.2(2) . . ?
C66 C68 H68 120.9 . . ?
C68 C66 C65 121.0(2) . . ?
C68 C66 C67 118.3(2) . . ?
C65 C66 C67 120.7(2) . . ?
C64 C65 H65 119.0 . . ?
C66 C65 C64 122.0(2) . . ?
C66 C65 H65 119.0 . . ?
F19 C70 F20 102.3(3) . . ?
F19 C70 C69 112.4(3) . . ?
F20 C70 C69 111.5(3) . . ?
F21 C70 F19 108.7(3) . . ?
F21 C70 F20 107.0(3) . . ?
F21 C70 C69 114.2(2) . . ?
F22 C67 F23 107.5(2) . . ?
F22 C67 F24 106.1(2) . . ?
F22 C67 C66 113.4(2) . . ?
F23 C67 F24 105.5(2) . . ?
F23 C67 C66 112.5(2) . . ?
F24 C67 C66 111.3(2) . . ?
C72 B1 C48 112.60(18) . . ?
C72 B1 C64 110.66(17) . . ?
C56 B1 C72 103.20(17) . . ?
C56 B1 C48 111.48(17) . . ?
C56 B1 C64 113.85(17) . . ?
C48 B1 C64 105.27(17) . . ?
C5A O2A C44A 118.7(10) . . ?
O2A C5A C6 113.1(10) . . ?
O2A C5A C4A 124.5(10) . . ?
C4A C5A C6 122.4(10) . . ?
C5A C4A H4A 119.7 . . ?
C3A C4A C5A 120.5(9) . . ?
C3A C4A H4A 119.7 . . ?
C4A C3A H3A 119.7 . . ?
C4A C3A C2A 120.5(9) . . ?
C2A C3A H3A 119.7 . . ?
C3A C2A H2A 121.6 . . ?
C3A C2A C1A 116.8(12) . . ?
C1A C2A H2A 121.6 . . ?
C6 C1A H1A 116.8 . . ?
C2A C1A C6 126.4(15) . . ?
C2A C1A H1A 116.8 . . ?
O2A C44A H44D 109.5 . . ?
O2A C44A H44E 109.5 . . ?
O2A C44A H44F 109.5 . . ?
H44D C44A H44E 109.5 . . ?
H44D C44A H44F 109.5 . . ?
H44E C44A H44F 109.5 . . ?
O1 C18A C17A 130.9(9) . . ?
C13 C18A O1 112.0(8) . . ?
C13 C18A C17A 116.8(9) . . ?
C13 C14A H14A 118.2 . . ?
C15A C14A C13 123.6(12) . . ?
C15A C14A H14A 118.2 . . ?
C14A C15A H15A 121.2 . . ?
C16A C15A C14A 117.6(10) . . ?
C16A C15A H15A 121.2 . . ?
C15A C16A H16A 120.1 . . ?
C15A C16A C17A 119.8(8) . . ?
C17A C16A H16A 120.1 . . ?
C18A C17A H17A 118.3 . . ?
C16A C17A C18A 123.4(9) . . ?
C16A C17A H17A 118.3 . . ?
C30 O5A C46A 130(2) . . ?
O5A C46A H46D 109.5 . . ?
O5A C46A H46E 109.5 . . ?
O5A C46A H46F 109.5 . . ?
H46D C46A H46E 109.5 . . ?
H46D C46A H46F 109.5 . . ?
H46E C46A H46F 109.5 . . ?
C12 O3 C45 115.7(8) . . ?
O3 C45 H45D 109.5 . . ?
O3 C45 H45E 109.5 . . ?
O3 C45 H45F 109.5 . . ?
H45D C45 H45E 109.5 . . ?
H45D C45 H45F 109.5 . . ?
H45E C45 H45F 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Rh1 P1 C24 C19 33.6(3) . . . . ?
Rh1 P1 C24 C23 -142.51(19) . . . . ?
Rh1 P1 C31 C36 44.7(2) . . . . ?
Rh1 P1 C31 C32 -136.6(2) . . . . ?
Rh1 P1 C25 C30 73.7(2) . . . . ?
Rh1 P1 C25 C26 -104.9(2) . . . . ?
Rh1 P2 C13 C18 61.9(9) . . . . ?
Rh1 P2 C13 C14 -130.4(7) . . . . ?
Rh1 P2 C13 C18A 53.0(11) . . . . ?
Rh1 P2 C13 C14A -112.4(8) . . . . ?
Rh1 P2 C6 C5 179.9(8) . . . . ?
Rh1 P2 C6 C1 -9.4(10) . . . . ?
Rh1 P2 C6 C5A 170.0(11) . . . . ?
Rh1 P2 C6 C1A 0.6(13) . . . . ?
Rh1 P2 C7 C12 68.7(2) . . . . ?
Rh1 P2 C7 C8 -101.9(2) . . . . ?
Rh1 C37 C38 C39 90.40(18) . . . . ?
Rh1 C37 C42 C41 -3.6(2) . . . . ?
Rh1 C37 C42 C43 -106.36(19) . . . . ?
Rh1 C38 C39 C40 3.4(2) . . . . ?
Rh1 C38 C39 C43 106.02(19) . . . . ?
Rh1 C40 C41 C42 92.46(16) . . . . ?
Rh1 C41 C42 C37 3.6(2) . . . . ?
Rh1 C41 C42 C43 106.72(18) . . . . ?
P1 C24 C19 O1 3.8(4) . . . . ?
P1 C24 C19 C20 -173.4(3) . . . . ?
P1 C24 C23 C22 174.9(2) . . . . ?
P1 C31 C36 O4 -0.9(4) . . . . ?
P1 C31 C36 C35 176.7(3) . . . . ?
P1 C31 C32 C33 -178.4(3) . . . . ?
P1 C25 C30 O5 1.9(16) . . . . ?
P1 C25 C30 C29 -178.4(2) . . . . ?
P1 C25 C30 O5A 4(3) . . . . ?
P1 C25 C26 C27 178.3(2) . . . . ?
P2 C13 C14 C15 -176.8(7) . . . . ?
P2 C13 C18A O1 14(2) . . . . ?
P2 C13 C18A C17A -171.6(11) . . . . ?
P2 C13 C14A C15A 170.0(9) . . . . ?
P2 C6 C5 O2 -8.1(16) . . . . ?
P2 C6 C5 C4 173.6(8) . . . . ?
P2 C6 C1 C2 -175.4(10) . . . . ?
P2 C6 C5A O2A 7(2) . . . . ?
P2 C6 C5A C4A -173.6(11) . . . . ?
P2 C6 C1A C2A 172.2(16) . . . . ?
P2 C7 C12 O3A 10.6(12) . . . . ?
P2 C7 C12 C11 -172.4(2) . . . . ?
P2 C7 C12 O3 2.1(10) . . . . ?
P2 C7 C8 C9 172.9(2) . . . . ?
O1 C19 C20 C21 -179.0(3) . . . . ?
O1 C18 C13 P2 -2.1(16) . . . . ?
O1 C18 C13 C14 -171.0(10) . . . . ?
O1 C18 C17 C16 177.3(11) . . . . ?
O1 C18A C17A C16A 177.1(17) . . . . ?
O2 C5 C4 C3 -177.4(14) . . . . ?
O3A C12 C11 C10 176.8(14) . . . . ?
O4 C36 C35 C34 179.6(4) . . . . ?
O5 C30 C29 C28 179.6(17) . . . . ?
C37 C38 C39 C40 -68.8(3) . . . . ?
C37 C38 C39 C43 33.9(3) . . . . ?
C37 C42 C43 C39 50.8(2) . . . . ?
C38 C37 C42 C41 69.5(3) . . . . ?
C38 C37 C42 C43 -33.3(3) . . . . ?
C38 C39 C40 Rh1 -3.5(2) . . . . ?
C38 C39 C40 C41 69.2(3) . . . . ?
C38 C39 C43 C42 -51.2(2) . . . . ?
C39 C40 C41 Rh1 -92.43(17) . . . . ?
C39 C40 C41 C42 0.0(2) . . . . ?
C40 C39 C43 C42 52.2(2) . . . . ?
C40 C41 C42 C37 -68.9(3) . . . . ?
C40 C41 C42 C43 34.2(2) . . . . ?
C41 C42 C43 C39 -52.3(2) . . . . ?
C42 C37 C38 Rh1 -90.73(17) . . . . ?
C42 C37 C38 C39 -0.3(3) . . . . ?
C43 C39 C40 Rh1 -106.82(19) . . . . ?
C43 C39 C40 C41 -34.2(3) . . . . ?
C24 P1 C31 C36 -179.3(2) . . . . ?
C24 P1 C31 C32 -0.6(3) . . . . ?
C24 P1 C25 C30 -61.9(2) . . . . ?
C24 P1 C25 C26 119.5(2) . . . . ?
C24 C19 C20 C21 -1.8(5) . . . . ?
C19 O1 C18 C13 -141.3(9) . . . . ?
C19 O1 C18 C17 39.6(15) . . . . ?
C19 O1 C18A C13 -150.8(11) . . . . ?
C19 O1 C18A C17A 36(2) . . . . ?
C19 C24 C23 C22 -1.4(4) . . . . ?
C19 C20 C21 C22 -0.8(6) . . . . ?
C20 C21 C22 C23 2.2(6) . . . . ?
C21 C22 C23 C24 -1.1(5) . . . . ?
C23 C24 C19 O1 -179.9(3) . . . . ?
C23 C24 C19 C20 2.9(5) . . . . ?
C18 O1 C19 C24 90.5(8) . . . . ?
C18 O1 C19 C20 -92.2(8) . . . . ?
C18 C13 C14 C15 -9.5(15) . . . . ?
C13 P2 C6 C5 -47.3(8) . . . . ?
C13 P2 C6 C1 123.4(10) . . . . ?
C13 P2 C6 C5A -57.1(11) . . . . ?
C13 P2 C6 C1A 133.5(13) . . . . ?
C13 P2 C7 C12 -66.0(2) . . . . ?
C13 P2 C7 C8 123.5(2) . . . . ?
C13 C18 C17 C16 -1.6(19) . . . . ?
C13 C14 C15 C16 5.6(15) . . . . ?
C13 C18A C17A C16A 4(2) . . . . ?
C13 C14A C15A C16A -2.2(17) . . . . ?
C14 C15 C16 C17 0.9(15) . . . . ?
C15 C16 C17 C18 -2.9(14) . . . . ?
C17 C18 C13 P2 176.9(11) . . . . ?
C17 C18 C13 C14 7.9(19) . . . . ?
C6 P2 C13 C18 -63.1(8) . . . . ?
C6 P2 C13 C14 104.6(7) . . . . ?
C6 P2 C13 C18A -72.0(11) . . . . ?
C6 P2 C13 C14A 122.6(8) . . . . ?
C6 P2 C7 C12 -173.9(2) . . . . ?
C6 P2 C7 C8 15.5(2) . . . . ?
C6 C5 C4 C3 0.8(16) . . . . ?
C6 C5A C4A C3A 3(2) . . . . ?
C5 C6 C1 C2 -5(2) . . . . ?
C5 C4 C3 C2 -2.5(13) . . . . ?
C4 C3 C2 C1 0.3(15) . . . . ?
C3 C2 C1 C6 3(2) . . . . ?
C1 C6 C5 O2 -178.6(15) . . . . ?
C1 C6 C5 C4 3.1(19) . . . . ?
C44 O2 C5 C6 -165.9(15) . . . . ?
C44 O2 C5 C4 12(2) . . . . ?
C7 P2 C13 C18 -171.4(8) . . . . ?
C7 P2 C13 C14 -3.7(7) . . . . ?
C7 P2 C13 C18A 179.7(11) . . . . ?
C7 P2 C13 C14A 14.3(8) . . . . ?
C7 P2 C6 C5 63.4(8) . . . . ?
C7 P2 C6 C1 -125.9(10) . . . . ?
C7 P2 C6 C5A 53.5(11) . . . . ?
C7 P2 C6 C1A -115.9(13) . . . . ?
C7 C12 C11 C10 0.3(5) . . . . ?
C7 C12 O3 C45 169.4(10) . . . . ?
C12 C7 C8 C9 2.1(4) . . . . ?
C12 C11 C10 C9 0.3(6) . . . . ?
C11 C12 O3 C45 -16.2(18) . . . . ?
C11 C10 C9 C8 0.3(5) . . . . ?
C10 C9 C8 C7 -1.5(5) . . . . ?
C8 C7 C12 O3A -178.5(12) . . . . ?
C8 C7 C12 C11 -1.5(4) . . . . ?
C8 C7 C12 O3 173.1(9) . . . . ?
C45A O3A C12 C7 145.0(17) . . . . ?
C45A O3A C12 C11 -32(3) . . . . ?
C31 P1 C24 C19 -93.2(2) . . . . ?
C31 P1 C24 C23 90.7(2) . . . . ?
C31 P1 C25 C30 -168.5(2) . . . . ?
C31 P1 C25 C26 12.9(3) . . . . ?
C31 C36 C35 C34 2.2(6) . . . . ?
C36 C31 C32 C33 0.3(5) . . . . ?
C36 C35 C34 C33 -0.7(7) . . . . ?
C35 C34 C33 C32 -1.0(7) . . . . ?
C34 C33 C32 C31 1.2(6) . . . . ?
C32 C31 C36 O4 -179.7(3) . . . . ?
C32 C31 C36 C35 -2.0(5) . . . . ?
C47 O4 C36 C31 176.7(4) . . . . ?
C47 O4 C36 C35 -0.8(5) . . . . ?
C25 P1 C24 C19 160.7(2) . . . . ?
C25 P1 C24 C23 -15.5(3) . . . . ?
C25 P1 C31 C36 -74.2(2) . . . . ?
C25 P1 C31 C32 104.5(3) . . . . ?
C25 C30 C29 C28 -0.1(5) . . . . ?
C25 C30 O5A C46A 138(5) . . . . ?
C30 C25 C26 C27 -0.3(4) . . . . ?
C30 C29 C28 C27 -0.2(5) . . . . ?
C29 C30 O5A C46A -39(8) . . . . ?
C29 C28 C27 C26 0.2(5) . . . . ?
C28 C27 C26 C25 0.1(5) . . . . ?
C26 C25 C30 O5 -179.4(15) . . . . ?
C26 C25 C30 C29 0.3(4) . . . . ?
C26 C25 C30 O5A -177(3) . . . . ?
C46 O5 C30 C25 170.8(15) . . . . ?
C46 O5 C30 C29 -9(3) . . . . ?
C57 C56 C63 C61 -1.6(3) . . . . ?
C57 C56 B1 C72 -72.9(2) . . . . ?
C57 C56 B1 C48 48.2(3) . . . . ?
C57 C56 B1 C64 167.1(2) . . . . ?
C57 C58 C59 F10 151.9(3) . . . . ?
C57 C58 C59 F10A -160.6(8) . . . . ?
C57 C58 C59 F11 38.5(5) . . . . ?
C57 C58 C59 F11A 49.7(11) . . . . ?
C57 C58 C59 F12 -82.0(5) . . . . ?
C57 C58 C59 F12A -61.1(5) . . . . ?
C72 C79 C77 C76 -1.1(4) . . . . ?
C72 C79 C77 C78 179.6(2) . . . . ?
C79 C72 C73 C74 -2.2(3) . . . . ?
C79 C72 B1 C56 -80.3(2) . . . . ?
C79 C72 B1 C48 159.4(2) . . . . ?
C79 C72 B1 C64 41.9(3) . . . . ?
C79 C77 C76 C74 -1.1(4) . . . . ?
C79 C77 C78 F1 74.3(5) . . . . ?
C79 C77 C78 F1A 36.7(5) . . . . ?
C79 C77 C78 F2 -162.5(5) . . . . ?
C79 C77 C78 F2A -84.6(6) . . . . ?
C79 C77 C78 F3 -41.5(5) . . . . ?
C79 C77 C78 F3A 156.9(4) . . . . ?
C77 C76 C74 C73 1.6(4) . . . . ?
C77 C76 C74 C75 -179.5(3) . . . . ?
C76 C77 C78 F1 -104.9(5) . . . . ?
C76 C77 C78 F1A -142.5(5) . . . . ?
C76 C77 C78 F2 18.2(6) . . . . ?
C76 C77 C78 F2A 96.2(5) . . . . ?
C76 C77 C78 F3 139.2(4) . . . . ?
C76 C77 C78 F3A -22.4(5) . . . . ?
C76 C74 C73 C72 0.1(4) . . . . ?
C76 C74 C75 F4 -150.9(7) . . . . ?
C76 C74 C75 F4A -115.5(6) . . . . ?
C76 C74 C75 F5 92.9(5) . . . . ?
C76 C74 C75 F5A 123.8(8) . . . . ?
C76 C74 C75 F6 -24.8(7) . . . . ?
C76 C74 C75 F6A -0.5(7) . . . . ?
C73 C72 C79 C77 2.7(3) . . . . ?
C73 C72 B1 C56 93.6(2) . . . . ?
C73 C72 B1 C48 -26.8(3) . . . . ?
C73 C72 B1 C64 -144.3(2) . . . . ?
C73 C74 C75 F4 28.0(8) . . . . ?
C73 C74 C75 F4A 63.4(7) . . . . ?
C73 C74 C75 F5 -88.2(5) . . . . ?
C73 C74 C75 F5A -57.3(8) . . . . ?
C73 C74 C75 F6 154.2(6) . . . . ?
C73 C74 C75 F6A 178.4(6) . . . . ?
C78 C77 C76 C74 178.1(2) . . . . ?
C75 C74 C73 C72 -178.8(3) . . . . ?
C56 C57 C58 C60 -0.3(4) . . . . ?
C56 C57 C58 C59 178.7(2) . . . . ?
C56 C63 C61 C60 0.5(4) . . . . ?
C56 C63 C61 C62 178.9(2) . . . . ?
C63 C56 B1 C72 100.5(2) . . . . ?
C63 C56 B1 C48 -138.4(2) . . . . ?
C63 C56 B1 C64 -19.5(3) . . . . ?
C63 C61 C60 C58 0.7(4) . . . . ?
C63 C61 C62 F7 25.6(5) . . . . ?
C63 C61 C62 F7A 44.1(6) . . . . ?
C63 C61 C62 F8 -101.7(5) . . . . ?
C63 C61 C62 F8A -65.9(5) . . . . ?
C63 C61 C62 F9 143.5(3) . . . . ?
C63 C61 C62 F9A 172.0(8) . . . . ?
C61 C60 C58 C57 -0.8(4) . . . . ?
C61 C60 C58 C59 -179.7(3) . . . . ?
C60 C61 C62 F7 -156.0(5) . . . . ?
C60 C61 C62 F7A -137.5(6) . . . . ?
C60 C61 C62 F8 76.7(5) . . . . ?
C60 C61 C62 F8A 112.5(5) . . . . ?
C60 C61 C62 F9 -38.1(4) . . . . ?
C60 C61 C62 F9A -9.6(9) . . . . ?
C60 C58 C59 F10 -29.1(4) . . . . ?
C60 C58 C59 F10A 18.4(8) . . . . ?
C60 C58 C59 F11 -142.5(4) . . . . ?
C60 C58 C59 F11A -131.3(11) . . . . ?
C60 C58 C59 F12 97.0(4) . . . . ?
C60 C58 C59 F12A 117.9(5) . . . . ?
C58 C57 C56 C63 1.4(3) . . . . ?
C58 C57 C56 B1 175.5(2) . . . . ?
C62 C61 C60 C58 -177.7(2) . . . . ?
C48 C55 C53 C52 -1.0(4) . . . . ?
C48 C55 C53 C54 176.6(2) . . . . ?
C55 C48 C49 C50 -1.2(4) . . . . ?
C55 C48 B1 C72 138.4(2) . . . . ?
C55 C48 B1 C56 23.0(3) . . . . ?
C55 C48 B1 C64 -100.9(2) . . . . ?
C55 C53 C52 C50 0.3(5) . . . . ?
C55 C53 C54 F13 17.8(5) . . . . ?
C55 C53 C54 F13A -34.0(6) . . . . ?
C55 C53 C54 F14 -107.5(4) . . . . ?
C55 C53 C54 F14A -151.8(6) . . . . ?
C55 C53 C54 F15 140.6(4) . . . . ?
C55 C53 C54 F15A 78.2(6) . . . . ?
C53 C52 C50 C49 -0.1(5) . . . . ?
C53 C52 C50 C51 179.9(3) . . . . ?
C52 C53 C54 F13 -164.6(4) . . . . ?
C52 C53 C54 F13A 143.6(5) . . . . ?
C52 C53 C54 F14 70.1(5) . . . . ?
C52 C53 C54 F14A 25.8(7) . . . . ?
C52 C53 C54 F15 -41.8(5) . . . . ?
C52 C53 C54 F15A -104.2(6) . . . . ?
C52 C50 C49 C48 0.5(5) . . . . ?
C52 C50 C51 F16 -47.3(5) . . . . ?
C52 C50 C51 F17 -170.0(4) . . . . ?
C52 C50 C51 F18 68.6(4) . . . . ?
C49 C48 C55 C53 1.4(3) . . . . ?
C49 C48 B1 C72 -45.7(3) . . . . ?
C49 C48 B1 C56 -161.1(2) . . . . ?
C49 C48 B1 C64 75.0(3) . . . . ?
C49 C50 C51 F16 132.6(4) . . . . ?
C49 C50 C51 F17 10.0(6) . . . . ?
C49 C50 C51 F18 -111.4(4) . . . . ?
C54 C53 C52 C50 -177.3(3) . . . . ?
C51 C50 C49 C48 -179.4(3) . . . . ?
C64 C71 C69 C68 -0.9(4) . . . . ?
C64 C71 C69 C70 178.9(3) . . . . ?
C71 C64 C65 C66 -3.2(3) . . . . ?
C71 C64 B1 C72 24.3(3) . . . . ?
C71 C64 B1 C56 140.0(2) . . . . ?
C71 C64 B1 C48 -97.7(2) . . . . ?
C71 C69 C68 C66 -1.9(4) . . . . ?
C71 C69 C70 F19 -52.9(4) . . . . ?
C71 C69 C70 F20 61.3(4) . . . . ?
C71 C69 C70 F21 -177.3(3) . . . . ?
C69 C68 C66 C65 2.1(4) . . . . ?
C69 C68 C66 C67 -176.9(3) . . . . ?
C68 C69 C70 F19 126.9(3) . . . . ?
C68 C69 C70 F20 -118.9(3) . . . . ?
C68 C69 C70 F21 2.5(5) . . . . ?
C68 C66 C65 C64 0.5(4) . . . . ?
C68 C66 C67 F22 -164.2(3) . . . . ?
C68 C66 C67 F23 -41.9(4) . . . . ?
C68 C66 C67 F24 76.3(3) . . . . ?
C65 C64 C71 C69 3.3(4) . . . . ?
C65 C64 B1 C72 -159.9(2) . . . . ?
C65 C64 B1 C56 -44.2(3) . . . . ?
C65 C64 B1 C48 78.2(2) . . . . ?
C65 C66 C67 F22 16.8(4) . . . . ?
C65 C66 C67 F23 139.1(3) . . . . ?
C65 C66 C67 F24 -102.7(3) . . . . ?
C70 C69 C68 C66 178.3(3) . . . . ?
C67 C66 C65 C64 179.5(2) . . . . ?
B1 C72 C79 C77 177.1(2) . . . . ?
B1 C72 C73 C74 -176.3(2) . . . . ?
B1 C56 C63 C61 -175.3(2) . . . . ?
B1 C48 C55 C53 177.5(2) . . . . ?
B1 C48 C49 C50 -177.4(3) . . . . ?
B1 C64 C71 C69 179.4(2) . . . . ?
B1 C64 C65 C66 -179.3(2) . . . . ?
O2A C5A C4A C3A -177.3(18) . . . . ?
C5A C6 C1A C2A 1(3) . . . . ?
C5A C4A C3A C2A -0.6(18) . . . . ?
C4A C3A C2A C1A -1.4(18) . . . . ?
C3A C2A C1A C6 1(3) . . . . ?
C1A C6 C5A O2A 177.0(18) . . . . ?
C1A C6 C5A C4A -4(2) . . . . ?
C44A O2A C5A C6 -173.2(18) . . . . ?
C44A O2A C5A C4A 7(3) . . . . ?
C18A O1 C19 C24 84.5(10) . . . . ?
C18A O1 C19 C20 -98.2(10) . . . . ?
C18A C13 C14A C15A 4.9(19) . . . . ?
C14A C13 C18A O1 -179.9(11) . . . . ?
C14A C13 C18A C17A -5(2) . . . . ?
C14A C15A C16A C17A 0.3(16) . . . . ?
C15A C16A C17A C18A -1.3(18) . . . . ?
O5A C30 C29 C28 177(3) . . . . ?
O3 C12 C11 C10 -173.9(10) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;

loop_
_publcif_info_exptl_table_extra_item
sin_theta_over_lambda_max

loop_
_publcif_info_exptl_table_header_item
?



_publcif_funding_html            
;
;
####################################################################### 
# 
# 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-Me
_database_code_depnum_ccdc_archive 'CCDC 2064127'
loop_
_audit_author_name
_audit_author_address
'Timothy M. Boyd'
;University of Oxford
United Kingdom
;

_audit_update_record             
;
2021-02-21 deposited with the CCDC.	2021-05-25 downloaded from the CCDC.
;
_publcif_datablock.id            {dca5f9aa-b3b0-4209-86a2-cdc29cbc6040}
_audit_creation_date             2020-09-21
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C47 H44 O P2 Rh, C32 H12 B F24'
_chemical_formula_sum            'C79 H56 B F24 O P2 Rh'
_chemical_formula_weight         1652.89
_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'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.1702(2)
_cell_length_b                   15.7363(3)
_cell_length_c                   17.8817(3)
_cell_angle_alpha                81.607(2)
_cell_angle_beta                 84.6750(10)
_cell_angle_gamma                84.5080(10)
_cell_volume                     3637.75(11)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    42365
_cell_measurement_temperature    150.01(10)
_cell_measurement_theta_max      76.5560
_cell_measurement_theta_min      2.5040
_shelx_estimated_absorpt_T_max   0.623
_shelx_estimated_absorpt_T_min   0.561
_exptl_absorpt_coefficient_mu    3.271
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.78235
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46e (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.509
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             1668
_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  0.0457
_diffrn_reflns_av_unetI/netI     0.0276
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            68981
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.684
_diffrn_reflns_theta_min         2.506
_diffrn_ambient_temperature      150.15
_diffrn_detector_area_resol_mean 10.5035
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -98.00 -69.00   1.00    1.00    --    0.00-178.00  30.00   29
  2  ω    -89.00 -43.00   1.00    1.00    --    0.00 178.00  60.00   46
  3  ω    -61.00 -36.00   1.00    1.00    --    0.00-178.00  30.00   25
  4  ω    -37.00  42.00   1.00    1.00    --    0.00  57.00 -30.00   79
  5  ω     50.00  91.00   1.00    1.00    --    0.00  57.00 -30.00   41
  6  ω    -32.00  29.00   1.00    3.00    --  -60.50  30.00  90.00   61
  7  ω    -30.00  29.00   1.00    3.00    --  -60.50  30.00-120.00   59
  8  ω   -145.00 -79.00   1.00    3.00    --  -60.50-125.00-120.00   66
  9  ω   -122.00 -93.00   1.00    3.00    --  -60.50 -94.00 -30.00   29
 10  ω    -83.00 -34.00   1.00    3.00    --  -60.50 125.00  30.00   49
 11  ω     35.00 116.00   1.00    3.00    --   60.50-125.00   0.00   81
 12  ω    -14.00  91.00   1.00    3.00    --   60.50 -30.00-150.00  105
 13  ω    100.00 152.00   1.00    3.00    --   60.50 125.00-120.00   52
 14  ω     96.00 150.00   1.00    3.00    --   60.50 125.00 -60.00   54
 15  ω    -40.00   6.00   1.00    3.00    --   60.50 -77.00-180.00   46
 16  ω    103.00 128.00   1.00    3.00    --   60.50 125.00-180.00   25
 17  ω     41.00  95.00   1.00    3.00    --   60.50 -77.00-180.00   54
 18  ω     76.00 112.00   1.00    6.00    --  121.00-111.00 -60.00   36
 19  ω     32.00  78.00   1.00    6.00    --  121.00 -37.00 150.00   46
 20  ω     35.00  60.00   1.00    6.00    --  121.00-111.00 -60.00   25
 21  ω     77.00 112.00   1.00    6.00    --  121.00-111.00-180.00   35
 22  ω     61.00 111.00   1.00    6.00    --  121.00-111.00  60.00   50
 23  ω     51.00 104.00   1.00    6.00    --  121.00 -50.00 -90.00   53
 24  ω     78.00 146.00   1.00    6.00    --  121.00 178.00 -60.00   68
 25  ω     62.00  88.00   1.00    6.00    --  121.00-111.00 -30.00   26
 26  ω     41.00  80.00   1.00    6.00    --  121.00 -25.00 -30.00   39
 27  ω     43.00  84.00   1.00    6.00    --  121.00 -37.00 -60.00   41
 28  ω     82.00 108.00   1.00    6.00    --  121.00-111.00 120.00   26
 29  ω     73.00 111.00   1.00    6.00    --  121.00-111.00   0.00   38
 30  ω     30.00  67.00   1.00    6.00    --  121.00 -37.00  30.00   37
 31  ω     29.00 110.00   1.00    6.00    --  121.00-111.00 -90.00   81
 32  ω     34.00  60.00   1.00    6.00    --  121.00-111.00 120.00   26
 33  ω     86.00 112.00   1.00    6.00    --  121.00-111.00 150.00   26
 34  ω     62.00  89.00   1.00    6.00    --  121.00 -50.00 150.00   27
 35  ω     32.00  94.00   1.00    6.00    --  121.00 -25.00-120.00   62
 36  ω     64.00  89.00   1.00    6.00    --  121.00-111.00  30.00   25
 37  ω     41.00  99.00   1.00    6.00    --  121.00 -50.00-150.00   58
 38  ω     74.00 170.00   1.00    6.00    --  121.00  37.00 150.00   96
 39  ω     44.00  70.00   1.00    6.00    --  121.00 -50.00  90.00   26
 40  ω     24.00 173.00   1.00    6.00    --  121.00   0.00 -60.00  149
 41  ω     80.00 105.00   1.00    6.00    --  121.00 -50.00 -60.00   25
 42  ω    114.00 175.00   1.00    6.00    --  121.00 111.00 -60.00   61
 43  ω     50.00 149.00   1.00    6.00    --  121.00 -63.00  30.00   99
 44  ω    -46.00 -21.00   1.00    3.00    --  -60.50  57.00-142.00   25
 45  ω      6.00  33.00   1.00    1.00    --    0.00 -77.00-150.00   27
 46  ω    -23.00   5.00   1.00    1.00    --    0.00 -77.00-150.00   28
 47  ω   -100.00 -74.00   1.00    1.00    --    0.00 -77.00-150.00   26
 48  ω    -69.00 -29.00   1.00    1.00    --    0.00 -77.00-150.00   40
 49  ω    -99.00 -34.00   1.00    1.00    --    0.00 178.00-150.00   65
 50  ω    -26.00  -1.00   1.00    3.00    --   38.00 122.00 -17.30   25
 51  ω    -23.00   3.00   1.00    3.00    --   38.00 117.00 163.58   26
 52  ω      2.00  27.00   1.00    3.00    --   50.00  92.00  84.19   25
 53  ω      9.00  34.00   1.00    3.00    --   54.00  85.00 129.87   25
 54  ω      8.00  33.00   1.00    3.00    --   54.00  87.00 -25.74   25
 55  ω     16.00  41.00   1.00    3.00    --   60.50  82.00 161.01   25
 56  ω     16.00  41.00   1.00    3.00    --   60.50  81.00 -77.84   25
 57  ω     16.00  45.00   1.00    3.00    --   60.50  82.00  23.18   29
 58  ω     16.00  45.00   1.00    3.00    --   60.50  82.00  84.49   29
 59  ω     17.00  45.00   1.00    3.00    --   60.50  82.00-144.73   28
 60  ω     18.00  43.00   1.00    3.00    --   62.00  82.00-179.20   25
 61  ω     26.00 100.00   1.00    3.00    --   66.00  73.00 -48.10   74
 62  ω     70.00 130.00   1.00    3.00    --   66.00  73.00  -5.32   60
 63  ω     24.00  50.00   1.00    3.00    --   66.00  73.00  -5.32   26
 64  ω     27.00  60.00   1.00    3.00    --   70.00  70.00 135.53   33
 65  ω     75.00 138.00   1.00    3.00    --   70.00  70.00 135.53   63
 66  ω     32.00 119.00   1.00    3.00    --   74.00  72.00-124.73   87
 67  ω     35.00  84.00   1.00    3.00    --   78.00  66.00  99.96   49
 68  ω     41.00  67.00   1.00    3.00    --   82.00  67.00 -38.98   26
 69  ω     39.00  65.00   1.00    3.00    --   82.00  72.00  25.50   26
 70  ω     39.00  65.00   1.00    3.00    --   82.00  76.00 157.82   26
 71  ω     79.00 116.00   1.00    3.00    --   86.00  64.00 -81.04   37
 72  ω     41.00  73.00   1.00    3.00    --   86.00  64.00 -81.04   32
 73  ω     42.00  94.00   1.00    3.00    --   86.00  77.00  43.35   52
 74  ω     43.00  69.00   1.00    3.00    --   86.00  73.00 -11.26   26
 75  ω     45.00  92.00   1.00    3.00    --   90.00  64.00-172.62   47
 76  ω     48.00  97.00   1.00    3.00    --   90.00  72.00 117.39   49
 77  ω     55.00  96.00   1.00    6.00    --   98.00  70.00-170.45   41
 78  ω     58.00 104.00   1.00    6.00    --  102.00  77.00-159.99   46
 79  ω     63.00  90.00   1.00    6.00    --  106.00  75.00 -16.37   27
 80  ω     65.00 111.00   1.00    6.00    --  106.00  53.00  94.85   46
 81  ω     75.00 100.00   1.00    6.00    --  118.00  71.00 125.87   25
 82  ω    113.00 139.00   1.00    6.00    --  121.00  63.00  90.00   26
 83  ω     77.00 102.00   1.00    6.00    --  121.00  63.00  90.00   25
 84  ω     77.00 127.00   1.00    6.00    --  121.00  77.00-150.00   50
 85  ω     77.00 167.00   1.00    6.00    --  121.00  63.00 -30.00   90
 86  ω    140.00 166.00   1.00    6.00    --  121.00  77.00 -90.00   26
 87  ω     77.00 116.00   1.00    6.00    --  121.00  77.00 -90.00   39
 88  ω     77.00 127.00   1.00    6.00    --  121.00  77.00 150.00   50
 89  ω     77.00 149.00   1.00    6.00    --  121.00  77.00   0.00   72
 90  ω     77.00 164.00   1.00    6.00    --  121.00  63.00 -60.00   87
 91  ω     77.00 157.00   1.00    6.00    --  121.00  63.00  60.00   80
 92  ω     78.00 104.00   1.00    6.00    --  121.00  63.00 150.00   26
 93  ω     77.00 123.00   1.00    6.00    --  121.00  77.00-180.00   46
 94  ω     78.00 113.00   1.00    6.00    --  121.00  63.00-120.00   35
 95  ω     77.00 138.00   1.00    6.00    --  121.00  63.00  30.00   61
 96  ω     78.00 122.00   1.00    6.00    --  121.00  74.00-106.99   44
 97  ω     77.00 132.00   1.00    6.00    --  121.00  63.00   0.00   55
 98  ω     80.00 146.00   1.00    6.00    --  121.00  77.00  90.00   66
 99  ω    145.00 178.00   1.00    6.00    --  121.00  77.00-120.00   33
100  ω     77.00 155.00   1.00    6.00    --  121.00  77.00  30.00   78
101  ω     77.00 115.00   1.00    6.00    --  121.00  77.00-120.00   38
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                14437
_reflns_number_total             15179
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.229
_refine_diff_density_min         -0.706
_refine_diff_density_rms         0.070
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1111
_refine_ls_number_reflns         15179
_refine_ls_number_restraints     690
_refine_ls_R_factor_all          0.0438
_refine_ls_R_factor_gt           0.0421
_refine_ls_restrained_S_all      1.130
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0620P)²+3.7532P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1129
_refine_ls_wR_factor_ref         0.1146
_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
2. Restrained distances
 F9-F8 \\sim F9-F7 \\sim F8-F7 \\sim F9A-F8A \\sim F9A-F7A \\sim F8A-F7A
 with sigma of 0.04
 C62-F9 \\sim C62-F8 \\sim C62-F7 \\sim C62-F9A \\sim C62-F8A \\sim C62-F7A
 with sigma of 0.02
 F5A-F6A \\sim F5A-F4A \\sim F5-F6 \\sim F5-F4 \\sim F6A-F4A \\sim F6-F4
 with sigma of 0.04
 C55-F5A \\sim C55-F5 \\sim C55-F6A \\sim C55-F6 \\sim C55-F4 \\sim C55-F4A
 with sigma of 0.02
 F16A-F18A \\sim F16A-F17A \\sim F16-F18 \\sim F16-F17 \\sim F18A-F17A \\sim
F18-F17
 with sigma of 0.04
 C71-F16A \\sim C71-F16 \\sim C71-F18A \\sim C71-F18 \\sim C71-F17A \\sim
C71-F17
 with sigma of 0.02
 F23-F24 \\sim F23-F22 \\sim F24-F22 \\sim F23A-F24A \\sim F23A-F22A \\sim
F24A-F22A
 with sigma of 0.04
 C79-F23 \\sim C79-F24 \\sim C79-F22 \\sim C79-F23A \\sim C79-F24A \\sim
C79-F22A
 with sigma of 0.02
 F13-F14 \\sim F13-F15 \\sim F13A-F14A \\sim F13A-F15A \\sim F14-F15 \\sim
F14A-F15A
 with sigma of 0.04
 C70-F13 \\sim C70-F13A \\sim C70-F14 \\sim C70-F14A \\sim C70-F15 \\sim
C70-F15A
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C62 \\sim F7 \\sim F8 \\sim F9 \\sim F7A \\sim F8A \\sim F9A: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.01 within 2A
C55 \\sim F4 \\sim F5 \\sim F6 \\sim F4A \\sim F5A \\sim F6A: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.01 within 2A
C71 \\sim F16 \\sim F17 \\sim F18 \\sim F16A \\sim F17A \\sim F18A: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.01 within 2A
C79 \\sim F22 \\sim F23 \\sim F24 \\sim F22A \\sim F23A \\sim F24A: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.01 within 2A
C70 \\sim F13 \\sim F14 \\sim F15 \\sim F13A \\sim F14A \\sim F15A: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.01 within 2A
Uanis(F7) = Uanis(F7A)
Uanis(F7A) = Uanis(F7)
4. Rigid body (RIGU) restrains
 C62, F7, F8, F9, F7A, F8A, F9A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C55, F4, F5, F6, F4A, F5A, F6A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C71, F16, F17, F18, F16A, F17A, F18A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C79, F22, F23, F24, F22A, F23A, F24A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C70, F13, F14, F15, F13A, F14A, F15A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Sof(F7A)=Sof(F8A)=Sof(F9A)=1-FVAR(1)
 Sof(F7)=Sof(F8)=Sof(F9)=FVAR(1)
 Sof(F4A)=Sof(F5A)=Sof(F6A)=1-FVAR(2)
 Sof(F4)=Sof(F5)=Sof(F6)=FVAR(2)
 Sof(F16A)=Sof(F17A)=Sof(F18A)=1-FVAR(3)
 Sof(F16)=Sof(F17)=Sof(F18)=FVAR(3)
 Sof(F22A)=Sof(F23A)=Sof(F24A)=1-FVAR(4)
 Sof(F22)=Sof(F23)=Sof(F24)=FVAR(4)
 Sof(F13A)=Sof(F14A)=Sof(F15A)=1-FVAR(5)
 Sof(F13)=Sof(F14)=Sof(F15)=FVAR(5)
6.a Ternary CH refined with riding coordinates:
 C40(H40), C41(H41), C42(H42), C37(H37), C38(H38), C39(H39)
6.b Secondary CH2 refined with riding coordinates:
 C43(H43a,H43b)
6.c Aromatic/amide H refined with riding coordinates:
 C49(H49), C51(H51), C53(H53), C57(H57), C59(H59), C61(H61), C65(H65),
 C67(H67), C69(H69), C73(H73), C75(H75), C77(H77), C17(H17), C16(H16), C15(H15),
  C14(H14), C20(H20), C21(H21), C22(H22), C23(H23), C4(H4), C3(H3), C2(H2),
 C1(H1), C11(H11), C10(H10), C9(H9), C8(H8), C29(H29), C28(H28), C27(H27),
 C26(H26), C35(H35), C34(H34), C33(H33), C32(H32)
6.d Idealised Me refined as rotating group:
 C44(H44a,H44b,H44c), C45(H45a,H45b,H45c), C46(H46a,H46b,H46c), C47(H47a,H47b,
 H47c)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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
Rh1 Rh 0.33163(2) 0.32141(2) 0.32502(2) 0.02314(6) Uani 1 1 d . . . . .
P1 P 0.46232(4) 0.40643(3) 0.26716(3) 0.02314(11) Uani 1 1 d . . . . .
P2 P 0.31527(4) 0.23433(3) 0.22826(3) 0.02224(11) Uani 1 1 d . . . . .
F1 F 0.1482(3) 0.48174(15) 0.61990(19) 0.1226(15) Uani 1 1 d . . . . .
F2 F 0.0153(3) 0.55095(17) 0.65756(18) 0.1107(12) Uani 1 1 d . . . . .
F3 F 0.1469(3) 0.56379(19) 0.7095(2) 0.1243(13) Uani 1 1 d . . . . .
F10 F 0.43999(18) 0.19970(14) 0.95769(10) 0.0623(5) Uani 1 1 d . . . . .
F11 F 0.50176(15) 0.07417(15) 0.93468(11) 0.0621(6) Uani 1 1 d . . . . .
F12 F 0.34935(15) 0.09254(15) 0.98599(10) 0.0599(5) Uani 1 1 d . . . . .
F19 F -0.27328(13) 0.12003(13) 0.80507(12) 0.0554(5) Uani 1 1 d . . . . .
F20 F -0.27062(15) 0.12866(18) 0.92109(13) 0.0723(7) Uani 1 1 d . . . . .
F21 F -0.28822(14) 0.00632(13) 0.88276(13) 0.0598(5) Uani 1 1 d . . . . .
C48 C 0.07295(16) 0.27696(15) 0.78157(14) 0.0261(4) Uani 1 1 d . . . . .
C49 C 0.0985(2) 0.34780(16) 0.72839(17) 0.0363(6) Uani 1 1 d . . . . .
H49 H 0.134136 0.337777 0.681398 0.044 Uiso 1 1 calc R U . . .
C50 C 0.0735(2) 0.43219(18) 0.7421(2) 0.0474(7) Uani 1 1 d . . . . .
C51 C 0.0213(2) 0.44927(17) 0.8104(2) 0.0442(7) Uani 1 1 d . . . . .
H51 H 0.004376 0.506886 0.820148 0.053 Uiso 1 1 calc R U . . .
C52 C -0.00520(19) 0.38043(17) 0.86375(16) 0.0343(5) Uani 1 1 d . . . . .
C53 C 0.02050(17) 0.29589(15) 0.84946(14) 0.0278(5) Uani 1 1 d . . . . .
H53 H 0.001722 0.249739 0.887102 0.033 Uiso 1 1 calc R U . . .
C54 C 0.0985(4) 0.5064(2) 0.6818(3) 0.0798(15) Uani 1 1 d . . . . .
C55 C -0.0653(2) 0.3968(2) 0.93624(19) 0.0477(7) Uani 1 1 d D U . . .
C56 C 0.23479(16) 0.16888(13) 0.77545(12) 0.0225(4) Uani 1 1 d . . . . .
C57 C 0.30809(17) 0.18551(15) 0.71437(13) 0.0268(4) Uani 1 1 d . . . . .
H57 H 0.285601 0.200797 0.664853 0.032 Uiso 1 1 calc R U . . .
C58 C 0.41260(18) 0.18057(17) 0.72321(14) 0.0309(5) Uani 1 1 d . . . . .
C59 C 0.44877(18) 0.15918(17) 0.79436(14) 0.0313(5) Uani 1 1 d . . . . .
H59 H 0.520055 0.153958 0.800582 0.038 Uiso 1 1 calc R U . . .
C60 C 0.37771(18) 0.14561(16) 0.85635(13) 0.0281(5) Uani 1 1 d . . . . .
C61 C 0.27321(17) 0.15063(14) 0.84709(13) 0.0249(4) Uani 1 1 d . . . . .
H61 H 0.226574 0.141391 0.890734 0.030 Uiso 1 1 calc R U . . .
C62 C 0.4861(2) 0.1973(3) 0.65461(16) 0.0514(7) Uani 1 1 d D U . . .
C63 C 0.4170(2) 0.1269(2) 0.93319(15) 0.0389(6) Uani 1 1 d . . . . .
C64 C 0.09136(16) 0.16319(15) 0.67855(13) 0.0249(4) Uani 1 1 d . . . . .
C65 C 0.01263(18) 0.20765(17) 0.63692(14) 0.0321(5) Uani 1 1 d . . . . .
H65 H -0.029790 0.252122 0.657699 0.039 Uiso 1 1 calc R U . . .
C66 C -0.0049(2) 0.18811(19) 0.56558(16) 0.0387(6) Uani 1 1 d . . . . .
C67 C 0.0533(2) 0.12410(19) 0.53282(15) 0.0382(6) Uani 1 1 d . . . . .
H67 H 0.041270 0.111822 0.484087 0.046 Uiso 1 1 calc R U . . .
C68 C 0.1304(2) 0.07795(17) 0.57354(14) 0.0324(5) Uani 1 1 d . . . . .
C69 C 0.14786(18) 0.09709(15) 0.64464(13) 0.0268(4) Uani 1 1 d . . . . .
H69 H 0.200519 0.063735 0.671309 0.032 Uiso 1 1 calc R U . . .
C70 C -0.0891(3) 0.2397(2) 0.5241(2) 0.0595(8) Uani 1 1 d D U . . .
C71 C 0.1961(2) 0.00703(19) 0.54163(16) 0.0440(6) Uani 1 1 d D U . . .
C72 C 0.04460(17) 0.10734(14) 0.81811(12) 0.0232(4) Uani 1 1 d . . . . .
C73 C -0.06260(17) 0.12049(15) 0.82477(14) 0.0281(5) Uani 1 1 d . . . . .
H73 H -0.094162 0.173302 0.801425 0.034 Uiso 1 1 calc R U . . .
C74 C -0.12441(18) 0.05928(16) 0.86416(15) 0.0309(5) Uani 1 1 d . . . . .
C75 C -0.08144(19) -0.01840(16) 0.89926(14) 0.0305(5) Uani 1 1 d . . . . .
H75 H -0.123200 -0.059747 0.927558 0.037 Uiso 1 1 calc R U . . .
C76 C 0.02384(19) -0.03417(15) 0.89202(13) 0.0282(5) Uani 1 1 d . . . . .
C77 C 0.08557(17) 0.02724(15) 0.85241(13) 0.0260(4) Uani 1 1 d . . . . .
H77 H 0.157673 0.014396 0.848539 0.031 Uiso 1 1 calc R U . . .
C78 C -0.2387(2) 0.07796(19) 0.86951(18) 0.0426(6) Uani 1 1 d . . . . .
C79 C 0.0706(2) -0.12028(17) 0.92512(16) 0.0391(6) Uani 1 1 d D U . . .
B1 B 0.11112(18) 0.17890(16) 0.76429(14) 0.0225(5) Uani 1 1 d . . . . .
F4 F -0.1337(3) 0.3346(3) 0.9598(2) 0.0817(11) Uani 0.725(4) 1 d D U P A 1
F5 F -0.1208(4) 0.4678(3) 0.9337(2) 0.0864(14) Uani 0.725(4) 1 d D U P A 1
F6 F -0.0107(3) 0.3860(4) 0.9956(2) 0.0826(12) Uani 0.725(4) 1 d D U P A 1
F7 F 0.4770(2) 0.1433(2) 0.60391(14) 0.0759(8) Uani 0.898(3) 1 d D U P B 1
F8 F 0.4658(2) 0.2743(2) 0.61479(16) 0.0807(9) Uani 0.898(3) 1 d D U P B 1
F9 F 0.58220(16) 0.1883(3) 0.66923(14) 0.0925(12) Uani 0.898(3) 1 d D U P B 1
F13 F -0.0629(8) 0.3221(5) 0.5040(6) 0.076(2) Uani 0.427(13) 1 d D U P C 1
F14 F -0.1031(10) 0.2116(7) 0.4600(6) 0.071(2) Uani 0.427(13) 1 d D U P C 1
F15 F -0.1773(6) 0.2516(9) 0.5633(5) 0.086(2) Uani 0.427(13) 1 d D U P C 1
F16 F 0.1889(8) 0.0027(6) 0.4699(3) 0.0722(18) Uani 0.483(13) 1 d D U P D 1
F17 F 0.2980(4) 0.0168(6) 0.5433(5) 0.0631(16) Uani 0.483(13) 1 d D U P D 1
F18 F 0.1829(8) -0.0673(6) 0.5811(6) 0.074(2) Uani 0.483(13) 1 d D U P D 1
F22 F 0.1087(14) -0.1654(9) 0.8704(7) 0.063(2) Uani 0.200(10) 1 d D U P E 1
F23 F 0.1514(12) -0.1140(13) 0.9601(9) 0.056(2) Uani 0.200(10) 1 d D U P E 1
F24 F 0.0107(10) -0.1681(10) 0.9701(11) 0.068(3) Uani 0.200(10) 1 d D U P E 1
F4A F -0.1631(5) 0.4070(8) 0.9265(5) 0.071(2) Uani 0.275(4) 1 d D U P A 2
F5A F -0.0444(9) 0.4748(6) 0.9519(5) 0.079(2) Uani 0.275(4) 1 d D U P A 2
F6A F -0.0507(9) 0.3418(6) 0.9910(5) 0.074(2) Uani 0.275(4) 1 d D U P A 2
F7A F 0.4502(16) 0.2190(18) 0.5894(8) 0.0759(8) Uani 0.102(3) 1 d D U P B 2
F8A F 0.5457(16) 0.2584(14) 0.6655(11) 0.070(3) Uani 0.102(3) 1 d D U P B 2
F9A F 0.5516(15) 0.1292(12) 0.6465(12) 0.077(3) Uani 0.102(3) 1 d D U P B 2
F13A F -0.1016(7) 0.3201(4) 0.5343(5) 0.0855(18) Uani 0.573(13) 1 d D U P C 2
F14A F -0.0815(7) 0.2377(7) 0.4505(4) 0.0796(19) Uani 0.573(13) 1 d D U P C 2
F15A F -0.1804(4) 0.2082(5) 0.5523(4) 0.0738(16) Uani 0.573(13) 1 d D U P C 2
F16A F 0.1499(7) -0.0240(5) 0.4885(5) 0.0723(17) Uani 0.517(13) 1 d D U P D 2
F17A F 0.2827(6) 0.0326(4) 0.5090(6) 0.0752(18) Uani 0.517(13) 1 d D U P D 2
F18A F 0.2167(7) -0.0615(5) 0.5930(4) 0.0573(15) Uani 0.517(13) 1 d D U P D 2
F22A F 0.0549(5) -0.18240(18) 0.8865(2) 0.0686(12) Uani 0.800(10) 1 d D U P E 2
F23A F 0.1692(3) -0.1219(3) 0.9324(4) 0.0743(14) Uani 0.800(10) 1 d D U P E 2
F24A F 0.0269(3) -0.1452(2) 0.99557(18) 0.0614(9) Uani 0.800(10) 1 d D U P E 2
O1 O 0.38327(13) 0.39912(11) 0.12974(9) 0.0301(3) Uani 1 1 d . . . . .
C40 C 0.3723(2) 0.31824(18) 0.43992(13) 0.0333(5) Uani 1 1 d . . . . .
H40 H 0.444966 0.314458 0.452989 0.040 Uiso 1 1 calc R U . . .
C41 C 0.3173(2) 0.39610(18) 0.41847(14) 0.0335(5) Uani 1 1 d . . . . .
H41 H 0.346484 0.453022 0.415178 0.040 Uiso 1 1 calc R U . . .
C42 C 0.2050(2) 0.3822(2) 0.44539(16) 0.0403(6) Uani 1 1 d . . . . .
H42 H 0.156604 0.434779 0.448754 0.048 Uiso 1 1 calc R U . . .
C37 C 0.1811(2) 0.3194(2) 0.39196(15) 0.0383(6) Uani 1 1 d . . . . .
H37 H 0.114663 0.323603 0.368177 0.046 Uiso 1 1 calc R U . . .
C38 C 0.2354(2) 0.24264(19) 0.41348(14) 0.0368(6) Uani 1 1 d . . . . .
H38 H 0.212781 0.185587 0.406614 0.044 Uiso 1 1 calc R U . . .
C39 C 0.2954(2) 0.25580(19) 0.48008(14) 0.0396(6) Uani 1 1 d . . . . .
H39 H 0.323256 0.202993 0.512400 0.047 Uiso 1 1 calc R U . . .
C43 C 0.2189(2) 0.3191(2) 0.51923(16) 0.0472(7) Uani 1 1 d . . . . .
H43A H 0.249200 0.345028 0.558286 0.057 Uiso 1 1 calc R U . . .
H43B H 0.154949 0.293334 0.540664 0.057 Uiso 1 1 calc R U . . .
C13 C 0.54071(19) 0.38345(17) 0.18212(14) 0.0317(5) Uani 1 1 d . . . . .
C18 C 0.4880(2) 0.37964(17) 0.11923(14) 0.0334(5) Uani 1 1 d . . . . .
C17 C 0.5380(2) 0.3618(2) 0.05068(16) 0.0466(7) Uani 1 1 d . . . . .
H17 H 0.500557 0.359325 0.008256 0.056 Uiso 1 1 calc R U . . .
C16 C 0.6431(3) 0.3477(3) 0.04558(19) 0.0607(10) Uani 1 1 d . . . . .
H16 H 0.678180 0.334213 -0.000584 0.073 Uiso 1 1 calc R U . . .
C15 C 0.6983(2) 0.3530(3) 0.1067(2) 0.0592(10) Uani 1 1 d . . . . .
H15 H 0.770839 0.344134 0.102128 0.071 Uiso 1 1 calc R U . . .
C14 C 0.6474(2) 0.3714(2) 0.17488(17) 0.0444(7) Uani 1 1 d . . . . .
H14 H 0.685265 0.375750 0.216648 0.053 Uiso 1 1 calc R U . . .
C24 C 0.28666(17) 0.27782(15) 0.13041(13) 0.0262(4) Uani 1 1 d . . . . .
C19 C 0.32074(18) 0.35486(16) 0.09323(13) 0.0284(5) Uani 1 1 d . . . . .
C20 C 0.2915(2) 0.39117(18) 0.02223(15) 0.0372(6) Uani 1 1 d . . . . .
H20 H 0.314113 0.445087 -0.000862 0.045 Uiso 1 1 calc R U . . .
C21 C 0.2289(2) 0.3478(2) -0.01457(15) 0.0410(6) Uani 1 1 d . . . . .
H21 H 0.208017 0.371905 -0.063178 0.049 Uiso 1 1 calc R U . . .
C22 C 0.1968(2) 0.2693(2) 0.01979(15) 0.0391(6) Uani 1 1 d . . . . .
H22 H 0.155336 0.238842 -0.006028 0.047 Uiso 1 1 calc R U . . .
C23 C 0.2244(2) 0.23480(17) 0.09112(14) 0.0329(5) Uani 1 1 d . . . . .
H23 H 0.200986 0.181111 0.114080 0.039 Uiso 1 1 calc R U . . .
C6 C 0.4019(2) 0.51538(16) 0.23913(16) 0.0393(6) Uani 1 1 d . . . . .
C5 C 0.4499(3) 0.5852(2) 0.20105(19) 0.0508(8) Uani 1 1 d . . . . .
C4 C 0.3892(4) 0.6626(2) 0.1760(3) 0.0682(11) Uani 1 1 d . . . . .
H4 H 0.420902 0.710287 0.147765 0.082 Uiso 1 1 calc R U . . .
C3 C 0.2867(4) 0.6680(3) 0.1926(3) 0.0819(14) Uani 1 1 d . . . . .
H3 H 0.247859 0.720082 0.175436 0.098 Uiso 1 1 calc R U . . .
C2 C 0.2354(3) 0.6002(2) 0.2340(3) 0.0674(11) Uani 1 1 d . . . . .
H2 H 0.163782 0.606569 0.246978 0.081 Uiso 1 1 calc R U . . .
C1 C 0.2921(3) 0.52425(19) 0.2551(2) 0.0476(7) Uani 1 1 d . . . . .
H1 H 0.258373 0.476316 0.280864 0.057 Uiso 1 1 calc R U . . .
C44 C 0.5599(3) 0.5837(2) 0.1821(2) 0.0613(9) Uani 1 1 d . . . . .
H44A H 0.579974 0.642912 0.171199 0.092 Uiso 1 1 calc R U . . .
H44B H 0.578184 0.554388 0.137402 0.092 Uiso 1 1 calc R U . . .
H44C H 0.595708 0.552806 0.224982 0.092 Uiso 1 1 calc R U . . .
C7 C 0.55135(18) 0.41658(16) 0.33747(13) 0.0284(5) Uani 1 1 d . . . . .
C12 C 0.61376(19) 0.34525(18) 0.36835(16) 0.0359(5) Uani 1 1 d . . . . .
C11 C 0.6685(2) 0.3546(2) 0.43002(18) 0.0464(7) Uani 1 1 d . . . . .
H11 H 0.711492 0.307010 0.451352 0.056 Uiso 1 1 calc R U . . .
C10 C 0.6616(2) 0.4305(2) 0.46049(18) 0.0501(8) Uani 1 1 d . . . . .
H10 H 0.699495 0.434790 0.502306 0.060 Uiso 1 1 calc R U . . .
C9 C 0.6001(2) 0.5002(2) 0.43040(17) 0.0438(6) Uani 1 1 d . . . . .
H9 H 0.595033 0.552649 0.451384 0.053 Uiso 1 1 calc R U . . .
C8 C 0.5454(2) 0.49345(18) 0.36934(15) 0.0345(5) Uani 1 1 d . . . . .
H8 H 0.503035 0.541813 0.348614 0.041 Uiso 1 1 calc R U . . .
C45 C 0.6228(2) 0.2590(2) 0.3408(2) 0.0482(7) Uani 1 1 d . . . . .
H45A H 0.567501 0.256601 0.308249 0.072 Uiso 1 1 calc R U . . .
H45B H 0.617863 0.213460 0.384282 0.072 Uiso 1 1 calc R U . . .
H45C H 0.688994 0.250660 0.311731 0.072 Uiso 1 1 calc R U . . .
C25 C 0.21068(19) 0.16390(16) 0.25524(13) 0.0301(5) Uani 1 1 d . . . . .
C30 C 0.1084(2) 0.1993(2) 0.25994(15) 0.0401(6) Uani 1 1 d . . . . .
C29 C 0.0325(3) 0.1431(3) 0.28722(19) 0.0583(10) Uani 1 1 d . . . . .
H29 H -0.036955 0.165753 0.291452 0.070 Uiso 1 1 calc R U . . .
C28 C 0.0559(3) 0.0561(3) 0.3081(2) 0.0659(11) Uani 1 1 d . . . . .
H28 H 0.003029 0.019873 0.327353 0.079 Uiso 1 1 calc R U . . .
C27 C 0.1550(3) 0.0220(2) 0.30098(18) 0.0588(10) Uani 1 1 d . . . . .
H27 H 0.170973 -0.038132 0.314279 0.071 Uiso 1 1 calc R U . . .
C26 C 0.2329(2) 0.07542(18) 0.27424(15) 0.0405(6) Uani 1 1 d . . . . .
H26 H 0.301719 0.051293 0.268931 0.049 Uiso 1 1 calc R U . . .
C46 C 0.0749(2) 0.2916(2) 0.23247(19) 0.0482(7) Uani 1 1 d . . . . .
H46A H 0.130570 0.327791 0.235425 0.072 Uiso 1 1 calc R U . . .
H46B H 0.014710 0.310490 0.264277 0.072 Uiso 1 1 calc R U . . .
H46C H 0.057550 0.296844 0.179774 0.072 Uiso 1 1 calc R U . . .
C31 C 0.43212(18) 0.16191(15) 0.21594(14) 0.0291(5) Uani 1 1 d . . . . .
C36 C 0.4799(2) 0.11363(16) 0.27812(17) 0.0376(6) Uani 1 1 d . . . . .
C35 C 0.5717(3) 0.0651(2) 0.2627(2) 0.0538(8) Uani 1 1 d . . . . .
H35 H 0.604742 0.031859 0.303664 0.065 Uiso 1 1 calc R U . . .
C34 C 0.6156(3) 0.0638(2) 0.1902(3) 0.0642(10) Uani 1 1 d . . . . .
H34 H 0.678509 0.030341 0.181760 0.077 Uiso 1 1 calc R U . . .
C33 C 0.5694(3) 0.1106(2) 0.1298(2) 0.0564(9) Uani 1 1 d . . . . .
H33 H 0.600142 0.109932 0.079649 0.068 Uiso 1 1 calc R U . . .
C32 C 0.4771(2) 0.15892(18) 0.14261(17) 0.0383(6) Uani 1 1 d . . . . .
H32 H 0.444203 0.190372 0.100805 0.046 Uiso 1 1 calc R U . . .
C47 C 0.4378(3) 0.1102(2) 0.35943(17) 0.0461(7) Uani 1 1 d . . . . .
H47A H 0.421836 0.168936 0.371642 0.069 Uiso 1 1 calc R U . . .
H47B H 0.488778 0.079670 0.392544 0.069 Uiso 1 1 calc R U . . .
H47C H 0.375426 0.079643 0.367140 0.069 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 P1 2.3514(6) . ?
Rh1 P2 2.3950(5) . ?
Rh1 C40 2.163(2) . ?
Rh1 C41 2.164(2) . ?
Rh1 C37 2.219(3) . ?
Rh1 C38 2.236(3) . ?
P1 C13 1.818(3) . ?
P1 C6 1.840(3) . ?
P1 C7 1.830(2) . ?
P2 C24 1.843(2) . ?
P2 C25 1.836(2) . ?
P2 C31 1.841(2) . ?
F1 C54 1.321(5) . ?
F2 C54 1.316(6) . ?
F3 C54 1.329(6) . ?
F10 C63 1.355(4) . ?
F11 C63 1.325(3) . ?
F12 C63 1.328(3) . ?
F19 C78 1.338(4) . ?
F20 C78 1.320(4) . ?
F21 C78 1.337(3) . ?
C48 C49 1.401(3) . ?
C48 C53 1.396(3) . ?
C48 B1 1.641(3) . ?
C49 H49 0.9500 . ?
C49 C50 1.389(4) . ?
C50 C51 1.392(5) . ?
C50 C54 1.509(5) . ?
C51 H51 0.9500 . ?
C51 C52 1.384(4) . ?
C52 C53 1.395(3) . ?
C52 C55 1.497(4) . ?
C53 H53 0.9500 . ?
C55 F4 1.388(5) . ?
C55 F5 1.272(4) . ?
C55 F6 1.318(4) . ?
C55 F4A 1.306(7) . ?
C55 F5A 1.357(8) . ?
C55 F6A 1.225(8) . ?
C56 C57 1.401(3) . ?
C56 C61 1.402(3) . ?
C56 B1 1.649(3) . ?
C57 H57 0.9500 . ?
C57 C58 1.394(3) . ?
C58 C59 1.384(3) . ?
C58 C62 1.498(4) . ?
C59 H59 0.9500 . ?
C59 C60 1.388(3) . ?
C60 C61 1.395(3) . ?
C60 C63 1.492(3) . ?
C61 H61 0.9500 . ?
C62 F7 1.350(4) . ?
C62 F8 1.330(4) . ?
C62 F9 1.307(3) . ?
C62 F7A 1.286(13) . ?
C62 F8A 1.344(13) . ?
C62 F9A 1.326(13) . ?
C64 C65 1.404(3) . ?
C64 C69 1.398(3) . ?
C64 B1 1.636(3) . ?
C65 H65 0.9500 . ?
C65 C66 1.399(4) . ?
C66 C67 1.374(4) . ?
C66 C70 1.498(4) . ?
C67 H67 0.9500 . ?
C67 C68 1.389(4) . ?
C68 C69 1.393(3) . ?
C68 C71 1.493(4) . ?
C69 H69 0.9500 . ?
C70 F13 1.361(8) . ?
C70 F14 1.322(9) . ?
C70 F15 1.311(8) . ?
C70 F13A 1.297(7) . ?
C70 F14A 1.316(7) . ?
C70 F15A 1.369(6) . ?
C71 F16 1.307(6) . ?
C71 F17 1.368(6) . ?
C71 F18 1.294(8) . ?
C71 F16A 1.346(6) . ?
C71 F17A 1.303(6) . ?
C71 F18A 1.335(7) . ?
C72 C73 1.404(3) . ?
C72 C77 1.401(3) . ?
C72 B1 1.636(3) . ?
C73 H73 0.9500 . ?
C73 C74 1.390(3) . ?
C74 C75 1.385(3) . ?
C74 C78 1.503(4) . ?
C75 H75 0.9500 . ?
C75 C76 1.382(3) . ?
C76 C77 1.393(3) . ?
C76 C79 1.496(3) . ?
C77 H77 0.9500 . ?
C79 F22 1.327(10) . ?
C79 F23 1.303(11) . ?
C79 F24 1.286(10) . ?
C79 F22A 1.317(4) . ?
C79 F23A 1.315(4) . ?
C79 F24A 1.355(4) . ?
O1 C18 1.386(3) . ?
O1 C19 1.390(3) . ?
C40 H40 1.0000 . ?
C40 C41 1.385(4) . ?
C40 C39 1.535(4) . ?
C41 H41 1.0000 . ?
C41 C42 1.538(4) . ?
C42 H42 1.0000 . ?
C42 C37 1.543(4) . ?
C42 C43 1.546(4) . ?
C37 H37 1.0000 . ?
C37 C38 1.367(4) . ?
C38 H38 1.0000 . ?
C38 C39 1.537(4) . ?
C39 H39 1.0000 . ?
C39 C43 1.542(4) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C13 C18 1.386(3) . ?
C13 C14 1.396(4) . ?
C18 C17 1.389(4) . ?
C17 H17 0.9500 . ?
C17 C16 1.376(5) . ?
C16 H16 0.9500 . ?
C16 C15 1.385(5) . ?
C15 H15 0.9500 . ?
C15 C14 1.390(4) . ?
C14 H14 0.9500 . ?
C24 C19 1.388(3) . ?
C24 C23 1.406(3) . ?
C19 C20 1.387(3) . ?
C20 H20 0.9500 . ?
C20 C21 1.385(4) . ?
C21 H21 0.9500 . ?
C21 C22 1.383(4) . ?
C22 H22 0.9500 . ?
C22 C23 1.378(4) . ?
C23 H23 0.9500 . ?
C6 C5 1.380(4) . ?
C6 C1 1.445(5) . ?
C5 C4 1.430(5) . ?
C5 C44 1.456(5) . ?
C4 H4 0.9500 . ?
C4 C3 1.352(7) . ?
C3 H3 0.9500 . ?
C3 C2 1.399(6) . ?
C2 H2 0.9500 . ?
C2 C1 1.370(5) . ?
C1 H1 0.9500 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C7 C12 1.403(4) . ?
C7 C8 1.403(4) . ?
C12 C11 1.404(4) . ?
C12 C45 1.501(4) . ?
C11 H11 0.9500 . ?
C11 C10 1.376(5) . ?
C10 H10 0.9500 . ?
C10 C9 1.374(5) . ?
C9 H9 0.9500 . ?
C9 C8 1.384(4) . ?
C8 H8 0.9500 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C25 C30 1.408(4) . ?
C25 C26 1.394(4) . ?
C30 C29 1.403(4) . ?
C30 C46 1.502(5) . ?
C29 H29 0.9500 . ?
C29 C28 1.379(6) . ?
C28 H28 0.9500 . ?
C28 C27 1.365(6) . ?
C27 H27 0.9500 . ?
C27 C26 1.394(4) . ?
C26 H26 0.9500 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C31 C36 1.415(4) . ?
C31 C32 1.393(4) . ?
C36 C35 1.394(4) . ?
C36 C47 1.502(4) . ?
C35 H35 0.9500 . ?
C35 C34 1.372(6) . ?
C34 H34 0.9500 . ?
C34 C33 1.373(6) . ?
C33 H33 0.9500 . ?
C33 C32 1.389(4) . ?
C32 H32 0.9500 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Rh1 P2 100.784(19) . . ?
C40 Rh1 P1 95.91(7) . . ?
C40 Rh1 P2 144.10(7) . . ?
C40 Rh1 C41 37.33(10) . . ?
C40 Rh1 C37 77.13(10) . . ?
C40 Rh1 C38 65.21(9) . . ?
C41 Rh1 P1 88.63(7) . . ?
C41 Rh1 P2 169.48(7) . . ?
C41 Rh1 C37 65.59(9) . . ?
C41 Rh1 C38 77.47(10) . . ?
C37 Rh1 P1 146.11(8) . . ?
C37 Rh1 P2 103.90(7) . . ?
C37 Rh1 C38 35.74(11) . . ?
C38 Rh1 P1 161.02(7) . . ?
C38 Rh1 P2 94.34(7) . . ?
C13 P1 Rh1 123.42(8) . . ?
C13 P1 C6 103.35(13) . . ?
C13 P1 C7 106.24(11) . . ?
C6 P1 Rh1 106.95(10) . . ?
C7 P1 Rh1 109.23(8) . . ?
C7 P1 C6 106.46(11) . . ?
C24 P2 Rh1 124.17(8) . . ?
C25 P2 Rh1 111.04(8) . . ?
C25 P2 C24 100.15(11) . . ?
C25 P2 C31 105.85(11) . . ?
C31 P2 Rh1 110.19(8) . . ?
C31 P2 C24 103.74(11) . . ?
C49 C48 B1 119.8(2) . . ?
C53 C48 C49 116.2(2) . . ?
C53 C48 B1 123.8(2) . . ?
C48 C49 H49 118.9 . . ?
C50 C49 C48 122.1(3) . . ?
C50 C49 H49 118.9 . . ?
C49 C50 C51 120.5(3) . . ?
C49 C50 C54 120.2(3) . . ?
C51 C50 C54 119.3(3) . . ?
C50 C51 H51 120.7 . . ?
C52 C51 C50 118.5(2) . . ?
C52 C51 H51 120.7 . . ?
C51 C52 C53 120.6(3) . . ?
C51 C52 C55 119.7(2) . . ?
C53 C52 C55 119.7(3) . . ?
C48 C53 H53 119.0 . . ?
C52 C53 C48 122.1(2) . . ?
C52 C53 H53 119.0 . . ?
F1 C54 F3 112.0(4) . . ?
F1 C54 C50 113.4(3) . . ?
F2 C54 F1 104.3(5) . . ?
F2 C54 F3 103.7(3) . . ?
F2 C54 C50 111.8(3) . . ?
F3 C54 C50 111.1(4) . . ?
F4 C55 C52 111.1(3) . . ?
F5 C55 C52 115.9(3) . . ?
F5 C55 F4 104.1(4) . . ?
F5 C55 F6 110.1(4) . . ?
F6 C55 C52 114.2(3) . . ?
F6 C55 F4 99.8(4) . . ?
F4A C55 C52 110.1(4) . . ?
F4A C55 F5A 103.5(7) . . ?
F5A C55 C52 108.1(4) . . ?
F6A C55 C52 115.4(5) . . ?
F6A C55 F4A 109.1(8) . . ?
F6A C55 F5A 110.0(8) . . ?
C57 C56 C61 115.4(2) . . ?
C57 C56 B1 122.02(19) . . ?
C61 C56 B1 122.38(19) . . ?
C56 C57 H57 118.6 . . ?
C58 C57 C56 122.8(2) . . ?
C58 C57 H57 118.6 . . ?
C57 C58 C62 119.3(2) . . ?
C59 C58 C57 120.6(2) . . ?
C59 C58 C62 120.0(2) . . ?
C58 C59 H59 121.0 . . ?
C58 C59 C60 118.0(2) . . ?
C60 C59 H59 121.0 . . ?
C59 C60 C61 121.1(2) . . ?
C59 C60 C63 117.6(2) . . ?
C61 C60 C63 121.3(2) . . ?
C56 C61 H61 118.9 . . ?
C60 C61 C56 122.1(2) . . ?
C60 C61 H61 118.9 . . ?
F7 C62 C58 111.5(3) . . ?
F8 C62 C58 112.5(3) . . ?
F8 C62 F7 102.4(3) . . ?
F9 C62 C58 114.1(2) . . ?
F9 C62 F7 106.2(3) . . ?
F9 C62 F8 109.3(3) . . ?
F7A C62 C58 118.7(10) . . ?
F7A C62 F8A 108.0(14) . . ?
F7A C62 F9A 105.0(13) . . ?
F8A C62 C58 108.7(8) . . ?
F9A C62 C58 111.5(9) . . ?
F9A C62 F8A 103.8(13) . . ?
F10 C63 C60 111.5(2) . . ?
F11 C63 F10 106.3(2) . . ?
F11 C63 F12 107.5(2) . . ?
F11 C63 C60 112.7(2) . . ?
F12 C63 F10 105.3(2) . . ?
F12 C63 C60 113.1(2) . . ?
C65 C64 B1 123.9(2) . . ?
C69 C64 C65 115.2(2) . . ?
C69 C64 B1 120.61(19) . . ?
C64 C65 H65 119.2 . . ?
C66 C65 C64 121.7(2) . . ?
C66 C65 H65 119.2 . . ?
C65 C66 C70 118.4(3) . . ?
C67 C66 C65 121.9(2) . . ?
C67 C66 C70 119.7(3) . . ?
C66 C67 H67 121.2 . . ?
C66 C67 C68 117.6(2) . . ?
C68 C67 H67 121.2 . . ?
C67 C68 C69 120.7(2) . . ?
C67 C68 C71 120.5(2) . . ?
C69 C68 C71 118.9(2) . . ?
C64 C69 H69 118.5 . . ?
C68 C69 C64 123.0(2) . . ?
C68 C69 H69 118.5 . . ?
F13 C70 C66 108.7(4) . . ?
F14 C70 C66 112.9(6) . . ?
F14 C70 F13 105.7(6) . . ?
F15 C70 C66 116.6(4) . . ?
F15 C70 F13 101.8(6) . . ?
F15 C70 F14 110.0(7) . . ?
F13A C70 C66 114.5(4) . . ?
F13A C70 F14A 107.3(5) . . ?
F13A C70 F15A 103.9(5) . . ?
F14A C70 C66 114.8(5) . . ?
F14A C70 F15A 107.0(5) . . ?
F15A C70 C66 108.7(4) . . ?
F16 C71 C68 115.7(4) . . ?
F16 C71 F17 102.1(5) . . ?
F17 C71 C68 111.7(3) . . ?
F18 C71 C68 112.0(5) . . ?
F18 C71 F16 109.8(6) . . ?
F18 C71 F17 104.6(5) . . ?
F16A C71 C68 111.5(4) . . ?
F17A C71 C68 112.2(4) . . ?
F17A C71 F16A 106.4(5) . . ?
F17A C71 F18A 108.1(5) . . ?
F18A C71 C68 113.5(4) . . ?
F18A C71 F16A 104.6(5) . . ?
C73 C72 B1 119.39(19) . . ?
C77 C72 C73 115.5(2) . . ?
C77 C72 B1 124.70(19) . . ?
C72 C73 H73 118.7 . . ?
C74 C73 C72 122.6(2) . . ?
C74 C73 H73 118.7 . . ?
C73 C74 C78 119.7(2) . . ?
C75 C74 C73 120.5(2) . . ?
C75 C74 C78 119.7(2) . . ?
C74 C75 H75 120.9 . . ?
C76 C75 C74 118.2(2) . . ?
C76 C75 H75 120.9 . . ?
C75 C76 C77 121.1(2) . . ?
C75 C76 C79 118.6(2) . . ?
C77 C76 C79 120.2(2) . . ?
C72 C77 H77 119.0 . . ?
C76 C77 C72 122.0(2) . . ?
C76 C77 H77 119.0 . . ?
F19 C78 C74 112.8(2) . . ?
F20 C78 F19 104.5(2) . . ?
F20 C78 F21 109.9(3) . . ?
F20 C78 C74 112.1(3) . . ?
F21 C78 F19 104.3(2) . . ?
F21 C78 C74 112.6(2) . . ?
F22 C79 C76 110.3(6) . . ?
F23 C79 C76 112.2(9) . . ?
F23 C79 F22 102.1(9) . . ?
F24 C79 C76 116.1(7) . . ?
F24 C79 F22 106.9(9) . . ?
F24 C79 F23 108.0(10) . . ?
F22A C79 C76 112.7(2) . . ?
F22A C79 F24A 104.0(3) . . ?
F23A C79 C76 113.8(3) . . ?
F23A C79 F22A 108.7(3) . . ?
F23A C79 F24A 105.9(3) . . ?
F24A C79 C76 111.2(3) . . ?
C48 B1 C56 104.49(17) . . ?
C64 B1 C48 112.88(18) . . ?
C64 B1 C56 110.26(18) . . ?
C64 B1 C72 102.99(17) . . ?
C72 B1 C48 111.39(18) . . ?
C72 B1 C56 115.12(18) . . ?
C18 O1 C19 117.47(19) . . ?
Rh1 C40 H40 122.5 . . ?
C41 C40 Rh1 71.35(14) . . ?
C41 C40 H40 122.5 . . ?
C41 C40 C39 107.1(2) . . ?
C39 C40 Rh1 98.28(15) . . ?
C39 C40 H40 122.5 . . ?
Rh1 C41 H41 123.0 . . ?
C40 C41 Rh1 71.32(14) . . ?
C40 C41 H41 123.0 . . ?
C40 C41 C42 105.8(2) . . ?
C42 C41 Rh1 97.87(15) . . ?
C42 C41 H41 123.0 . . ?
C41 C42 H42 117.3 . . ?
C41 C42 C37 100.8(2) . . ?
C41 C42 C43 100.5(2) . . ?
C37 C42 H42 117.3 . . ?
C37 C42 C43 100.4(2) . . ?
C43 C42 H42 117.3 . . ?
Rh1 C37 H37 123.0 . . ?
C42 C37 Rh1 95.49(16) . . ?
C42 C37 H37 123.0 . . ?
C38 C37 Rh1 72.80(16) . . ?
C38 C37 C42 106.8(2) . . ?
C38 C37 H37 123.0 . . ?
Rh1 C38 H38 123.3 . . ?
C37 C38 Rh1 71.46(15) . . ?
C37 C38 H38 123.3 . . ?
C37 C38 C39 106.7(2) . . ?
C39 C38 Rh1 95.26(15) . . ?
C39 C38 H38 123.3 . . ?
C40 C39 C38 101.0(2) . . ?
C40 C39 H39 117.4 . . ?
C40 C39 C43 100.1(2) . . ?
C38 C39 H39 117.4 . . ?
C38 C39 C43 100.5(2) . . ?
C43 C39 H39 117.4 . . ?
C42 C43 H43A 113.0 . . ?
C42 C43 H43B 113.0 . . ?
C39 C43 C42 93.8(2) . . ?
C39 C43 H43A 113.0 . . ?
C39 C43 H43B 113.0 . . ?
H43A C43 H43B 110.4 . . ?
C18 C13 P1 115.78(19) . . ?
C18 C13 C14 118.3(2) . . ?
C14 C13 P1 125.9(2) . . ?
O1 C18 C13 114.4(2) . . ?
O1 C18 C17 123.5(2) . . ?
C13 C18 C17 122.0(3) . . ?
C18 C17 H17 120.7 . . ?
C16 C17 C18 118.6(3) . . ?
C16 C17 H17 120.7 . . ?
C17 C16 H16 119.5 . . ?
C17 C16 C15 121.0(3) . . ?
C15 C16 H16 119.5 . . ?
C16 C15 H15 120.1 . . ?
C16 C15 C14 119.9(3) . . ?
C14 C15 H15 120.1 . . ?
C13 C14 H14 119.9 . . ?
C15 C14 C13 120.2(3) . . ?
C15 C14 H14 119.9 . . ?
C19 C24 P2 122.76(17) . . ?
C19 C24 C23 116.9(2) . . ?
C23 C24 P2 120.28(19) . . ?
C24 C19 O1 118.8(2) . . ?
C20 C19 O1 118.6(2) . . ?
C20 C19 C24 122.5(2) . . ?
C19 C20 H20 120.4 . . ?
C21 C20 C19 119.2(3) . . ?
C21 C20 H20 120.4 . . ?
C20 C21 H21 120.2 . . ?
C22 C21 C20 119.7(2) . . ?
C22 C21 H21 120.2 . . ?
C21 C22 H22 119.7 . . ?
C23 C22 C21 120.7(2) . . ?
C23 C22 H22 119.7 . . ?
C24 C23 H23 119.5 . . ?
C22 C23 C24 121.0(2) . . ?
C22 C23 H23 119.5 . . ?
C5 C6 P1 126.5(3) . . ?
C5 C6 C1 118.8(3) . . ?
C1 C6 P1 114.6(2) . . ?
C6 C5 C4 119.0(4) . . ?
C6 C5 C44 123.5(3) . . ?
C4 C5 C44 117.4(3) . . ?
C5 C4 H4 120.0 . . ?
C3 C4 C5 120.0(4) . . ?
C3 C4 H4 120.0 . . ?
C4 C3 H3 118.6 . . ?
C4 C3 C2 122.8(4) . . ?
C2 C3 H3 118.6 . . ?
C3 C2 H2 121.1 . . ?
C1 C2 C3 117.7(4) . . ?
C1 C2 H2 121.1 . . ?
C6 C1 H1 119.2 . . ?
C2 C1 C6 121.5(3) . . ?
C2 C1 H1 119.2 . . ?
C5 C44 H44A 109.5 . . ?
C5 C44 H44B 109.5 . . ?
C5 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C12 C7 P1 121.16(19) . . ?
C12 C7 C8 119.2(2) . . ?
C8 C7 P1 118.89(19) . . ?
C7 C12 C11 117.9(3) . . ?
C7 C12 C45 123.7(2) . . ?
C11 C12 C45 118.3(3) . . ?
C12 C11 H11 119.0 . . ?
C10 C11 C12 122.0(3) . . ?
C10 C11 H11 119.0 . . ?
C11 C10 H10 120.0 . . ?
C9 C10 C11 120.0(3) . . ?
C9 C10 H10 120.0 . . ?
C10 C9 H9 120.2 . . ?
C10 C9 C8 119.6(3) . . ?
C8 C9 H9 120.2 . . ?
C7 C8 H8 119.4 . . ?
C9 C8 C7 121.3(3) . . ?
C9 C8 H8 119.4 . . ?
C12 C45 H45A 109.5 . . ?
C12 C45 H45B 109.5 . . ?
C12 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C30 C25 P2 120.3(2) . . ?
C26 C25 P2 119.8(2) . . ?
C26 C25 C30 119.8(2) . . ?
C25 C30 C46 124.1(2) . . ?
C29 C30 C25 117.6(3) . . ?
C29 C30 C46 118.1(3) . . ?
C30 C29 H29 119.0 . . ?
C28 C29 C30 121.9(3) . . ?
C28 C29 H29 119.0 . . ?
C29 C28 H28 120.0 . . ?
C27 C28 C29 119.9(3) . . ?
C27 C28 H28 120.0 . . ?
C28 C27 H27 120.0 . . ?
C28 C27 C26 120.1(4) . . ?
C26 C27 H27 120.0 . . ?
C25 C26 C27 120.5(3) . . ?
C25 C26 H26 119.7 . . ?
C27 C26 H26 119.7 . . ?
C30 C46 H46A 109.5 . . ?
C30 C46 H46B 109.5 . . ?
C30 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C36 C31 P2 122.4(2) . . ?
C32 C31 P2 117.96(19) . . ?
C32 C31 C36 119.6(2) . . ?
C31 C36 C47 124.5(2) . . ?
C35 C36 C31 117.7(3) . . ?
C35 C36 C47 117.8(3) . . ?
C36 C35 H35 119.0 . . ?
C34 C35 C36 121.9(3) . . ?
C34 C35 H35 119.0 . . ?
C35 C34 H34 119.8 . . ?
C35 C34 C33 120.4(3) . . ?
C33 C34 H34 119.8 . . ?
C34 C33 H33 120.3 . . ?
C34 C33 C32 119.4(3) . . ?
C32 C33 H33 120.3 . . ?
C31 C32 H32 119.5 . . ?
C33 C32 C31 120.9(3) . . ?
C33 C32 H32 119.5 . . ?
C36 C47 H47A 109.5 . . ?
C36 C47 H47B 109.5 . . ?
C36 C47 H47C 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Rh1 P1 C13 C18 57.6(2) . . . . ?
Rh1 P1 C13 C14 -123.8(2) . . . . ?
Rh1 P1 C6 C5 -177.7(2) . . . . ?
Rh1 P1 C6 C1 -2.2(2) . . . . ?
Rh1 P1 C7 C12 67.6(2) . . . . ?
Rh1 P1 C7 C8 -102.39(19) . . . . ?
Rh1 P2 C24 C19 33.3(2) . . . . ?
Rh1 P2 C24 C23 -143.96(17) . . . . ?
Rh1 P2 C25 C30 68.3(2) . . . . ?
Rh1 P2 C25 C26 -109.03(19) . . . . ?
Rh1 P2 C31 C36 46.0(2) . . . . ?
Rh1 P2 C31 C32 -130.44(19) . . . . ?
Rh1 C40 C41 C42 93.13(17) . . . . ?
Rh1 C40 C39 C38 -4.2(2) . . . . ?
Rh1 C40 C39 C43 -107.12(19) . . . . ?
Rh1 C41 C42 C37 4.1(2) . . . . ?
Rh1 C41 C42 C43 106.93(18) . . . . ?
Rh1 C37 C38 C39 90.01(18) . . . . ?
Rh1 C38 C39 C40 4.0(2) . . . . ?
Rh1 C38 C39 C43 106.58(19) . . . . ?
P1 C13 C18 O1 3.6(3) . . . . ?
P1 C13 C18 C17 -179.3(2) . . . . ?
P1 C13 C14 C15 179.2(3) . . . . ?
P1 C6 C5 C4 172.9(3) . . . . ?
P1 C6 C5 C44 -4.8(5) . . . . ?
P1 C6 C1 C2 -176.5(3) . . . . ?
P1 C7 C12 C11 -170.5(2) . . . . ?
P1 C7 C12 C45 7.6(4) . . . . ?
P1 C7 C8 C9 170.4(2) . . . . ?
P2 C24 C19 O1 3.3(3) . . . . ?
P2 C24 C19 C20 -174.1(2) . . . . ?
P2 C24 C23 C22 175.7(2) . . . . ?
P2 C25 C30 C29 -174.5(2) . . . . ?
P2 C25 C30 C46 10.0(3) . . . . ?
P2 C25 C26 C27 174.6(2) . . . . ?
P2 C31 C36 C35 -175.9(2) . . . . ?
P2 C31 C36 C47 4.9(4) . . . . ?
P2 C31 C32 C33 175.2(2) . . . . ?
C48 C49 C50 C51 0.1(5) . . . . ?
C48 C49 C50 C54 -177.3(3) . . . . ?
C49 C48 C53 C52 0.0(3) . . . . ?
C49 C48 B1 C56 73.4(3) . . . . ?
C49 C48 B1 C64 -46.5(3) . . . . ?
C49 C48 B1 C72 -161.7(2) . . . . ?
C49 C50 C51 C52 -0.3(5) . . . . ?
C49 C50 C54 F1 -2.9(6) . . . . ?
C49 C50 C54 F2 114.7(4) . . . . ?
C49 C50 C54 F3 -130.0(4) . . . . ?
C50 C51 C52 C53 0.5(4) . . . . ?
C50 C51 C52 C55 -177.3(3) . . . . ?
C51 C50 C54 F1 179.8(4) . . . . ?
C51 C50 C54 F2 -62.7(5) . . . . ?
C51 C50 C54 F3 52.7(5) . . . . ?
C51 C52 C53 C48 -0.3(4) . . . . ?
C51 C52 C55 F4 144.3(3) . . . . ?
C51 C52 C55 F5 25.8(5) . . . . ?
C51 C52 C55 F6 -103.8(4) . . . . ?
C51 C52 C55 F4A 85.0(7) . . . . ?
C51 C52 C55 F5A -27.5(7) . . . . ?
C51 C52 C55 F6A -151.0(8) . . . . ?
C53 C48 C49 C50 0.1(4) . . . . ?
C53 C48 B1 C56 -102.5(2) . . . . ?
C53 C48 B1 C64 137.7(2) . . . . ?
C53 C48 B1 C72 22.4(3) . . . . ?
C53 C52 C55 F4 -33.5(4) . . . . ?
C53 C52 C55 F5 -152.0(4) . . . . ?
C53 C52 C55 F6 78.4(4) . . . . ?
C53 C52 C55 F4A -92.8(6) . . . . ?
C53 C52 C55 F5A 154.7(6) . . . . ?
C53 C52 C55 F6A 31.2(8) . . . . ?
C54 C50 C51 C52 177.0(4) . . . . ?
C55 C52 C53 C48 177.5(2) . . . . ?
C56 C57 C58 C59 -0.5(4) . . . . ?
C56 C57 C58 C62 178.5(3) . . . . ?
C57 C56 C61 C60 -2.8(3) . . . . ?
C57 C56 B1 C48 -94.2(2) . . . . ?
C57 C56 B1 C64 27.3(3) . . . . ?
C57 C56 B1 C72 143.3(2) . . . . ?
C57 C58 C59 C60 -2.0(4) . . . . ?
C57 C58 C62 F7 -57.6(4) . . . . ?
C57 C58 C62 F8 56.8(4) . . . . ?
C57 C58 C62 F9 -178.0(3) . . . . ?
C57 C58 C62 F7A 2.6(15) . . . . ?
C57 C58 C62 F8A 126.5(12) . . . . ?
C57 C58 C62 F9A -119.6(13) . . . . ?
C58 C59 C60 C61 2.0(4) . . . . ?
C58 C59 C60 C63 -177.0(2) . . . . ?
C59 C58 C62 F7 121.4(3) . . . . ?
C59 C58 C62 F8 -124.2(3) . . . . ?
C59 C58 C62 F9 1.0(5) . . . . ?
C59 C58 C62 F7A -178.4(15) . . . . ?
C59 C58 C62 F8A -54.5(13) . . . . ?
C59 C58 C62 F9A 59.4(13) . . . . ?
C59 C60 C61 C56 0.4(4) . . . . ?
C59 C60 C63 F10 78.6(3) . . . . ?
C59 C60 C63 F11 -40.8(4) . . . . ?
C59 C60 C63 F12 -163.0(3) . . . . ?
C61 C56 C57 C58 2.8(3) . . . . ?
C61 C56 B1 C48 80.0(2) . . . . ?
C61 C56 B1 C64 -158.4(2) . . . . ?
C61 C56 B1 C72 -42.5(3) . . . . ?
C61 C60 C63 F10 -100.4(3) . . . . ?
C61 C60 C63 F11 140.1(3) . . . . ?
C61 C60 C63 F12 18.0(4) . . . . ?
C62 C58 C59 C60 179.0(3) . . . . ?
C63 C60 C61 C56 179.5(2) . . . . ?
C64 C65 C66 C67 0.5(4) . . . . ?
C64 C65 C66 C70 -178.8(3) . . . . ?
C65 C64 C69 C68 2.1(3) . . . . ?
C65 C64 B1 C48 -28.2(3) . . . . ?
C65 C64 B1 C56 -144.6(2) . . . . ?
C65 C64 B1 C72 92.0(2) . . . . ?
C65 C66 C67 C68 0.8(4) . . . . ?
C65 C66 C70 F13 67.4(7) . . . . ?
C65 C66 C70 F14 -175.6(6) . . . . ?
C65 C66 C70 F15 -46.8(9) . . . . ?
C65 C66 C70 F13A 34.9(7) . . . . ?
C65 C66 C70 F14A 159.6(6) . . . . ?
C65 C66 C70 F15A -80.7(5) . . . . ?
C66 C67 C68 C69 -0.6(4) . . . . ?
C66 C67 C68 C71 179.5(2) . . . . ?
C67 C66 C70 F13 -111.9(6) . . . . ?
C67 C66 C70 F14 5.1(7) . . . . ?
C67 C66 C70 F15 133.9(8) . . . . ?
C67 C66 C70 F13A -144.4(6) . . . . ?
C67 C66 C70 F14A -19.7(7) . . . . ?
C67 C66 C70 F15A 100.0(5) . . . . ?
C67 C68 C69 C64 -0.9(4) . . . . ?
C67 C68 C71 F16 12.1(7) . . . . ?
C67 C68 C71 F17 128.3(5) . . . . ?
C67 C68 C71 F18 -114.7(7) . . . . ?
C67 C68 C71 F16A -22.1(6) . . . . ?
C67 C68 C71 F17A 97.2(6) . . . . ?
C67 C68 C71 F18A -139.9(5) . . . . ?
C69 C64 C65 C66 -1.9(3) . . . . ?
C69 C64 B1 C48 158.0(2) . . . . ?
C69 C64 B1 C56 41.5(3) . . . . ?
C69 C64 B1 C72 -81.8(2) . . . . ?
C69 C68 C71 F16 -167.8(6) . . . . ?
C69 C68 C71 F17 -51.5(6) . . . . ?
C69 C68 C71 F18 65.4(7) . . . . ?
C69 C68 C71 F16A 158.0(5) . . . . ?
C69 C68 C71 F17A -82.7(6) . . . . ?
C69 C68 C71 F18A 40.2(5) . . . . ?
C70 C66 C67 C68 -179.9(3) . . . . ?
C71 C68 C69 C64 179.0(2) . . . . ?
C72 C73 C74 C75 0.3(4) . . . . ?
C72 C73 C74 C78 179.5(2) . . . . ?
C73 C72 C77 C76 -1.5(3) . . . . ?
C73 C72 B1 C48 48.0(3) . . . . ?
C73 C72 B1 C56 166.7(2) . . . . ?
C73 C72 B1 C64 -73.2(2) . . . . ?
C73 C74 C75 C76 -1.9(4) . . . . ?
C73 C74 C78 F19 38.9(4) . . . . ?
C73 C74 C78 F20 -78.8(3) . . . . ?
C73 C74 C78 F21 156.7(3) . . . . ?
C74 C75 C76 C77 1.8(4) . . . . ?
C74 C75 C76 C79 -175.8(2) . . . . ?
C75 C74 C78 F19 -141.8(3) . . . . ?
C75 C74 C78 F20 100.5(3) . . . . ?
C75 C74 C78 F21 -24.1(4) . . . . ?
C75 C76 C77 C72 -0.1(4) . . . . ?
C75 C76 C79 F22 109.5(10) . . . . ?
C75 C76 C79 F23 -137.3(9) . . . . ?
C75 C76 C79 F24 -12.3(12) . . . . ?
C75 C76 C79 F22A 71.9(4) . . . . ?
C75 C76 C79 F23A -163.9(4) . . . . ?
C75 C76 C79 F24A -44.4(4) . . . . ?
C77 C72 C73 C74 1.5(3) . . . . ?
C77 C72 B1 C48 -139.7(2) . . . . ?
C77 C72 B1 C56 -21.0(3) . . . . ?
C77 C72 B1 C64 99.1(2) . . . . ?
C77 C76 C79 F22 -68.1(10) . . . . ?
C77 C76 C79 F23 45.1(9) . . . . ?
C77 C76 C79 F24 170.0(12) . . . . ?
C77 C76 C79 F22A -105.8(4) . . . . ?
C77 C76 C79 F23A 18.5(5) . . . . ?
C77 C76 C79 F24A 137.9(3) . . . . ?
C78 C74 C75 C76 178.8(2) . . . . ?
C79 C76 C77 C72 177.5(2) . . . . ?
B1 C48 C49 C50 -176.1(3) . . . . ?
B1 C48 C53 C52 176.0(2) . . . . ?
B1 C56 C57 C58 177.5(2) . . . . ?
B1 C56 C61 C60 -177.4(2) . . . . ?
B1 C64 C65 C66 -176.0(2) . . . . ?
B1 C64 C69 C68 176.4(2) . . . . ?
B1 C72 C73 C74 174.4(2) . . . . ?
B1 C72 C77 C76 -174.1(2) . . . . ?
O1 C18 C17 C16 176.6(3) . . . . ?
O1 C19 C20 C21 -179.7(2) . . . . ?
C40 C41 C42 C37 -68.7(3) . . . . ?
C40 C41 C42 C43 34.2(3) . . . . ?
C40 C39 C43 C42 51.9(2) . . . . ?
C41 C40 C39 C38 68.8(3) . . . . ?
C41 C40 C39 C43 -34.2(3) . . . . ?
C41 C42 C37 Rh1 -3.9(2) . . . . ?
C41 C42 C37 C38 69.7(3) . . . . ?
C41 C42 C43 C39 -52.2(2) . . . . ?
C42 C37 C38 Rh1 -90.65(18) . . . . ?
C42 C37 C38 C39 -0.6(3) . . . . ?
C37 C42 C43 C39 51.0(2) . . . . ?
C37 C38 C39 C40 -68.2(3) . . . . ?
C37 C38 C39 C43 34.4(3) . . . . ?
C38 C39 C43 C42 -51.5(2) . . . . ?
C39 C40 C41 Rh1 -93.17(17) . . . . ?
C39 C40 C41 C42 0.0(3) . . . . ?
C43 C42 C37 Rh1 -106.87(19) . . . . ?
C43 C42 C37 C38 -33.2(3) . . . . ?
C13 P1 C6 C5 -46.1(3) . . . . ?
C13 P1 C6 C1 129.4(2) . . . . ?
C13 P1 C7 C12 -67.5(2) . . . . ?
C13 P1 C7 C8 122.4(2) . . . . ?
C13 C18 C17 C16 -0.1(5) . . . . ?
C18 O1 C19 C24 89.8(3) . . . . ?
C18 O1 C19 C20 -92.7(3) . . . . ?
C18 C13 C14 C15 -2.2(5) . . . . ?
C18 C17 C16 C15 -1.4(6) . . . . ?
C17 C16 C15 C14 1.1(7) . . . . ?
C16 C15 C14 C13 0.8(6) . . . . ?
C14 C13 C18 O1 -175.1(2) . . . . ?
C14 C13 C18 C17 1.9(4) . . . . ?
C24 P2 C25 C30 -64.6(2) . . . . ?
C24 P2 C25 C26 118.1(2) . . . . ?
C24 P2 C31 C36 -179.1(2) . . . . ?
C24 P2 C31 C32 4.5(2) . . . . ?
C24 C19 C20 C21 -2.4(4) . . . . ?
C19 O1 C18 C13 -145.2(2) . . . . ?
C19 O1 C18 C17 37.8(4) . . . . ?
C19 C24 C23 C22 -1.6(4) . . . . ?
C19 C20 C21 C22 -0.1(4) . . . . ?
C20 C21 C22 C23 1.7(4) . . . . ?
C21 C22 C23 C24 -0.7(4) . . . . ?
C23 C24 C19 O1 -179.4(2) . . . . ?
C23 C24 C19 C20 3.2(4) . . . . ?
C6 P1 C13 C18 -63.5(2) . . . . ?
C6 P1 C13 C14 115.1(3) . . . . ?
C6 P1 C7 C12 -177.2(2) . . . . ?
C6 P1 C7 C8 12.8(2) . . . . ?
C6 C5 C4 C3 2.8(6) . . . . ?
C5 C6 C1 C2 -0.6(5) . . . . ?
C5 C4 C3 C2 0.0(8) . . . . ?
C4 C3 C2 C1 -3.1(7) . . . . ?
C3 C2 C1 C6 3.4(6) . . . . ?
C1 C6 C5 C4 -2.5(5) . . . . ?
C1 C6 C5 C44 179.8(3) . . . . ?
C44 C5 C4 C3 -179.4(4) . . . . ?
C7 P1 C13 C18 -175.3(2) . . . . ?
C7 P1 C13 C14 3.3(3) . . . . ?
C7 P1 C6 C5 65.6(3) . . . . ?
C7 P1 C6 C1 -118.9(2) . . . . ?
C7 C12 C11 C10 0.5(4) . . . . ?
C12 C7 C8 C9 0.2(4) . . . . ?
C12 C11 C10 C9 -0.2(5) . . . . ?
C11 C10 C9 C8 -0.2(5) . . . . ?
C10 C9 C8 C7 0.2(4) . . . . ?
C8 C7 C12 C11 -0.5(4) . . . . ?
C8 C7 C12 C45 177.6(3) . . . . ?
C45 C12 C11 C10 -177.7(3) . . . . ?
C25 P2 C24 C19 157.5(2) . . . . ?
C25 P2 C24 C23 -19.7(2) . . . . ?
C25 P2 C31 C36 -74.1(2) . . . . ?
C25 P2 C31 C32 109.4(2) . . . . ?
C25 C30 C29 C28 -0.8(4) . . . . ?
C30 C25 C26 C27 -2.7(4) . . . . ?
C30 C29 C28 C27 -1.3(5) . . . . ?
C29 C28 C27 C26 1.4(5) . . . . ?
C28 C27 C26 C25 0.6(4) . . . . ?
C26 C25 C30 C29 2.8(4) . . . . ?
C26 C25 C30 C46 -172.7(2) . . . . ?
C46 C30 C29 C28 174.9(3) . . . . ?
C31 P2 C24 C19 -93.3(2) . . . . ?
C31 P2 C24 C23 89.5(2) . . . . ?
C31 P2 C25 C30 -172.1(2) . . . . ?
C31 P2 C25 C26 10.6(2) . . . . ?
C31 C36 C35 C34 0.4(5) . . . . ?
C36 C31 C32 C33 -1.4(4) . . . . ?
C36 C35 C34 C33 -0.5(6) . . . . ?
C35 C34 C33 C32 -0.4(6) . . . . ?
C34 C33 C32 C31 1.3(5) . . . . ?
C32 C31 C36 C35 0.5(4) . . . . ?
C32 C31 C36 C47 -178.7(3) . . . . ?
C47 C36 C35 C34 179.6(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;

loop_
_publcif_info_exptl_table_extra_item
sin_theta_over_lambda_max

loop_
_publcif_info_exptl_table_header_item
?



_publcif_funding_html            
;
;
####################################################################### 
# 
# 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-iPr
_database_code_depnum_ccdc_archive 'CCDC 2064126'
loop_
_audit_author_name
_audit_author_address
'Timothy M. Boyd'
;University of Oxford
United Kingdom
;

_audit_update_record             
;
2021-02-21 deposited with the CCDC.	2021-05-25 downloaded from the CCDC.
;
_publcif_datablock.id            {7b83adcf-e1d6-4ea1-a79c-5698894d1eb6}
_audit_creation_date             2020-09-21
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C55 H60 O P2 Rh, C32 H12 B F24'
_chemical_formula_sum            'C87 H72 B F24 O P2 Rh'
_chemical_formula_weight         1765.10
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C60 H60 Rh1 P2 O1 B1 F24'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_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           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   20.43890(10)
_cell_length_b                   18.04470(10)
_cell_length_c                   24.4986(2)
_cell_angle_alpha                90
_cell_angle_beta                 113.5620(10)
_cell_angle_gamma                90
_cell_volume                     8282.12(11)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    61283
_cell_measurement_temperature    150.0(3)
_cell_measurement_theta_max      76.1560
_cell_measurement_theta_min      3.6610
_shelx_estimated_absorpt_T_max   0.868
_shelx_estimated_absorpt_T_min   0.594
_exptl_absorpt_coefficient_mu    2.909
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.87218
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.416
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3592
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0500
_diffrn_reflns_av_unetI/netI     0.0221
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            155774
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.221
_diffrn_reflns_theta_min         3.401
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.0(3)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.4102
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -44.00  23.00   1.00    2.40    --  -42.66  38.00 -60.00   67
  2  ω   -109.00 -21.00   1.00    2.40    --  -42.66 -38.00 150.00   88
  3  ω     14.00  65.00   1.00    2.40    --   42.66 -38.00  30.00   51
  4  ω    -30.00   6.00   1.00    2.40    --   42.66 -38.00  30.00   36
  5  ω     92.00 171.00   1.00    9.57    --  111.00  45.00 -90.00   79
  6  ω     48.00 100.00   1.00    9.57    --  111.00 -95.00 120.00   52
  7  ω     45.00  86.00   1.00    9.57    --  111.00 -30.00 -60.00   41
  8  ω     47.00 132.00   1.00    9.57    --  111.00 -61.00 -30.00   85
  9  ω    111.00 138.00   1.00    9.57    --  111.00  15.00-150.00   27
 10  ω     61.00 115.00   1.00    9.57    --  111.00-125.00 -60.00   54
 11  ω     33.00  74.00   1.00    9.57    --  111.00 -95.00 150.00   41
 12  ω     58.00  88.00   1.00    9.57    --  111.00 -30.00-150.00   30
 13  ω     75.00 112.00   1.00    9.57    --  111.00-125.00-120.00   37
 14  ω     82.00 107.00   1.00    9.57    --  111.00  15.00-150.00   25
 15  ω     42.00  79.00   1.00    9.57    --  111.00 -45.00 150.00   37
 16  ω    142.00 168.00   1.00    9.57    --  111.00  15.00-150.00   26
 17  ω     45.00  82.00   1.00    9.57    --  111.00 -45.00-180.00   37
 18  ω     91.00 131.00   1.00    9.57    --  111.00  61.00  90.00   40
 19  ω     93.00 175.00   1.00    9.57    --  111.00  30.00-120.00   82
 20  ω     -5.00  29.00   1.00    2.40    --  -42.66  38.00 -30.00   34
 21  ω     59.00 125.00   1.00    2.40    --   42.66 178.00  90.00   66
 22  ω     15.00  41.00   1.00    2.40    --   42.66 -38.00   0.00   26
 23  ω    -29.00  -4.00   1.00    2.40    --   42.66 -38.00   0.00   25
 24  ω     90.00 129.00   1.00    2.40    --   42.66 178.00 -90.00   39
 25  ω     92.00 118.00   1.00    9.57    --  111.00-125.00   0.00   26
 26  ω     41.00  75.00   1.00    9.57    --  111.00-125.00   0.00   34
 27  ω     55.00  82.00   1.00    9.57    --  111.00 -45.00 -90.00   27
 28  ω     43.00  95.00   1.00    9.57    --  111.00-125.00 120.00   52
 29  ω     57.00  83.00   1.00    9.57    --  111.00-125.00 150.00   26
 30  ω     52.00  87.00   1.00    9.57    --  111.00 -77.00-150.00   35
 31  ω     91.00 140.00   1.00    9.57    --  111.00 -77.00-150.00   49
 32  ω     93.00 118.00   1.00    9.57    --  111.00-125.00-120.00   25
 33  ω    116.00 142.00   1.00    9.57    --  111.00 -77.00 -60.00   26
 34  ω    129.00 155.00   1.00    9.57    --  111.00 125.00 -60.00   26
 35  ω     70.00  96.00   1.00    9.57    --  111.00 -45.00  90.00   26
 36  ω     42.00  68.00   1.00    9.57    --  111.00 -45.00  90.00   26
 37  ω     86.00 112.00   1.00    9.57    --  111.00-125.00  90.00   26
 38  ω     85.00 125.00   1.00    9.57    --  111.00  15.00  60.00   40
 39  ω     93.00 118.00   1.00    9.57    --  111.00-125.00 150.00   25
 40  ω     83.00 115.00   1.00    9.57    --  111.00-125.00-150.00   32
 41  ω     95.00 121.00   1.00    9.57    --  111.00 125.00   0.00   26
 42  ω    153.00 178.00   1.00    9.57    --  111.00 125.00   0.00   25
 43  ω    128.00 156.00   1.00    9.57    --  111.00 125.00  60.00   28
 44  ω     40.00  99.00   1.00    9.57    --  111.00-125.00  30.00   59
 45  ω    107.00 177.00   1.00    9.57    --  111.00  15.00 -30.00   70
 46  ω     39.00  70.00   1.00    9.57    --  111.00-125.00  90.00   31
 47  ω     86.00 118.00   1.00    9.57    --  111.00-125.00  60.00   32
 48  ω     40.00  85.00   1.00    9.57    --  111.00 -30.00  90.00   45
 49  ω      2.00  27.00   1.00    2.40    --   38.00  90.00-160.20   25
 50  ω    -52.00 -25.00   1.00    2.40    --  -42.66 -38.00  60.00   27
 51  ω    -73.00 -14.00   1.00    2.40    --  -42.66 -19.00-180.00   59
 52  ω    -53.00 -16.00   1.00    2.40    --  -42.66 -57.00  30.00   37
 53  ω   -109.00 -16.00   1.00    2.40    --  -42.66 -57.00 -60.00   93
 54  ω   -112.00 -57.00   1.00    2.40    --  -42.66 -57.00  30.00   55
 55  ω     79.00 126.00   1.00    2.40    --   42.66-178.00   0.00   47
 56  ω     17.00  42.00   1.00    2.40    --   50.00  82.00  48.16   25
 57  ω     18.00  43.00   1.00    2.40    --   50.00  81.00 163.08   25
 58  ω     18.00  43.00   1.00    2.40    --   50.00  81.00-144.11   25
 59  ω     17.00  42.00   1.00    2.40    --   50.00  82.00 -78.23   25
 60  ω     18.00  43.00   1.00    2.40    --   50.00  81.00 -11.51   25
 61  ω     19.00  45.00   1.00    2.40    --   50.00  81.00 105.40   26
 62  ω     33.00  59.00   1.00    2.40    --   62.00  77.00 121.74   26
 63  ω     32.00  57.00   1.00    2.40    --   62.00  76.00-113.14   25
 64  ω     39.00  65.00   1.00    2.40    --   70.00  75.00 155.57   26
 65  ω     39.00  65.00   1.00    2.40    --   70.00  76.00-169.45   26
 66  ω     39.00  65.00   1.00    2.40    --   70.00  76.00  54.97   26
 67  ω     40.00  65.00   1.00    2.40    --   70.00  76.00 -98.27   25
 68  ω     43.00  69.00   1.00    2.40    --   74.00  77.00  70.74   26
 69  ω     43.00  69.00   1.00    2.40    --   74.00  77.00 113.15   26
 70  ω     43.00  69.00   1.00    2.40    --   74.00  77.00 -11.14   26
 71  ω     43.00  69.00   1.00    2.40    --   74.00  77.00  12.27   26
 72  ω    107.00 148.00   1.00    2.40    --   74.00  77.00 -67.80   41
 73  ω     43.00  69.00   1.00    2.40    --   74.00  75.00 -29.26   26
 74  ω     43.00  68.00   1.00    2.40    --   74.00  75.00-141.51   25
 75  ω     43.00  69.00   1.00    2.40    --   74.00  77.00 -67.80   26
 76  ω     43.00  68.00   1.00    2.40    --   74.00  77.00 -86.15   25
 77  ω     48.00  74.00   1.00    9.57    --   78.00  70.00  -3.37   26
 78  ω     55.00  81.00   1.00    9.57    --   82.00  60.00  98.33   26
 79  ω     57.00  82.00   1.00    9.57    --   86.00  66.00-166.01   25
 80  ω     61.00  87.00   1.00    9.57    --   86.00  56.00  43.13   26
 81  ω     58.00  84.00   1.00    9.57    --   86.00  76.00-123.47   26
 82  ω     63.00  88.00   1.00    9.57    --   90.00  59.00 173.68   25
 83  ω     61.00  91.00   1.00    9.57    --   90.00  70.00 117.47   30
 84  ω    132.00 161.00   1.00    9.57    --   90.00  70.00 -47.54   29
 85  ω     61.00  68.00   1.00    9.57    --   90.00  70.00 -47.54    7
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0505504000
_diffrn_orient_matrix_UB_12      0.0673351000
_diffrn_orient_matrix_UB_13      0.0173421000
_diffrn_orient_matrix_UB_21      -0.0419683000
_diffrn_orient_matrix_UB_22      0.0345631000
_diffrn_orient_matrix_UB_23      -0.0616945000
_diffrn_orient_matrix_UB_31      -0.0494705000
_diffrn_orient_matrix_UB_32      0.0395088000
_diffrn_orient_matrix_UB_33      0.0244627000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                14838
_reflns_number_total             17246
_reflns_odcompleteness_completeness 99.87
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     74.33
_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       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.714
_refine_diff_density_min         -0.329
_refine_diff_density_rms         0.049
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1175
_refine_ls_number_reflns         17246
_refine_ls_number_restraints     148
_refine_ls_R_factor_all          0.0384
_refine_ls_R_factor_gt           0.0306
_refine_ls_restrained_S_all      1.036
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0392P)²+4.5858P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0753
_refine_ls_wR_factor_ref         0.0801
_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
2. Restrained distances
 F9A-F7A \\sim F7A-F8A
 with sigma of 0.02
 F9-F7 \\sim F7-F8
 with sigma of 0.02
 F4A-F5A \\sim F5A-F6A
 with sigma of 0.02
 F4-F5 \\sim F5-F6
 with sigma of 0.02
3. Rigid body (RIGU) restrains
 C67, F5A, F6A, F4A, F4, F5, F6
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 F12, F11, F10, C75, F12A, F10A, F11A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 F9, F7, F8, C86, F9A, F8A, F7A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 F3, F2, F1, F3A, F1A, F2A, C62
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
4. Others
 Sof(F3A)=Sof(F1A)=Sof(F2A)=1-FVAR(1)
 Sof(F3)=Sof(F2)=Sof(F1)=FVAR(1)
 Sof(O1A)=1-FVAR(2)
 Sof(O1)=FVAR(2)
 Sof(F9A)=Sof(F8A)=Sof(F7A)=1-FVAR(3)
 Sof(F9)=Sof(F7)=Sof(F8)=FVAR(3)
 Sof(F12A)=Sof(F10A)=Sof(F11A)=1-FVAR(4)
 Sof(F12)=Sof(F11)=Sof(F10)=FVAR(4)
 Sof(F4)=Sof(F5)=Sof(F6)=1-FVAR(5)
 Sof(F5A)=Sof(F6A)=Sof(F4A)=FVAR(5)
5.a Ternary CH refined with riding coordinates:
 C37(H37), C38(H38), C42(H42), C39(H39), C50(H50), C41(H41), C40(H40),
 C53(H53), C47(H47), C44(H44)
5.b Secondary CH2 refined with riding coordinates:
 C43(H43A,H43B)
5.c Aromatic/amide H refined with riding coordinates:
 C26(H26), C8(H8), C57(H57), C29(H29), C73(H73), C9(H9), C79(H79), C76(H76),
 C71(H71), C23(H23), C10(H10), C28(H28), C81(H81), C1(H1), C60(H60), C87(H87),
 C34(H34), C11(H11), C35(H35), C63(H63), C27(H27), C22(H22), C2(H2), C68(H68),
 C32(H32), C84(H84), C33(H33), C65(H65), C14(H14), C17(H17), C16(H16), C20(H20),
  C3(H3), C4(H4), C21(H21), C15(H15)
5.d Idealised Me refined as rotating group:
 C49(H49A,H49B,H49C), C51(H51A,H51B,H51C), C46(H46A,H46B,H46C), C52(H52A,H52B,
 H52C), C48(H48A,H48B,H48C), C55(H55A,H55B,H55C), C54(H54A,H54B,H54C), C45(H45A,
 H45B,H45C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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
Rh1 Rh 0.62675(2) 0.65552(2) 0.74450(2) 0.02081(4) Uani 1 1 d . . . . .
P2 P 0.65321(2) 0.78513(2) 0.77004(2) 0.02105(9) Uani 1 1 d . . . . .
P1 P 0.72788(2) 0.61246(2) 0.72346(2) 0.02036(8) Uani 1 1 d . . . . .
F19 F 1.51335(7) 0.70846(8) 0.90306(7) 0.0519(3) Uani 1 1 d . . . . .
F23 F 1.41989(7) 0.48094(8) 0.99715(8) 0.0596(4) Uani 1 1 d . . . . .
F18 F 1.05978(9) 0.56114(9) 0.72390(7) 0.0635(4) Uani 1 1 d . . . . .
F14 F 1.31796(9) 0.73308(9) 1.17122(7) 0.0634(4) Uani 1 1 d . . . . .
F22 F 1.38823(9) 0.43502(11) 1.06200(7) 0.0719(5) Uani 1 1 d . . . . .
F24 F 1.36405(9) 0.37911(8) 0.97916(9) 0.0746(5) Uani 1 1 d . . . . .
F20 F 1.41600(9) 0.69191(11) 0.82735(7) 0.0674(5) Uani 1 1 d . . . . .
F17 F 1.06066(11) 0.63973(11) 0.65961(7) 0.0788(5) Uani 1 1 d . . . . .
F15 F 1.24270(9) 0.80446(11) 1.18299(7) 0.0705(5) Uani 1 1 d . . . . .
F16 F 1.15663(9) 0.58554(11) 0.71555(8) 0.0754(5) Uani 1 1 d . . . . .
F21 F 1.44989(10) 0.61216(8) 0.89757(10) 0.0791(6) Uani 1 1 d . . . . .
C37 C 0.59574(9) 0.54181(9) 0.75216(8) 0.0252(3) Uani 1 1 d . . . . .
H37 H 0.629041 0.500078 0.760646 0.030 Uiso 1 1 calc R U . . .
F13 F 1.31014(11) 0.84400(10) 1.14201(7) 0.0777(6) Uani 1 1 d . . . . .
F12 F 1.48450(12) 0.89941(14) 1.03942(15) 0.0654(10) Uani 0.775(8) 1 d . . P A
1
C25 C 0.56979(9) 0.83089(9) 0.76239(8) 0.0235(3) Uani 1 1 d . . . . .
C38 C 0.55567(9) 0.56629(9) 0.69506(8) 0.0263(4) Uani 1 1 d . . . . .
H38 H 0.558073 0.543471 0.659604 0.032 Uiso 1 1 calc R U . . .
C26 C 0.55711(10) 0.83653(10) 0.81437(9) 0.0281(4) Uani 1 1 d . . . . .
H26 H 0.594135 0.827189 0.851052 0.034 Uiso 1 1 calc R U . . .
C7 C 0.73637(9) 0.51096(9) 0.73063(8) 0.0222(3) Uani 1 1 d . . . . .
C30 C 0.51387(9) 0.84593(9) 0.70670(8) 0.0253(3) Uani 1 1 d . . . . .
C80 C 1.17034(9) 0.71057(11) 0.86578(9) 0.0293(4) Uani 1 1 d . . . . .
O1A O 0.7644(6) 0.7565(3) 0.7332(14) 0.048(5) Uani 0.35(3) 1 d . . P B 2
C8 C 0.70774(10) 0.46878(10) 0.67838(8) 0.0273(4) Uani 1 1 d . . . . .
H8 H 0.685436 0.492695 0.641962 0.033 Uiso 1 1 calc R U . . .
C24 C 0.69563(10) 0.84916(10) 0.73569(8) 0.0266(4) Uani 1 1 d . . . . .
C6 C 0.70324(9) 0.63793(10) 0.64480(8) 0.0256(3) Uani 1 1 d . . . . .
C64 C 1.19630(10) 0.72351(11) 0.98397(9) 0.0318(4) Uani 1 1 d . . . . .
F9 F 1.1061(3) 0.9260(3) 0.8052(2) 0.0884(18) Uani 0.685(4) 1 d D . P C 1
C42 C 0.55216(10) 0.55817(10) 0.78920(9) 0.0286(4) Uani 1 1 d . . . . .
H42 H 0.565453 0.531738 0.827064 0.034 Uiso 1 1 calc R U . . .
F7 F 1.00278(19) 0.8773(3) 0.7645(2) 0.0749(15) Uani 0.685(4) 1 d D . P C 1
C39 C 0.48651(10) 0.59837(10) 0.69599(9) 0.0295(4) Uani 1 1 d . . . . .
H39 H 0.446074 0.605159 0.657628 0.035 Uiso 1 1 calc R U . . .
C72 C 1.30116(9) 0.72997(10) 0.94097(8) 0.0265(4) Uani 1 1 d . . . . .
C57 C 1.29553(10) 0.56180(11) 0.97072(8) 0.0282(4) Uani 1 1 d . . . . .
H57 H 1.338593 0.587283 0.983091 0.034 Uiso 1 1 calc R U . . .
C12 C 0.76652(9) 0.47435(10) 0.78617(8) 0.0243(3) Uani 1 1 d . . . . .
C29 C 0.44766(10) 0.86616(10) 0.70657(10) 0.0315(4) Uani 1 1 d . . . . .
H29 H 0.410488 0.877744 0.670511 0.038 Uiso 1 1 calc R U . . .
C73 C 1.32726(10) 0.79812(10) 0.96835(8) 0.0272(4) Uani 1 1 d . . . . .
H73 H 1.300858 0.824293 0.985272 0.033 Uiso 1 1 calc R U . . .
C9 C 0.71198(11) 0.39224(11) 0.67987(9) 0.0333(4) Uani 1 1 d . . . . .
H9 H 0.693156 0.365185 0.644664 0.040 Uiso 1 1 calc R U . . .
C79 C 1.34200(10) 0.69608(11) 0.91366(8) 0.0290(4) Uani 1 1 d . . . . .
H79 H 1.325509 0.652171 0.892805 0.035 Uiso 1 1 calc R U . . .
C69 C 1.21823(11) 0.76371(11) 1.08526(9) 0.0336(4) Uani 1 1 d . . . . .
F11 F 1.4126(2) 0.95457(13) 0.96353(10) 0.0761(15) Uani 0.775(8) 1 d . . P A 1
C76 C 1.43192(10) 0.79161(11) 0.94587(8) 0.0296(4) Uani 1 1 d . . . . .
H76 H 1.475265 0.810965 0.948536 0.036 Uiso 1 1 calc R U . . .
C50 C 0.79455(10) 0.51315(11) 0.84663(8) 0.0298(4) Uani 1 1 d . . . . .
H50 H 0.792891 0.566745 0.839717 0.036 Uiso 1 1 calc R U . . .
C71 C 1.24238(10) 0.74147(10) 1.04193(9) 0.0302(4) Uani 1 1 d . . . . .
H71 H 1.291306 0.738524 1.052219 0.036 Uiso 1 1 calc R U . . .
C31 C 0.71418(9) 0.78767(10) 0.84909(8) 0.0260(4) Uani 1 1 d . . . . .
C58 C 1.29681(10) 0.48531(11) 0.97767(8) 0.0294(4) Uani 1 1 d . . . . .
C56 C 1.23169(10) 0.60186(11) 0.94575(8) 0.0279(4) Uani 1 1 d . . . . .
C23 C 0.67083(11) 0.91894(12) 0.71322(9) 0.0355(4) Uani 1 1 d . . . . .
H23 H 0.629064 0.937090 0.714852 0.043 Uiso 1 1 calc R U . . .
C10 C 0.74417(11) 0.35620(11) 0.73363(10) 0.0337(4) Uani 1 1 d . . . . .
H10 H 0.748393 0.304851 0.734917 0.040 Uiso 1 1 calc R U . . .
C41 C 0.55685(10) 0.64319(10) 0.79162(9) 0.0293(4) Uani 1 1 d . . . . .
H41 H 0.562785 0.671850 0.827275 0.035 Uiso 1 1 calc R U . . .
C74 C 1.39136(10) 0.82817(10) 0.97116(8) 0.0280(4) Uani 1 1 d . . . . .
C13 C 0.82191(9) 0.64158(10) 0.75903(8) 0.0259(4) Uani 1 1 d . . . . .
C40 C 0.51617(9) 0.66758(10) 0.73439(9) 0.0288(4) Uani 1 1 d . . . . .
H40 H 0.491147 0.715265 0.726080 0.035 Uiso 1 1 calc R U . . .
C28 C 0.43564(10) 0.86950(10) 0.75815(10) 0.0339(4) Uani 1 1 d . . . . .
H28 H 0.390424 0.881054 0.756238 0.041 Uiso 1 1 calc R U . . .
F8 F 1.06597(14) 0.89364(14) 0.71556(12) 0.0644(9) Uani 0.685(4) 1 d D . P C 1
C81 C 1.15499(10) 0.65927(11) 0.81984(9) 0.0308(4) Uani 1 1 d . . . . .
H81 H 1.174058 0.611858 0.829174 0.037 Uiso 1 1 calc R U . . .
C77 C 1.40621(10) 0.72549(11) 0.91650(8) 0.0290(4) Uani 1 1 d . . . . .
C5 C 0.74067(10) 0.62184(12) 0.60889(9) 0.0323(4) Uani 1 1 d . . . . .
C43 C 0.47540(10) 0.54706(10) 0.74197(9) 0.0313(4) Uani 1 1 d . . . . .
H43A H 0.465465 0.496167 0.728420 0.038 Uiso 1 1 calc R U . . .
H43B H 0.439229 0.565166 0.754899 0.038 Uiso 1 1 calc R U . . .
C1 C 0.64356(10) 0.68448(11) 0.62200(9) 0.0330(4) Uani 1 1 d . . . . .
H1 H 0.618508 0.694782 0.645523 0.040 Uiso 1 1 calc R U . . .
C60 C 1.23407(11) 0.44493(11) 0.96102(8) 0.0320(4) Uani 1 1 d . . . . .
H60 H 1.234958 0.393674 0.965231 0.038 Uiso 1 1 calc R U . . .
C87 C 1.14118(10) 0.78143(11) 0.84827(10) 0.0367(4) Uani 1 1 d . . . . .
H87 H 1.150342 0.818128 0.877037 0.044 Uiso 1 1 calc R U . . .
C36 C 0.74222(10) 0.85187(10) 0.88300(8) 0.0275(4) Uani 1 1 d . . . . .
C34 C 0.82051(11) 0.77376(13) 0.96381(9) 0.0402(5) Uani 1 1 d . . . . .
H34 H 0.856627 0.769746 1.001729 0.048 Uiso 1 1 calc R U . . .
C11 C 0.77015(10) 0.39717(11) 0.78568(9) 0.0300(4) Uani 1 1 d . . . . .
H11 H 0.790873 0.372259 0.821807 0.036 Uiso 1 1 calc R U . . .
C35 C 0.79588(11) 0.84286(12) 0.93987(9) 0.0349(4) Uani 1 1 d . . . . .
H35 H 0.815784 0.884788 0.962493 0.042 Uiso 1 1 calc R U . . .
C61 C 1.17014(10) 0.48322(12) 0.93797(8) 0.0327(4) Uani 1 1 d . . . . .
F3 F 1.0454(2) 0.4740(3) 0.8855(4) 0.085(3) Uani 0.556(12) 1 d . . P D 1
C53 C 0.80630(11) 0.57312(13) 0.62707(9) 0.0391(5) Uani 1 1 d . . . . .
H53 H 0.814034 0.550635 0.665574 0.047 Uiso 1 1 calc R U . . .
C63 C 1.16918(10) 0.55963(11) 0.93046(9) 0.0316(4) Uani 1 1 d . . . . .
H63 H 1.125341 0.583759 0.914661 0.038 Uiso 1 1 calc R U . . .
C27 C 0.49037(11) 0.85578(10) 0.81217(10) 0.0344(4) Uani 1 1 d . . . . .
H27 H 0.482818 0.859356 0.847076 0.041 Uiso 1 1 calc R U . . .
F10 F 1.38144(18) 0.92519(17) 1.03281(18) 0.0840(17) Uani 0.775(8) 1 d . . P A
1
C49 C 0.47073(11) 0.77649(12) 0.60851(10) 0.0395(5) Uani 1 1 d . . . . .
H49A H 0.487713 0.729356 0.626902 0.059 Uiso 1 1 calc R U . . .
H49B H 0.471343 0.777242 0.569539 0.059 Uiso 1 1 calc R U . . .
H49C H 0.422841 0.784230 0.605253 0.059 Uiso 1 1 calc R U . . .
C47 C 0.51916(10) 0.83820(10) 0.64662(8) 0.0288(4) Uani 1 1 d . . . . .
H47 H 0.568612 0.825682 0.653914 0.035 Uiso 1 1 calc R U . . .
C75 C 1.41727(11) 0.90136(12) 1.00085(10) 0.0365(4) Uani 1 1 d . . . . .
C44 C 0.71750(11) 0.92996(10) 0.86120(9) 0.0317(4) Uani 1 1 d . . . . .
H44 H 0.677938 0.925819 0.822017 0.038 Uiso 1 1 calc R U . . .
C51 C 0.87203(12) 0.49180(14) 0.88571(10) 0.0441(5) Uani 1 1 d . . . . .
H51A H 0.873689 0.441120 0.898117 0.066 Uiso 1 1 calc R U . . .
H51B H 0.889848 0.523320 0.920128 0.066 Uiso 1 1 calc R U . . .
H51C H 0.900967 0.497616 0.863305 0.066 Uiso 1 1 calc R U . . .
C22 C 0.70833(14) 0.96192(15) 0.68821(11) 0.0513(6) Uani 1 1 d . . . . .
H22 H 0.691732 1.008825 0.673374 0.062 Uiso 1 1 calc R U . . .
C2 C 0.62047(12) 0.71565(13) 0.56603(10) 0.0430(5) Uani 1 1 d . . . . .
H2 H 0.580666 0.746441 0.552221 0.052 Uiso 1 1 calc R U . . .
C68 C 1.14587(12) 0.76502(14) 1.07272(11) 0.0443(5) Uani 1 1 d . . . . .
H68 H 1.129279 0.779087 1.101436 0.053 Uiso 1 1 calc R U . . .
C32 C 0.73874(11) 0.71811(11) 0.87426(9) 0.0345(4) Uani 1 1 d . . . . .
H32 H 0.719268 0.675685 0.852175 0.041 Uiso 1 1 calc R U . . .
C59 C 1.36646(11) 0.44474(12) 1.00363(10) 0.0378(4) Uani 1 1 d . . . . .
C84 C 1.08378(11) 0.74594(13) 0.74478(10) 0.0400(5) Uani 1 1 d . . . . .
H84 H 1.055129 0.757386 0.705393 0.048 Uiso 1 1 calc R U . . .
C33 C 0.79124(12) 0.71085(13) 0.93114(10) 0.0418(5) Uani 1 1 d . . . . .
H33 H 0.806610 0.664133 0.947162 0.050 Uiso 1 1 calc R U . . .
C65 C 1.12342(11) 0.72597(14) 0.97240(11) 0.0433(5) Uani 1 1 d . . . . .
H65 H 1.090308 0.714720 0.934315 0.052 Uiso 1 1 calc R U . . .
C85 C 1.09895(11) 0.79845(12) 0.78912(11) 0.0423(5) Uani 1 1 d . . . . .
C14 C 0.88008(10) 0.59346(13) 0.77398(10) 0.0362(4) Uani 1 1 d . . . . .
H14 H 0.872170 0.542842 0.767508 0.043 Uiso 1 1 calc R U . . .
C46 C 0.68935(14) 0.97075(13) 0.90248(10) 0.0442(5) Uani 1 1 d . . . . .
H46A H 0.653749 0.940905 0.908238 0.066 Uiso 1 1 calc R U . . .
H46B H 0.668685 1.017159 0.884764 0.066 Uiso 1 1 calc R U . . .
H46C H 0.728040 0.979666 0.940221 0.066 Uiso 1 1 calc R U . . .
C83 C 1.09728(12) 0.61625(15) 0.71490(10) 0.0447(5) Uani 1 1 d . . . . .
C18 C 0.83634(12) 0.71596(12) 0.77030(11) 0.0411(5) Uani 1 1 d . . . . .
C17 C 0.90563(15) 0.74385(16) 0.79650(13) 0.0595(8) Uani 1 1 d . . . . .
H17 H 0.913971 0.794058 0.804996 0.071 Uiso 1 1 calc R U . . .
C82 C 1.11252(10) 0.67553(12) 0.76066(9) 0.0342(4) Uani 1 1 d . . . . .
C62 C 1.10144(12) 0.44135(14) 0.91964(11) 0.0462(5) Uani 1 1 d . . . . .
C70 C 1.27149(12) 0.78646(12) 1.14473(10) 0.0377(4) Uani 1 1 d . . . . .
C78 C 1.44623(12) 0.68446(12) 0.88641(11) 0.0402(5) Uani 1 1 d . . . . .
C52 C 0.74792(12) 0.49566(14) 0.88113(9) 0.0425(5) Uani 1 1 d . . . . .
H52A H 0.700873 0.515381 0.859932 0.064 Uiso 1 1 calc R U . . .
H52B H 0.768717 0.517745 0.919974 0.064 Uiso 1 1 calc R U . . .
H52C H 0.745059 0.442953 0.885015 0.064 Uiso 1 1 calc R U . . .
C19 C 0.75893(12) 0.82446(12) 0.73390(12) 0.0432(5) Uani 1 1 d . . . . .
C66 C 1.09909(12) 0.74469(16) 1.01605(12) 0.0515(6) Uani 1 1 d . . . . .
B1 B 1.22541(11) 0.69218(12) 0.93491(10) 0.0274(4) Uani 1 1 d . . . . .
C16 C 0.96162(12) 0.69436(17) 0.80944(11) 0.0557(7) Uani 1 1 d . . . . .
H16 H 1.008302 0.711846 0.825952 0.067 Uiso 1 1 calc R U . . .
C48 C 0.49998(12) 0.91084(12) 0.61109(10) 0.0415(5) Uani 1 1 d . . . . .
H48A H 0.449912 0.920551 0.598699 0.062 Uiso 1 1 calc R U . . .
H48B H 0.511084 0.906587 0.576667 0.062 Uiso 1 1 calc R U . . .
H48C H 0.526944 0.950821 0.635679 0.062 Uiso 1 1 calc R U . . .
C20 C 0.79641(15) 0.86608(15) 0.70823(13) 0.0557(7) Uani 1 1 d . . . . .
H20 H 0.838136 0.848035 0.706450 0.067 Uiso 1 1 calc R U . . .
C3 C 0.65727(13) 0.70049(14) 0.53085(10) 0.0474(6) Uani 1 1 d . . . . .
H3 H 0.642791 0.721375 0.493125 0.057 Uiso 1 1 calc R U . . .
C4 C 0.71576(13) 0.65409(14) 0.55209(10) 0.0438(5) Uani 1 1 d . . . . .
H4 H 0.739698 0.643745 0.527698 0.053 Uiso 1 1 calc R U . . .
C55 C 0.87212(13) 0.61969(18) 0.63523(12) 0.0585(7) Uani 1 1 d . . . . .
H55A H 0.866909 0.640326 0.597595 0.088 Uiso 1 1 calc R U . . .
H55B H 0.913902 0.588936 0.650288 0.088 Uiso 1 1 calc R U . . .
H55C H 0.876838 0.659038 0.662932 0.088 Uiso 1 1 calc R U . . .
C21 C 0.76999(15) 0.93499(17) 0.68544(11) 0.0562(7) Uani 1 1 d . . . . .
H21 H 0.794210 0.963637 0.667966 0.067 Uiso 1 1 calc R U . . .
C15 C 0.94953(12) 0.62029(16) 0.79840(11) 0.0511(6) Uani 1 1 d . . . . .
H15 H 0.987776 0.587875 0.807229 0.061 Uiso 1 1 calc R U . . .
C54 C 0.79654(17) 0.51015(17) 0.58226(11) 0.0612(8) Uani 1 1 d . . . . .
H54A H 0.755297 0.481395 0.578103 0.092 Uiso 1 1 calc R U . . .
H54B H 0.838040 0.478949 0.596340 0.092 Uiso 1 1 calc R U . . .
H54C H 0.790183 0.530772 0.544347 0.092 Uiso 1 1 calc R U . . .
C45 C 0.77690(14) 0.97474(13) 0.85333(11) 0.0471(5) Uani 1 1 d . . . . .
H45A H 0.815400 0.982134 0.891448 0.071 Uiso 1 1 calc R U . . .
H45B H 0.758426 1.021936 0.835882 0.071 Uiso 1 1 calc R U . . .
H45C H 0.794054 0.948179 0.827736 0.071 Uiso 1 1 calc R U . . .
F2 F 1.1028(3) 0.3769(4) 0.8920(5) 0.110(3) Uani 0.556(12) 1 d . . P D 1
C86 C 1.06672(14) 0.87383(14) 0.77189(14) 0.0611(7) Uani 1 1 d . . . . .
F1 F 1.0906(3) 0.4192(5) 0.96656(16) 0.094(3) Uani 0.556(12) 1 d . . P D 1
C67 C 1.02009(16) 0.7412(2) 1.00135(17) 0.0779(8) Uani 1 1 d . . . . .
F3A F 1.0585(4) 0.4726(6) 0.9437(6) 0.119(5) Uani 0.444(12) 1 d . . P D 2
F1A F 1.1058(3) 0.3759(4) 0.9332(5) 0.102(4) Uani 0.444(12) 1 d . . P D 2
F2A F 1.0647(6) 0.4509(7) 0.8648(3) 0.130(5) Uani 0.444(12) 1 d . . P D 2
O1 O 0.7820(4) 0.75640(17) 0.7685(6) 0.0391(18) Uani 0.65(3) 1 d . . P B 1
F9A F 1.0383(4) 0.8976(3) 0.8259(4) 0.087(2) Uani 0.315(4) 1 d D . P C 2
F8A F 1.0981(6) 0.9270(6) 0.7782(7) 0.115(5) Uani 0.315(4) 1 d D . P C 2
F7A F 0.9987(6) 0.8751(8) 0.7371(5) 0.122(5) Uani 0.315(4) 1 d D . P C 2
F12A F 1.3665(5) 0.9494(4) 0.9835(6) 0.077(5) Uani 0.225(8) 1 d . . P A 2
F10A F 1.4635(10) 0.9311(8) 0.9818(9) 0.130(8) Uani 0.225(8) 1 d . . P A 2
F11A F 1.4417(10) 0.8999(5) 1.0535(3) 0.102(7) Uani 0.225(8) 1 d . . P A 2
F5A F 0.9819(4) 0.7612(7) 0.9456(3) 0.124(3) Uani 0.544(11) 1 d D . P E 1
F6A F 1.0014(2) 0.8004(5) 1.0293(3) 0.099(2) Uani 0.544(11) 1 d D . P E 1
F4A F 0.9993(4) 0.6855(5) 1.0142(6) 0.166(4) Uani 0.544(11) 1 d D . P E 1
F4 F 1.0034(3) 0.7434(8) 1.0477(3) 0.114(3) Uani 0.456(11) 1 d D . P E 2
F5 F 0.9966(4) 0.6674(4) 0.9826(4) 0.112(2) Uani 0.456(11) 1 d D . P E 2
F6 F 0.9794(7) 0.7779(7) 0.9569(6) 0.137(4) Uani 0.456(11) 1 d D . P E 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
Rh1 P2 2.4254(4) . ?
Rh1 P1 2.4484(4) . ?
Rh1 C37 2.1777(16) . ?
Rh1 C38 2.1826(17) . ?
Rh1 C41 2.1775(17) . ?
Rh1 C40 2.1837(17) . ?
P2 C25 1.8355(17) . ?
P2 C24 1.8379(18) . ?
P2 C31 1.8374(19) . ?
P1 C7 1.8414(17) . ?
P1 C6 1.8445(18) . ?
P1 C13 1.8413(18) . ?
F19 C78 1.337(3) . ?
F23 C59 1.335(3) . ?
F18 C83 1.327(3) . ?
F14 C70 1.326(2) . ?
F22 C59 1.329(3) . ?
F24 C59 1.319(2) . ?
F20 C78 1.334(3) . ?
F17 C83 1.328(3) . ?
F15 C70 1.331(2) . ?
F16 C83 1.328(3) . ?
F21 C78 1.329(3) . ?
C37 H37 0.9800 . ?
C37 C38 1.381(3) . ?
C37 C42 1.533(2) . ?
F13 C70 1.322(3) . ?
F12 C75 1.321(3) . ?
C25 C26 1.401(2) . ?
C25 C30 1.412(3) . ?
C38 H38 0.9800 . ?
C38 C39 1.536(2) . ?
C26 H26 0.9300 . ?
C26 C27 1.388(3) . ?
C7 C8 1.401(2) . ?
C7 C12 1.413(2) . ?
C30 C29 1.400(2) . ?
C30 C47 1.525(3) . ?
C80 C81 1.393(3) . ?
C80 C87 1.404(3) . ?
C80 B1 1.650(3) . ?
O1A C18 1.567(15) . ?
O1A C19 1.232(6) . ?
C8 H8 0.9300 . ?
C8 C9 1.383(3) . ?
C24 C23 1.387(3) . ?
C24 C19 1.386(3) . ?
C6 C5 1.408(2) . ?
C6 C1 1.400(3) . ?
C64 C71 1.392(3) . ?
C64 C65 1.401(3) . ?
C64 B1 1.640(3) . ?
F9 C86 1.295(5) . ?
C42 H42 0.9800 . ?
C42 C41 1.537(2) . ?
C42 C43 1.546(3) . ?
F7 C86 1.248(4) . ?
C39 H39 0.9800 . ?
C39 C40 1.535(3) . ?
C39 C43 1.543(3) . ?
C72 C73 1.400(3) . ?
C72 C79 1.402(3) . ?
C72 B1 1.643(3) . ?
C57 H57 0.9300 . ?
C57 C58 1.390(3) . ?
C57 C56 1.400(3) . ?
C12 C50 1.528(2) . ?
C12 C11 1.395(3) . ?
C29 H29 0.9300 . ?
C29 C28 1.382(3) . ?
C73 H73 0.9300 . ?
C73 C74 1.394(3) . ?
C9 H9 0.9300 . ?
C9 C10 1.378(3) . ?
C79 H79 0.9300 . ?
C79 C77 1.391(3) . ?
C69 C71 1.396(3) . ?
C69 C68 1.385(3) . ?
C69 C70 1.486(3) . ?
F11 C75 1.303(3) . ?
C76 H76 0.9300 . ?
C76 C74 1.385(3) . ?
C76 C77 1.384(3) . ?
C50 H50 0.9800 . ?
C50 C51 1.536(3) . ?
C50 C52 1.538(3) . ?
C71 H71 0.9300 . ?
C31 C36 1.407(3) . ?
C31 C32 1.400(3) . ?
C58 C60 1.387(3) . ?
C58 C59 1.498(3) . ?
C56 C63 1.404(3) . ?
C56 B1 1.648(3) . ?
C23 H23 0.9300 . ?
C23 C22 1.393(3) . ?
C10 H10 0.9300 . ?
C10 C11 1.383(3) . ?
C41 H41 0.9800 . ?
C41 C40 1.385(3) . ?
C74 C75 1.498(3) . ?
C13 C14 1.398(3) . ?
C13 C18 1.378(3) . ?
C40 H40 0.9800 . ?
C28 H28 0.9300 . ?
C28 C27 1.371(3) . ?
F8 C86 1.420(4) . ?
C81 H81 0.9300 . ?
C81 C82 1.391(3) . ?
C77 C78 1.498(3) . ?
C5 C53 1.514(3) . ?
C5 C4 1.403(3) . ?
C43 H43A 0.9700 . ?
C43 H43B 0.9700 . ?
C1 H1 0.9300 . ?
C1 C2 1.379(3) . ?
C60 H60 0.9300 . ?
C60 C61 1.383(3) . ?
C87 H87 0.9300 . ?
C87 C85 1.392(3) . ?
C36 C35 1.396(3) . ?
C36 C44 1.520(3) . ?
C34 H34 0.9300 . ?
C34 C35 1.384(3) . ?
C34 C33 1.380(3) . ?
C11 H11 0.9300 . ?
C35 H35 0.9300 . ?
C61 C63 1.390(3) . ?
C61 C62 1.497(3) . ?
F3 C62 1.262(5) . ?
C53 H53 0.9800 . ?
C53 C55 1.530(3) . ?
C53 C54 1.536(3) . ?
C63 H63 0.9300 . ?
C27 H27 0.9300 . ?
F10 C75 1.339(3) . ?
C49 H49A 0.9600 . ?
C49 H49B 0.9600 . ?
C49 H49C 0.9600 . ?
C49 C47 1.534(3) . ?
C47 H47 0.9800 . ?
C47 C48 1.535(3) . ?
C75 F12A 1.287(8) . ?
C75 F10A 1.324(9) . ?
C75 F11A 1.182(8) . ?
C44 H44 0.9800 . ?
C44 C46 1.536(3) . ?
C44 C45 1.533(3) . ?
C51 H51A 0.9600 . ?
C51 H51B 0.9600 . ?
C51 H51C 0.9600 . ?
C22 H22 0.9300 . ?
C22 C21 1.378(4) . ?
C2 H2 0.9300 . ?
C2 C3 1.379(3) . ?
C68 H68 0.9300 . ?
C68 C66 1.384(4) . ?
C32 H32 0.9300 . ?
C32 C33 1.384(3) . ?
C84 H84 0.9300 . ?
C84 C85 1.380(3) . ?
C84 C82 1.388(3) . ?
C33 H33 0.9300 . ?
C65 H65 0.9300 . ?
C65 C66 1.389(3) . ?
C85 C86 1.497(3) . ?
C14 H14 0.9300 . ?
C14 C15 1.389(3) . ?
C46 H46A 0.9600 . ?
C46 H46B 0.9600 . ?
C46 H46C 0.9600 . ?
C83 C82 1.490(3) . ?
C18 C17 1.394(3) . ?
C18 O1 1.315(4) . ?
C17 H17 0.9300 . ?
C17 C16 1.385(4) . ?
C62 F2 1.352(5) . ?
C62 F1 1.317(4) . ?
C62 F3A 1.361(6) . ?
C62 F1A 1.220(5) . ?
C62 F2A 1.261(7) . ?
C52 H52A 0.9600 . ?
C52 H52B 0.9600 . ?
C52 H52C 0.9600 . ?
C19 C20 1.390(3) . ?
C19 O1 1.459(8) . ?
C66 C67 1.509(3) . ?
C16 H16 0.9300 . ?
C16 C15 1.366(4) . ?
C48 H48A 0.9600 . ?
C48 H48B 0.9600 . ?
C48 H48C 0.9600 . ?
C20 H20 0.9300 . ?
C20 C21 1.382(4) . ?
C3 H3 0.9300 . ?
C3 C4 1.380(3) . ?
C4 H4 0.9300 . ?
C55 H55A 0.9600 . ?
C55 H55B 0.9600 . ?
C55 H55C 0.9600 . ?
C21 H21 0.9300 . ?
C15 H15 0.9300 . ?
C54 H54A 0.9600 . ?
C54 H54B 0.9600 . ?
C54 H54C 0.9600 . ?
C45 H45A 0.9600 . ?
C45 H45B 0.9600 . ?
C45 H45C 0.9600 . ?
C86 F9A 1.699(8) . ?
C86 F8A 1.131(9) . ?
C86 F7A 1.308(11) . ?
C67 F5A 1.323(9) . ?
C67 F6A 1.402(6) . ?
C67 F4A 1.183(8) . ?
C67 F4 1.311(6) . ?
C67 F5 1.427(8) . ?
C67 F6 1.262(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
P2 Rh1 P1 103.906(14) . . ?
C37 Rh1 P2 158.27(5) . . ?
C37 Rh1 P1 91.05(5) . . ?
C37 Rh1 C38 36.93(7) . . ?
C37 Rh1 C40 77.29(7) . . ?
C38 Rh1 P2 152.23(5) . . ?
C38 Rh1 P1 94.57(5) . . ?
C38 Rh1 C40 65.26(7) . . ?
C41 Rh1 P2 95.04(5) . . ?
C41 Rh1 P1 150.14(5) . . ?
C41 Rh1 C37 65.34(7) . . ?
C41 Rh1 C38 77.68(7) . . ?
C41 Rh1 C40 37.04(8) . . ?
C40 Rh1 P2 92.71(5) . . ?
C40 Rh1 P1 158.48(5) . . ?
C25 P2 Rh1 107.77(6) . . ?
C25 P2 C24 105.03(8) . . ?
C25 P2 C31 107.90(8) . . ?
C24 P2 Rh1 125.83(6) . . ?
C31 P2 Rh1 106.46(6) . . ?
C31 P2 C24 102.81(8) . . ?
C7 P1 Rh1 110.54(5) . . ?
C7 P1 C6 108.87(8) . . ?
C6 P1 Rh1 103.89(6) . . ?
C13 P1 Rh1 128.25(6) . . ?
C13 P1 C7 101.42(8) . . ?
C13 P1 C6 102.75(8) . . ?
Rh1 C37 H37 122.8 . . ?
C38 C37 Rh1 71.73(10) . . ?
C38 C37 H37 122.8 . . ?
C38 C37 C42 106.76(15) . . ?
C42 C37 Rh1 97.33(10) . . ?
C42 C37 H37 122.8 . . ?
C26 C25 P2 116.20(14) . . ?
C26 C25 C30 119.46(16) . . ?
C30 C25 P2 123.03(13) . . ?
Rh1 C38 H38 122.9 . . ?
C37 C38 Rh1 71.34(10) . . ?
C37 C38 H38 122.9 . . ?
C37 C38 C39 106.38(15) . . ?
C39 C38 Rh1 97.24(11) . . ?
C39 C38 H38 122.9 . . ?
C25 C26 H26 119.4 . . ?
C27 C26 C25 121.26(19) . . ?
C27 C26 H26 119.4 . . ?
C8 C7 P1 117.67(13) . . ?
C8 C7 C12 119.21(16) . . ?
C12 C7 P1 123.03(13) . . ?
C25 C30 C47 124.94(16) . . ?
C29 C30 C25 117.41(17) . . ?
C29 C30 C47 117.59(17) . . ?
C81 C80 C87 115.31(18) . . ?
C81 C80 B1 122.46(17) . . ?
C87 C80 B1 121.95(18) . . ?
C19 O1A C18 121.7(12) . . ?
C7 C8 H8 119.3 . . ?
C9 C8 C7 121.31(18) . . ?
C9 C8 H8 119.3 . . ?
C23 C24 P2 126.03(15) . . ?
C19 C24 P2 115.44(15) . . ?
C19 C24 C23 118.50(18) . . ?
C5 C6 P1 127.73(14) . . ?
C1 C6 P1 113.38(13) . . ?
C1 C6 C5 118.60(17) . . ?
C71 C64 C65 115.46(18) . . ?
C71 C64 B1 122.14(16) . . ?
C65 C64 B1 122.02(19) . . ?
C37 C42 H42 117.4 . . ?
C37 C42 C41 99.97(13) . . ?
C37 C42 C43 100.84(15) . . ?
C41 C42 H42 117.4 . . ?
C41 C42 C43 100.80(15) . . ?
C43 C42 H42 117.4 . . ?
C38 C39 H39 117.5 . . ?
C38 C39 C43 100.93(14) . . ?
C40 C39 C38 100.10(14) . . ?
C40 C39 H39 117.5 . . ?
C40 C39 C43 100.25(16) . . ?
C43 C39 H39 117.5 . . ?
C73 C72 C79 115.23(16) . . ?
C73 C72 B1 124.93(16) . . ?
C79 C72 B1 119.68(17) . . ?
C58 C57 H57 118.8 . . ?
C58 C57 C56 122.33(18) . . ?
C56 C57 H57 118.8 . . ?
C7 C12 C50 124.71(16) . . ?
C11 C12 C7 117.56(16) . . ?
C11 C12 C50 117.72(16) . . ?
C30 C29 H29 118.8 . . ?
C28 C29 C30 122.31(19) . . ?
C28 C29 H29 118.8 . . ?
C72 C73 H73 118.8 . . ?
C74 C73 C72 122.41(17) . . ?
C74 C73 H73 118.8 . . ?
C8 C9 H9 120.1 . . ?
C10 C9 C8 119.83(18) . . ?
C10 C9 H9 120.1 . . ?
C72 C79 H79 118.7 . . ?
C77 C79 C72 122.65(18) . . ?
C77 C79 H79 118.7 . . ?
C71 C69 C70 118.81(18) . . ?
C68 C69 C71 120.5(2) . . ?
C68 C69 C70 120.74(19) . . ?
C74 C76 H76 120.9 . . ?
C77 C76 H76 120.9 . . ?
C77 C76 C74 118.20(17) . . ?
C12 C50 H50 108.1 . . ?
C12 C50 C51 112.52(16) . . ?
C12 C50 C52 111.34(16) . . ?
C51 C50 H50 108.1 . . ?
C51 C50 C52 108.47(17) . . ?
C52 C50 H50 108.1 . . ?
C64 C71 C69 122.79(18) . . ?
C64 C71 H71 118.6 . . ?
C69 C71 H71 118.6 . . ?
C36 C31 P2 125.97(14) . . ?
C32 C31 P2 114.48(14) . . ?
C32 C31 C36 119.24(17) . . ?
C57 C58 C59 120.38(18) . . ?
C60 C58 C57 121.06(18) . . ?
C60 C58 C59 118.56(18) . . ?
C57 C56 C63 115.22(18) . . ?
C57 C56 B1 125.44(16) . . ?
C63 C56 B1 119.33(16) . . ?
C24 C23 H23 119.9 . . ?
C24 C23 C22 120.2(2) . . ?
C22 C23 H23 119.9 . . ?
C9 C10 H10 120.3 . . ?
C9 C10 C11 119.33(18) . . ?
C11 C10 H10 120.3 . . ?
Rh1 C41 H41 123.0 . . ?
C42 C41 Rh1 97.21(11) . . ?
C42 C41 H41 123.0 . . ?
C40 C41 Rh1 71.73(10) . . ?
C40 C41 C42 105.97(16) . . ?
C40 C41 H41 123.0 . . ?
C73 C74 C75 120.64(17) . . ?
C76 C74 C73 120.77(18) . . ?
C76 C74 C75 118.59(17) . . ?
C14 C13 P1 124.35(15) . . ?
C18 C13 P1 118.16(15) . . ?
C18 C13 C14 117.46(18) . . ?
Rh1 C40 H40 122.8 . . ?
C39 C40 Rh1 97.23(11) . . ?
C39 C40 H40 122.8 . . ?
C41 C40 Rh1 71.24(10) . . ?
C41 C40 C39 106.99(16) . . ?
C41 C40 H40 122.8 . . ?
C29 C28 H28 120.0 . . ?
C27 C28 C29 119.99(17) . . ?
C27 C28 H28 120.0 . . ?
C80 C81 H81 118.4 . . ?
C82 C81 C80 123.17(19) . . ?
C82 C81 H81 118.4 . . ?
C79 C77 C78 118.48(18) . . ?
C76 C77 C79 120.63(17) . . ?
C76 C77 C78 120.89(17) . . ?
C6 C5 C53 125.08(17) . . ?
C4 C5 C6 117.52(18) . . ?
C4 C5 C53 117.40(18) . . ?
C42 C43 H43A 113.0 . . ?
C42 C43 H43B 113.0 . . ?
C39 C43 C42 93.85(14) . . ?
C39 C43 H43A 113.0 . . ?
C39 C43 H43B 113.0 . . ?
H43A C43 H43B 110.4 . . ?
C6 C1 H1 118.7 . . ?
C2 C1 C6 122.60(19) . . ?
C2 C1 H1 118.7 . . ?
C58 C60 H60 121.0 . . ?
C61 C60 C58 117.97(18) . . ?
C61 C60 H60 121.0 . . ?
C80 C87 H87 119.0 . . ?
C85 C87 C80 122.0(2) . . ?
C85 C87 H87 119.0 . . ?
C31 C36 C44 123.79(17) . . ?
C35 C36 C31 117.73(18) . . ?
C35 C36 C44 118.48(17) . . ?
C35 C34 H34 120.2 . . ?
C33 C34 H34 120.2 . . ?
C33 C34 C35 119.69(19) . . ?
C12 C11 H11 118.7 . . ?
C10 C11 C12 122.64(18) . . ?
C10 C11 H11 118.7 . . ?
C36 C35 H35 118.8 . . ?
C34 C35 C36 122.37(19) . . ?
C34 C35 H35 118.8 . . ?
C60 C61 C63 120.69(18) . . ?
C60 C61 C62 119.35(19) . . ?
C63 C61 C62 119.94(19) . . ?
C5 C53 H53 107.8 . . ?
C5 C53 C55 110.4(2) . . ?
C5 C53 C54 111.87(19) . . ?
C55 C53 H53 107.8 . . ?
C55 C53 C54 110.8(2) . . ?
C54 C53 H53 107.8 . . ?
C56 C63 H63 118.7 . . ?
C61 C63 C56 122.68(18) . . ?
C61 C63 H63 118.7 . . ?
C26 C27 H27 120.2 . . ?
C28 C27 C26 119.53(18) . . ?
C28 C27 H27 120.2 . . ?
H49A C49 H49B 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C47 C49 H49A 109.5 . . ?
C47 C49 H49B 109.5 . . ?
C47 C49 H49C 109.5 . . ?
C30 C47 C49 112.12(16) . . ?
C30 C47 H47 108.1 . . ?
C30 C47 C48 111.64(16) . . ?
C49 C47 H47 108.1 . . ?
C49 C47 C48 108.57(17) . . ?
C48 C47 H47 108.1 . . ?
F12 C75 C74 112.87(19) . . ?
F12 C75 F10 104.2(3) . . ?
F11 C75 F12 106.5(2) . . ?
F11 C75 C74 113.35(19) . . ?
F11 C75 F10 105.7(3) . . ?
F10 C75 C74 113.40(19) . . ?
F12A C75 C74 110.5(4) . . ?
F12A C75 F10A 101.8(10) . . ?
F10A C75 C74 110.5(5) . . ?
F11A C75 C74 115.0(5) . . ?
F11A C75 F12A 108.0(9) . . ?
F11A C75 F10A 110.1(11) . . ?
C36 C44 H44 107.6 . . ?
C36 C44 C46 111.86(16) . . ?
C36 C44 C45 111.35(18) . . ?
C46 C44 H44 107.6 . . ?
C45 C44 H44 107.6 . . ?
C45 C44 C46 110.73(18) . . ?
C50 C51 H51A 109.5 . . ?
C50 C51 H51B 109.5 . . ?
C50 C51 H51C 109.5 . . ?
H51A C51 H51B 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C23 C22 H22 120.0 . . ?
C21 C22 C23 120.0(2) . . ?
C21 C22 H22 120.0 . . ?
C1 C2 H2 120.5 . . ?
C3 C2 C1 119.0(2) . . ?
C3 C2 H2 120.5 . . ?
C69 C68 H68 121.1 . . ?
C66 C68 C69 117.8(2) . . ?
C66 C68 H68 121.1 . . ?
C31 C32 H32 119.2 . . ?
C33 C32 C31 121.70(19) . . ?
C33 C32 H32 119.2 . . ?
F23 C59 C58 113.20(18) . . ?
F22 C59 F23 104.76(19) . . ?
F22 C59 C58 111.97(18) . . ?
F24 C59 F23 105.59(19) . . ?
F24 C59 F22 107.8(2) . . ?
F24 C59 C58 112.91(18) . . ?
C85 C84 H84 121.0 . . ?
C85 C84 C82 118.1(2) . . ?
C82 C84 H84 121.0 . . ?
C34 C33 C32 119.2(2) . . ?
C34 C33 H33 120.4 . . ?
C32 C33 H33 120.4 . . ?
C64 C65 H65 119.0 . . ?
C66 C65 C64 122.0(2) . . ?
C66 C65 H65 119.0 . . ?
C87 C85 C86 120.9(2) . . ?
C84 C85 C87 121.2(2) . . ?
C84 C85 C86 117.8(2) . . ?
C13 C14 H14 119.6 . . ?
C15 C14 C13 120.8(2) . . ?
C15 C14 H14 119.6 . . ?
C44 C46 H46A 109.5 . . ?
C44 C46 H46B 109.5 . . ?
C44 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
F18 C83 F17 106.3(2) . . ?
F18 C83 F16 105.7(2) . . ?
F18 C83 C82 111.96(18) . . ?
F17 C83 C82 113.7(2) . . ?
F16 C83 F17 106.6(2) . . ?
F16 C83 C82 112.1(2) . . ?
C13 C18 O1A 105.2(4) . . ?
C13 C18 C17 122.7(2) . . ?
C17 C18 O1A 130.0(3) . . ?
O1 C18 C13 115.1(3) . . ?
O1 C18 C17 120.3(4) . . ?
C18 C17 H17 121.1 . . ?
C16 C17 C18 117.8(2) . . ?
C16 C17 H17 121.1 . . ?
C81 C82 C83 119.2(2) . . ?
C84 C82 C81 120.2(2) . . ?
C84 C82 C83 120.6(2) . . ?
F3 C62 C61 117.2(3) . . ?
F3 C62 F2 105.3(4) . . ?
F3 C62 F1 107.2(4) . . ?
F2 C62 C61 112.3(3) . . ?
F1 C62 C61 110.9(2) . . ?
F1 C62 F2 102.8(4) . . ?
F3A C62 C61 110.6(3) . . ?
F1A C62 C61 116.7(3) . . ?
F1A C62 F3A 105.9(6) . . ?
F1A C62 F2A 111.7(6) . . ?
F2A C62 C61 109.8(4) . . ?
F2A C62 F3A 101.1(6) . . ?
F14 C70 F15 105.34(18) . . ?
F14 C70 C69 112.32(18) . . ?
F15 C70 C69 113.66(19) . . ?
F13 C70 F14 105.6(2) . . ?
F13 C70 F15 106.6(2) . . ?
F13 C70 C69 112.68(18) . . ?
F19 C78 C77 112.67(19) . . ?
F20 C78 F19 105.80(17) . . ?
F20 C78 C77 112.14(18) . . ?
F21 C78 F19 106.78(18) . . ?
F21 C78 F20 106.6(2) . . ?
F21 C78 C77 112.39(17) . . ?
C50 C52 H52A 109.5 . . ?
C50 C52 H52B 109.5 . . ?
C50 C52 H52C 109.5 . . ?
H52A C52 H52B 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
O1A C19 C24 114.3(4) . . ?
O1A C19 C20 117.6(9) . . ?
C24 C19 C20 122.1(2) . . ?
C24 C19 O1 110.0(2) . . ?
C20 C19 O1 127.5(2) . . ?
C68 C66 C65 121.4(2) . . ?
C68 C66 C67 119.7(2) . . ?
C65 C66 C67 119.0(2) . . ?
C64 B1 C80 112.61(15) . . ?
C64 B1 C72 113.28(16) . . ?
C64 B1 C56 104.50(15) . . ?
C72 B1 C80 103.94(14) . . ?
C72 B1 C56 112.70(15) . . ?
C56 B1 C80 109.98(16) . . ?
C17 C16 H16 119.4 . . ?
C15 C16 C17 121.2(2) . . ?
C15 C16 H16 119.4 . . ?
C47 C48 H48A 109.5 . . ?
C47 C48 H48B 109.5 . . ?
C47 C48 H48C 109.5 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C19 C20 H20 120.9 . . ?
C21 C20 C19 118.2(2) . . ?
C21 C20 H20 120.9 . . ?
C2 C3 H3 120.3 . . ?
C2 C3 C4 119.4(2) . . ?
C4 C3 H3 120.3 . . ?
C5 C4 H4 118.6 . . ?
C3 C4 C5 122.8(2) . . ?
C3 C4 H4 118.6 . . ?
C53 C55 H55A 109.5 . . ?
C53 C55 H55B 109.5 . . ?
C53 C55 H55C 109.5 . . ?
H55A C55 H55B 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C22 C21 C20 121.0(2) . . ?
C22 C21 H21 119.5 . . ?
C20 C21 H21 119.5 . . ?
C14 C15 H15 120.0 . . ?
C16 C15 C14 120.0(2) . . ?
C16 C15 H15 120.0 . . ?
C53 C54 H54A 109.5 . . ?
C53 C54 H54B 109.5 . . ?
C53 C54 H54C 109.5 . . ?
H54A C54 H54B 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
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 . . ?
F9 C86 F8 101.1(3) . . ?
F9 C86 C85 113.0(3) . . ?
F7 C86 F9 114.0(4) . . ?
F7 C86 F8 104.1(3) . . ?
F7 C86 C85 113.8(3) . . ?
F8 C86 C85 109.6(3) . . ?
C85 C86 F9A 105.0(3) . . ?
F8A C86 C85 124.8(6) . . ?
F8A C86 F9A 91.8(8) . . ?
F8A C86 F7A 118.1(9) . . ?
F7A C86 C85 115.6(7) . . ?
F7A C86 F9A 84.2(6) . . ?
F5A C67 C66 111.6(4) . . ?
F5A C67 F6A 97.6(5) . . ?
F6A C67 C66 109.0(3) . . ?
F4A C67 C66 115.9(5) . . ?
F4A C67 F5A 112.4(7) . . ?
F4A C67 F6A 108.7(5) . . ?
F4 C67 C66 114.6(4) . . ?
F4 C67 F5 97.8(6) . . ?
F5 C67 C66 107.8(4) . . ?
F6 C67 C66 117.2(7) . . ?
F6 C67 F4 115.0(6) . . ?
F6 C67 F5 101.0(7) . . ?
C18 O1 C19 124.0(4) . . ?

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
Rh1 P2 C25 C26 94.46(13) . . . . ?
Rh1 P2 C25 C30 -72.42(14) . . . . ?
Rh1 P2 C24 C23 129.89(15) . . . . ?
Rh1 P2 C24 C19 -51.57(18) . . . . ?
Rh1 P2 C31 C36 -178.58(14) . . . . ?
Rh1 P2 C31 C32 7.88(15) . . . . ?
Rh1 P1 C7 C8 98.50(13) . . . . ?
Rh1 P1 C7 C12 -77.81(14) . . . . ?
Rh1 P1 C6 C5 -175.73(17) . . . . ?
Rh1 P1 C6 C1 10.65(15) . . . . ?
Rh1 P1 C13 C14 139.62(14) . . . . ?
Rh1 P1 C13 C18 -42.24(19) . . . . ?
Rh1 C37 C38 C39 -92.26(12) . . . . ?
Rh1 C37 C42 C41 3.38(15) . . . . ?
Rh1 C37 C42 C43 106.52(12) . . . . ?
Rh1 C38 C39 C40 -3.66(14) . . . . ?
Rh1 C38 C39 C43 -106.28(13) . . . . ?
Rh1 C41 C40 C39 92.01(12) . . . . ?
P2 C25 C26 C27 -166.61(14) . . . . ?
P2 C25 C30 C29 166.59(13) . . . . ?
P2 C25 C30 C47 -10.3(2) . . . . ?
P2 C24 C23 C22 -179.96(17) . . . . ?
P2 C24 C19 O1A 26.8(16) . . . . ?
P2 C24 C19 C20 178.69(19) . . . . ?
P2 C24 C19 O1 -8.4(5) . . . . ?
P2 C31 C36 C35 -170.70(14) . . . . ?
P2 C31 C36 C44 9.2(3) . . . . ?
P2 C31 C32 C33 172.35(17) . . . . ?
P1 C7 C8 C9 179.88(14) . . . . ?
P1 C7 C12 C50 1.0(2) . . . . ?
P1 C7 C12 C11 -179.79(13) . . . . ?
P1 C6 C5 C53 6.2(3) . . . . ?
P1 C6 C5 C4 -173.01(17) . . . . ?
P1 C6 C1 C2 173.65(18) . . . . ?
P1 C13 C14 C15 177.18(17) . . . . ?
P1 C13 C18 O1A -14.1(10) . . . . ?
P1 C13 C18 C17 -179.35(19) . . . . ?
P1 C13 C18 O1 16.6(6) . . . . ?
F18 C83 C82 C81 64.2(3) . . . . ?
F18 C83 C82 C84 -114.7(2) . . . . ?
F17 C83 C82 C81 -175.34(19) . . . . ?
F17 C83 C82 C84 5.8(3) . . . . ?
F16 C83 C82 C81 -54.4(3) . . . . ?
F16 C83 C82 C84 126.7(2) . . . . ?
C37 C38 C39 C40 68.96(17) . . . . ?
C37 C38 C39 C43 -33.67(18) . . . . ?
C37 C42 C41 Rh1 -3.38(15) . . . . ?
C37 C42 C41 C40 69.61(17) . . . . ?
C37 C42 C43 C39 -50.83(15) . . . . ?
C25 P2 C24 C23 4.19(19) . . . . ?
C25 P2 C24 C19 -177.28(15) . . . . ?
C25 P2 C31 C36 -63.13(17) . . . . ?
C25 P2 C31 C32 123.33(14) . . . . ?
C25 C26 C27 C28 0.1(3) . . . . ?
C25 C30 C29 C28 -1.9(3) . . . . ?
C25 C30 C47 C49 114.00(19) . . . . ?
C25 C30 C47 C48 -123.92(19) . . . . ?
C38 C37 C42 C41 -69.68(17) . . . . ?
C38 C37 C42 C43 33.46(17) . . . . ?
C38 C39 C40 Rh1 3.66(14) . . . . ?
C38 C39 C40 C41 -68.87(17) . . . . ?
C38 C39 C43 C42 50.93(16) . . . . ?
C26 C25 C30 C29 0.1(2) . . . . ?
C26 C25 C30 C47 -176.77(16) . . . . ?
C7 P1 C6 C5 -57.92(19) . . . . ?
C7 P1 C6 C1 128.46(15) . . . . ?
C7 P1 C13 C14 11.66(18) . . . . ?
C7 P1 C13 C18 -170.20(16) . . . . ?
C7 C8 C9 C10 0.8(3) . . . . ?
C7 C12 C50 C51 -125.71(19) . . . . ?
C7 C12 C50 C52 112.3(2) . . . . ?
C7 C12 C11 C10 -1.5(3) . . . . ?
C30 C25 C26 C27 0.8(3) . . . . ?
C30 C29 C28 C27 2.8(3) . . . . ?
C80 C81 C82 C84 0.8(3) . . . . ?
C80 C81 C82 C83 -178.12(18) . . . . ?
C80 C87 C85 C84 0.0(3) . . . . ?
C80 C87 C85 C86 178.2(2) . . . . ?
O1A C18 C17 C16 -158.9(14) . . . . ?
O1A C19 C20 C21 152.8(14) . . . . ?
C8 C7 C12 C50 -175.29(16) . . . . ?
C8 C7 C12 C11 3.9(2) . . . . ?
C8 C9 C10 C11 1.8(3) . . . . ?
C24 P2 C25 C26 -129.27(14) . . . . ?
C24 P2 C25 C30 63.85(16) . . . . ?
C24 P2 C31 C36 47.53(17) . . . . ?
C24 P2 C31 C32 -126.01(15) . . . . ?
C24 C23 C22 C21 0.4(3) . . . . ?
C24 C19 C20 C21 1.8(4) . . . . ?
C24 C19 O1 C18 173.0(7) . . . . ?
C6 P1 C7 C8 -15.01(16) . . . . ?
C6 P1 C7 C12 168.68(14) . . . . ?
C6 P1 C13 C14 -100.93(17) . . . . ?
C6 P1 C13 C18 77.22(17) . . . . ?
C6 C5 C53 C55 -110.9(2) . . . . ?
C6 C5 C53 C54 125.1(2) . . . . ?
C6 C5 C4 C3 0.4(4) . . . . ?
C6 C1 C2 C3 0.1(4) . . . . ?
C64 C65 C66 C68 2.8(4) . . . . ?
C64 C65 C66 C67 -176.0(3) . . . . ?
C42 C37 C38 Rh1 92.34(12) . . . . ?
C42 C37 C38 C39 0.08(18) . . . . ?
C42 C41 C40 Rh1 -92.47(12) . . . . ?
C42 C41 C40 C39 -0.45(18) . . . . ?
C72 C73 C74 C76 0.9(3) . . . . ?
C72 C73 C74 C75 179.94(17) . . . . ?
C72 C79 C77 C76 -1.5(3) . . . . ?
C72 C79 C77 C78 179.26(18) . . . . ?
C57 C58 C60 C61 -0.8(3) . . . . ?
C57 C58 C59 F23 -24.2(3) . . . . ?
C57 C58 C59 F22 94.0(2) . . . . ?
C57 C58 C59 F24 -144.1(2) . . . . ?
C57 C56 C63 C61 -1.6(3) . . . . ?
C57 C56 B1 C80 129.63(18) . . . . ?
C57 C56 B1 C64 -109.3(2) . . . . ?
C57 C56 B1 C72 14.2(3) . . . . ?
C12 C7 C8 C9 -3.7(3) . . . . ?
C29 C30 C47 C49 -62.9(2) . . . . ?
C29 C30 C47 C48 59.2(2) . . . . ?
C29 C28 C27 C26 -1.8(3) . . . . ?
C73 C72 C79 C77 3.8(3) . . . . ?
C73 C72 B1 C80 100.9(2) . . . . ?
C73 C72 B1 C64 -21.7(3) . . . . ?
C73 C72 B1 C56 -140.09(18) . . . . ?
C73 C74 C75 F12 130.6(3) . . . . ?
C73 C74 C75 F11 -108.2(3) . . . . ?
C73 C74 C75 F10 12.3(3) . . . . ?
C73 C74 C75 F12A -46.8(8) . . . . ?
C73 C74 C75 F10A -158.8(12) . . . . ?
C73 C74 C75 F11A 75.8(11) . . . . ?
C9 C10 C11 C12 -1.4(3) . . . . ?
C79 C72 C73 C74 -3.4(3) . . . . ?
C79 C72 B1 C80 -74.2(2) . . . . ?
C79 C72 B1 C64 163.23(17) . . . . ?
C79 C72 B1 C56 44.8(2) . . . . ?
C79 C77 C78 F19 -166.02(18) . . . . ?
C79 C77 C78 F20 74.7(2) . . . . ?
C79 C77 C78 F21 -45.3(3) . . . . ?
C69 C68 C66 C65 -2.1(4) . . . . ?
C69 C68 C66 C67 176.6(3) . . . . ?
C76 C74 C75 F12 -50.4(3) . . . . ?
C76 C74 C75 F11 70.9(3) . . . . ?
C76 C74 C75 F10 -168.6(3) . . . . ?
C76 C74 C75 F12A 132.3(7) . . . . ?
C76 C74 C75 F10A 20.3(12) . . . . ?
C76 C74 C75 F11A -105.1(11) . . . . ?
C76 C77 C78 F19 14.8(3) . . . . ?
C76 C77 C78 F20 -104.5(2) . . . . ?
C76 C77 C78 F21 135.5(2) . . . . ?
C50 C12 C11 C10 177.77(17) . . . . ?
C71 C64 C65 C66 -0.3(3) . . . . ?
C71 C64 B1 C80 -153.79(18) . . . . ?
C71 C64 B1 C72 -36.2(3) . . . . ?
C71 C64 B1 C56 86.9(2) . . . . ?
C71 C69 C68 C66 -0.9(3) . . . . ?
C71 C69 C70 F14 -58.7(3) . . . . ?
C71 C69 C70 F15 -178.15(19) . . . . ?
C71 C69 C70 F13 60.5(3) . . . . ?
C31 P2 C25 C26 -20.13(16) . . . . ?
C31 P2 C25 C30 172.99(14) . . . . ?
C31 P2 C24 C23 -108.61(18) . . . . ?
C31 P2 C24 C19 69.93(17) . . . . ?
C31 C36 C35 C34 -1.5(3) . . . . ?
C31 C36 C44 C46 121.6(2) . . . . ?
C31 C36 C44 C45 -113.9(2) . . . . ?
C31 C32 C33 C34 -0.4(3) . . . . ?
C58 C57 C56 C63 2.4(3) . . . . ?
C58 C57 C56 B1 -178.92(17) . . . . ?
C58 C60 C61 C63 1.6(3) . . . . ?
C58 C60 C61 C62 -179.92(19) . . . . ?
C56 C57 C58 C60 -1.3(3) . . . . ?
C56 C57 C58 C59 178.91(18) . . . . ?
C23 C24 C19 O1A -154.5(16) . . . . ?
C23 C24 C19 C20 -2.7(3) . . . . ?
C23 C24 C19 O1 170.2(5) . . . . ?
C23 C22 C21 C20 -1.3(4) . . . . ?
C41 C42 C43 C39 51.64(16) . . . . ?
C74 C76 C77 C79 -1.3(3) . . . . ?
C74 C76 C77 C78 177.93(18) . . . . ?
C13 P1 C7 C8 -122.89(14) . . . . ?
C13 P1 C7 C12 60.80(15) . . . . ?
C13 P1 C6 C5 49.05(19) . . . . ?
C13 P1 C6 C1 -124.57(15) . . . . ?
C13 C14 C15 C16 1.6(4) . . . . ?
C13 C18 C17 C16 2.4(4) . . . . ?
C13 C18 O1 C19 -129.0(6) . . . . ?
C40 C39 C43 C42 -51.57(15) . . . . ?
C81 C80 C87 C85 1.0(3) . . . . ?
C81 C80 B1 C64 -138.63(18) . . . . ?
C81 C80 B1 C72 98.37(19) . . . . ?
C81 C80 B1 C56 -22.5(2) . . . . ?
C77 C76 C74 C73 1.6(3) . . . . ?
C77 C76 C74 C75 -177.50(17) . . . . ?
C5 C6 C1 C2 -0.6(3) . . . . ?
C43 C42 C41 Rh1 -106.55(12) . . . . ?
C43 C42 C41 C40 -33.56(17) . . . . ?
C43 C39 C40 Rh1 106.83(12) . . . . ?
C43 C39 C40 C41 34.30(17) . . . . ?
C1 C6 C5 C53 179.6(2) . . . . ?
C1 C6 C5 C4 0.3(3) . . . . ?
C1 C2 C3 C4 0.6(4) . . . . ?
C60 C58 C59 F23 156.03(18) . . . . ?
C60 C58 C59 F22 -85.8(2) . . . . ?
C60 C58 C59 F24 36.1(3) . . . . ?
C60 C61 C63 C56 -0.3(3) . . . . ?
C60 C61 C62 F3 -162.3(5) . . . . ?
C60 C61 C62 F2 -40.2(6) . . . . ?
C60 C61 C62 F1 74.2(5) . . . . ?
C60 C61 C62 F3A 130.1(7) . . . . ?
C60 C61 C62 F1A 9.1(8) . . . . ?
C60 C61 C62 F2A -119.2(8) . . . . ?
C87 C80 C81 C82 -1.4(3) . . . . ?
C87 C80 B1 C64 47.7(2) . . . . ?
C87 C80 B1 C72 -75.3(2) . . . . ?
C87 C80 B1 C56 163.76(17) . . . . ?
C87 C85 C86 F9 32.4(5) . . . . ?
C87 C85 C86 F7 -99.6(4) . . . . ?
C87 C85 C86 F8 144.3(2) . . . . ?
C87 C85 C86 F9A -41.1(4) . . . . ?
C87 C85 C86 F8A 62.1(11) . . . . ?
C87 C85 C86 F7A -131.8(7) . . . . ?
C36 C31 C32 C33 -1.7(3) . . . . ?
C11 C12 C50 C51 55.1(2) . . . . ?
C11 C12 C50 C52 -67.0(2) . . . . ?
C35 C36 C44 C46 -58.4(2) . . . . ?
C35 C36 C44 C45 66.1(2) . . . . ?
C35 C34 C33 C32 1.5(3) . . . . ?
C53 C5 C4 C3 -178.9(2) . . . . ?
C63 C56 B1 C80 -51.8(2) . . . . ?
C63 C56 B1 C64 69.3(2) . . . . ?
C63 C56 B1 C72 -167.25(17) . . . . ?
C63 C61 C62 F3 16.2(6) . . . . ?
C63 C61 C62 F2 138.4(6) . . . . ?
C63 C61 C62 F1 -107.3(5) . . . . ?
C63 C61 C62 F3A -51.4(7) . . . . ?
C63 C61 C62 F1A -172.4(7) . . . . ?
C63 C61 C62 F2A 59.3(9) . . . . ?
C47 C30 C29 C28 175.22(17) . . . . ?
C44 C36 C35 C34 178.54(18) . . . . ?
C2 C3 C4 C5 -0.9(4) . . . . ?
C68 C69 C71 C64 3.5(3) . . . . ?
C68 C69 C70 F14 121.8(2) . . . . ?
C68 C69 C70 F15 2.4(3) . . . . ?
C68 C69 C70 F13 -119.0(2) . . . . ?
C68 C66 C67 F5A 145.5(6) . . . . ?
C68 C66 C67 F6A 38.9(6) . . . . ?
C68 C66 C67 F4A -84.1(9) . . . . ?
C68 C66 C67 F4 -13.4(9) . . . . ?
C68 C66 C67 F5 -121.1(5) . . . . ?
C68 C66 C67 F6 125.9(8) . . . . ?
C32 C31 C36 C35 2.6(3) . . . . ?
C32 C31 C36 C44 -177.50(17) . . . . ?
C59 C58 C60 C61 179.00(18) . . . . ?
C84 C85 C86 F9 -149.4(4) . . . . ?
C84 C85 C86 F7 78.6(4) . . . . ?
C84 C85 C86 F8 -37.5(3) . . . . ?
C84 C85 C86 F9A 137.1(3) . . . . ?
C84 C85 C86 F8A -119.7(10) . . . . ?
C84 C85 C86 F7A 46.5(8) . . . . ?
C33 C34 C35 C36 -0.5(3) . . . . ?
C65 C64 C71 C69 -2.8(3) . . . . ?
C65 C64 B1 C80 33.6(3) . . . . ?
C65 C64 B1 C72 151.20(19) . . . . ?
C65 C64 B1 C56 -85.7(2) . . . . ?
C65 C66 C67 F5A -35.7(7) . . . . ?
C65 C66 C67 F6A -142.3(5) . . . . ?
C65 C66 C67 F4A 94.7(9) . . . . ?
C65 C66 C67 F4 165.4(8) . . . . ?
C65 C66 C67 F5 57.7(6) . . . . ?
C65 C66 C67 F6 -55.3(9) . . . . ?
C85 C84 C82 C81 0.3(3) . . . . ?
C85 C84 C82 C83 179.2(2) . . . . ?
C14 C13 C18 O1A 164.2(10) . . . . ?
C14 C13 C18 C17 -1.1(3) . . . . ?
C14 C13 C18 O1 -165.1(6) . . . . ?
C18 O1A C19 C24 -139.3(13) . . . . ?
C18 O1A C19 C20 68(3) . . . . ?
C18 C13 C14 C15 -1.0(3) . . . . ?
C18 C17 C16 C15 -1.7(4) . . . . ?
C17 C18 O1 C19 66.5(12) . . . . ?
C17 C16 C15 C14 -0.3(4) . . . . ?
C82 C84 C85 C87 -0.7(3) . . . . ?
C82 C84 C85 C86 -178.9(2) . . . . ?
C62 C61 C63 C56 -178.83(19) . . . . ?
C70 C69 C71 C64 -176.04(18) . . . . ?
C70 C69 C68 C66 178.6(2) . . . . ?
C19 O1A C18 C13 179.4(18) . . . . ?
C19 O1A C18 C17 -17(3) . . . . ?
C19 C24 C23 C22 1.5(3) . . . . ?
C19 C20 C21 C22 0.2(4) . . . . ?
B1 C80 C81 C82 -175.52(17) . . . . ?
B1 C80 C87 C85 175.15(18) . . . . ?
B1 C64 C71 C69 -175.82(18) . . . . ?
B1 C64 C65 C66 172.7(2) . . . . ?
B1 C72 C73 C74 -178.72(17) . . . . ?
B1 C72 C79 C77 179.32(17) . . . . ?
B1 C56 C63 C61 179.63(17) . . . . ?
C20 C19 O1 C18 -14.6(13) . . . . ?
C4 C5 C53 C55 68.3(3) . . . . ?
C4 C5 C53 C54 -55.6(3) . . . . ?
O1 C18 C17 C16 165.7(6) . . . . ?
O1 C19 C20 C21 -169.8(6) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.000 0.000 233.6 41.6 ?
2 0.000 0.500 0.500 233.6 41.6 ?
3 0.435 0.094 0.063 7.3 0.0 ?
4 0.435 0.406 0.563 7.3 0.0 ?
5 0.565 0.594 0.437 7.3 0.0 ?
6 0.565 0.906 0.938 7.3 0.0 ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.213
_oxdiff_exptl_absorpt_empirical_full_min 0.900

loop_
_publcif_info_exptl_table_extra_item
sin_theta_over_lambda_max

loop_
_publcif_info_exptl_table_header_item
?



_publcif_funding_html            
;
;
####################################################################### 
# 
# 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_5-iPr
_database_code_depnum_ccdc_archive 'CCDC 2064129'
loop_
_audit_author_name
_audit_author_address
'Timothy M. Boyd'
;University of Oxford
United Kingdom
;

_audit_update_record             
;
2021-02-21 deposited with the CCDC.	2021-05-25 downloaded from the CCDC.
;
_publcif_datablock.id            {1b87c513-d086-4df6-86e6-fb9a08e71f76}
_audit_creation_date             2020-09-21
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C49 H52 O2 P2 Rh, C32 H12 B F24'
_chemical_formula_sum            'C81 H64 B F24 O2 P2 Rh'
_chemical_formula_weight         1700.98
_chemical_melting_point          ?
_chemical_oxdiff_formula         'Rh1 P2 O1 N1 C30 H30'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_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           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   20.5769(2)
_cell_length_b                   16.50650(10)
_cell_length_c                   24.0640(2)
_cell_angle_alpha                90
_cell_angle_beta                 110.1080(10)
_cell_angle_gamma                90
_cell_volume                     7675.20(12)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    33538
_cell_measurement_temperature    150.0(3)
_cell_measurement_theta_max      76.0930
_cell_measurement_theta_min      3.4860
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    3.126
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.89222
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.472
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3448
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0430
_diffrn_reflns_av_unetI/netI     0.0278
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            93147
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.221
_diffrn_reflns_theta_min         3.483
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.0(3)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.4102
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -41.00  -6.00   1.00    8.01    --  -42.66  38.00-120.00   35
  2  ω   -128.00 -34.00   1.00    8.01    --  -42.66 178.00   0.00   94
  3  ω   -113.00 -21.00   1.00    8.01    --  -42.66 -38.00 -90.00   92
  4  ω     58.00 139.00   1.00   32.04    --  111.00 -61.00 -60.00   81
  5  ω    141.00 167.00   1.00   32.04    --  111.00  30.00-180.00   26
  6  ω     57.00  88.00   1.00   32.04    --  111.00 -30.00   0.00   31
  7  ω     95.00 130.00   1.00   32.04    --  111.00  30.00-180.00   35
  8  ω     65.00 107.00   1.00   32.04    --  111.00 -95.00 -90.00   42
  9  ω     88.00 177.00   1.00   32.04    --  111.00  45.00  30.00   89
 10  ω     38.00  64.00   1.00   32.04    --  111.00 -30.00 -90.00   26
 11  ω     89.00 176.00   1.00   32.04    --  111.00  30.00 150.00   87
 12  ω    140.00 173.00   1.00   32.04    --  111.00 125.00 150.00   33
 13  ω     32.00  62.00   1.00   32.04    --  111.00 -95.00 -90.00   30
 14  ω     39.00  95.00   1.00   32.04    --  111.00-125.00 -30.00   56
 15  ω    115.00 140.00   1.00   32.04    --  111.00  89.00  47.00   25
 16  ω     41.00  71.00   1.00   32.04    --  111.00-125.00  30.00   30
 17  ω     91.00 117.00   1.00   32.04    --  111.00-125.00  30.00   26
 18  ω    125.00 162.00   1.00   32.04    --  111.00 125.00-150.00   37
 19  ω     48.00  90.00   1.00   32.04    --  111.00 -45.00  90.00   42
 20  ω    132.00 165.00   1.00   32.04    --  111.00 125.00   0.00   33
 21  ω   -107.00 -21.00   1.00    8.01    --  -42.66 -38.00   0.00   86
 22  ω    -19.00  16.00   1.00    8.01    --  -42.66  38.00-180.00   35
 23  ω     64.00 124.00   1.00    8.01    --   42.66 178.00   0.00   60
 24  ω     17.00  43.00   1.00    8.01    --   42.66  77.00  30.00   26
 25  ω     91.00 116.00   1.00    8.01    --   42.66  77.00  30.00   25
 26  ω     42.00 118.00   1.00   32.04    --  111.00-125.00-120.00   76
 27  ω     93.00 118.00   1.00   32.04    --  111.00-125.00 -30.00   25
 28  ω     73.00 118.00   1.00   32.04    --  111.00-125.00-180.00   45
 29  ω    125.00 171.00   1.00   32.04    --  111.00  45.00-150.00   46
 30  ω     45.00  73.00   1.00   32.04    --  111.00 -45.00  60.00   28
 31  ω     71.00 116.00   1.00   32.04    --  111.00-125.00 120.00   45
 32  ω     52.00  91.00   1.00   32.04    --  111.00 -30.00 120.00   39
 33  ω     68.00  98.00   1.00   32.04    --  111.00 -45.00-120.00   30
 34  ω     47.00  73.00   1.00   32.04    --  111.00-125.00  90.00   26
 35  ω     45.00  71.00   1.00   32.04    --  111.00-125.00 -60.00   26
 36  ω     87.00 113.00   1.00   32.04    --  111.00-125.00  90.00   26
 37  ω    107.00 136.00   1.00   32.04    --  111.00 -61.00  60.00   29
 38  ω     40.00  66.00   1.00   32.04    --  111.00 -77.00 -90.00   26
 39  ω     76.00 102.00   1.00   32.04    --  111.00 -77.00 -90.00   26
 40  ω     85.00 111.00   1.00   32.04    --  111.00  15.00   0.00   26
 41  ω    130.00 156.00   1.00   32.04    --  111.00  15.00   0.00   26
 42  ω     42.00 112.00   1.00   32.04    --  111.00-125.00 -90.00   70
 43  ω    120.00 174.00   1.00   32.04    --  111.00  45.00  90.00   54
 44  ω     65.00 109.00   1.00   32.04    --  111.00 -77.00  90.00   44
 45  ω    102.00 128.00   1.00   32.04    --  111.00-138.00  67.87   26
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0135497000
_diffrn_orient_matrix_UB_12      0.0832031000
_diffrn_orient_matrix_UB_13      0.0229428000
_diffrn_orient_matrix_UB_21      -0.0785499000
_diffrn_orient_matrix_UB_22      -0.0156126000
_diffrn_orient_matrix_UB_23      -0.0258522000
_diffrn_orient_matrix_UB_31      0.0025810000
_diffrn_orient_matrix_UB_32      -0.0392841000
_diffrn_orient_matrix_UB_33      0.0587576000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                13776
_reflns_number_total             15989
_reflns_odcompleteness_completeness 99.94
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     74.33
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.239
_refine_diff_density_min         -0.571
_refine_diff_density_rms         0.075
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1036
_refine_ls_number_reflns         15989
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0522
_refine_ls_R_factor_gt           0.0438
_refine_ls_restrained_S_all      1.030
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0746P)²+5.7282P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1162
_refine_ls_wR_factor_ref         0.1242
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Others
 Sof(F2A)=Sof(F3A)=Sof(F1A)=1-FVAR(1)
 Sof(F1)=Sof(F3)=Sof(F2)=FVAR(1)
3.a Ternary CH refined with riding coordinates:
 C41(H41), C44(H44), C38(H38), C47(H47)
3.b Aromatic/amide H refined with riding coordinates:
 C67(H67), C73(H73), C51(H51), C59(H59), C75(H75), C78(H78), C57(H57),
 C81(H81), C17(H17), C54(H54), C1(H1), C4(H4), C2(H2), C23(H23), C70(H70),
 C3(H3), C8(H8), C16(H16), C21(H21), C62(H62), C26(H26), C29(H29), C65(H65),
 C15(H15), C14(H14), C9(H9), C11(H11), C20(H20), C28(H28), C22(H22), C10(H10),
 C27(H27), C32(H32), C34(H34), C33(H33), C35(H35)
3.c Idealised Me refined as rotating group:
 C42(H42A,H42B,H42C), C40(H40A,H40B,H40C), C49(H49A,H49B,H49C), C48(H48A,H48B,
 H48C), C46(H46A,H46B,H46C), C39(H39A,H39B,H39C), C43(H43A,H43B,H43C), C45(H45A,
 H45B,H45C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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
Rh1 Rh 0.17634(2) 0.76435(2) 0.94883(2) 0.02436(6) Uani 1 1 d . . . . .
P1 P 0.14581(3) 0.63172(4) 0.92054(2) 0.02483(12) Uani 1 1 d . . . . .
P2 P 0.18366(3) 0.88981(4) 0.99241(3) 0.02688(13) Uani 1 1 d . . . . .
F24 F 0.36883(10) 0.93953(12) 0.86576(9) 0.0524(5) Uani 1 1 d . . . . .
F18 F 0.47641(12) 0.47993(12) 0.93157(9) 0.0561(5) Uani 1 1 d . . . . .
F22 F 0.45718(12) 1.00894(11) 0.91521(10) 0.0585(5) Uani 1 1 d . . . . .
O2 O 0.10253(11) 0.74898(12) 0.99192(8) 0.0353(4) Uani 1 1 d . . . . .
F17 F 0.42598(12) 0.41383(15) 0.85200(11) 0.0645(6) Uani 1 1 d . . . . .
F23 F 0.39955(15) 0.94440(15) 0.96013(10) 0.0723(7) Uani 1 1 d . . . . .
F19 F 0.60151(16) 0.66843(15) 1.04281(10) 0.0790(8) Uani 1 1 d . . . . .
O1 O 0.28372(13) 0.79337(15) 0.89538(11) 0.0504(5) Uani 1 1 d . . . . .
F16 F 0.52379(14) 0.37532(14) 0.91013(14) 0.0805(8) Uani 1 1 d . . . . .
C66 C 0.51549(12) 0.76366(14) 0.87068(10) 0.0241(4) Uani 1 1 d . . . . .
F20 F 0.58596(19) 0.7749(2) 1.08227(9) 0.0982(11) Uani 1 1 d . . . . .
C50 C 0.53898(13) 0.62624(15) 0.81729(10) 0.0274(5) Uani 1 1 d . . . . .
C67 C 0.47191(13) 0.82965(14) 0.86902(10) 0.0266(5) Uani 1 1 d . . . . .
H67 H 0.443480 0.848987 0.832440 0.032 Uiso 1 1 calc R U . . .
C73 C 0.55734(13) 0.73882(15) 0.92725(11) 0.0293(5) Uani 1 1 d . . . . .
H73 H 0.587512 0.695598 0.930858 0.035 Uiso 1 1 calc R U . . .
C74 C 0.45004(13) 0.73535(14) 0.75432(11) 0.0266(5) Uani 1 1 d . . . . .
C51 C 0.58154(15) 0.58679(17) 0.79135(12) 0.0340(5) Uani 1 1 d . . . . .
H51 H 0.601666 0.617071 0.768966 0.041 Uiso 1 1 calc R U . . .
C6 C 0.11216(13) 0.59202(15) 0.84512(10) 0.0280(5) Uani 1 1 d . . . . .
C59 C 0.58019(14) 0.84638(16) 0.76938(12) 0.0327(5) Uani 1 1 d . . . . .
H59 H 0.535850 0.866308 0.750087 0.039 Uiso 1 1 calc R U . . .
F9 F 0.56652(16) 0.9981(2) 0.7174(2) 0.1238(16) Uani 1 1 d . . . . .
C75 C 0.44679(15) 0.75030(17) 0.69632(11) 0.0324(5) Uani 1 1 d . . . . .
H75 H 0.487624 0.751011 0.687878 0.039 Uiso 1 1 calc R U . . .
F21 F 0.66743(15) 0.7661(3) 1.04621(13) 0.1173(15) Uani 1 1 d . . . . .
C25 C 0.25929(14) 0.95085(16) 1.03117(11) 0.0317(5) Uani 1 1 d . . . . .
F5 F 0.4336(2) 0.8394(2) 0.59143(12) 0.1053(11) Uani 1 1 d . . . . .
C55 C 0.52149(14) 0.49262(16) 0.85416(12) 0.0343(5) Uani 1 1 d . . . . .
C68 C 0.46964(14) 0.86727(15) 0.92011(11) 0.0307(5) Uani 1 1 d . . . . .
C58 C 0.58817(14) 0.77397(15) 0.80138(11) 0.0285(5) Uani 1 1 d . . . . .
C78 C 0.32201(15) 0.76259(18) 0.66048(12) 0.0363(6) Uani 1 1 d . . . . .
H78 H 0.280478 0.773512 0.630238 0.044 Uiso 1 1 calc R U . . .
C18 C 0.05346(14) 0.68622(16) 0.97408(11) 0.0311(5) Uani 1 1 d . . . . .
C76 C 0.38408(16) 0.76424(18) 0.65055(12) 0.0377(6) Uani 1 1 d . . . . .
C57 C 0.50891(13) 0.57597(15) 0.84845(11) 0.0298(5) Uani 1 1 d . . . . .
H57 H 0.479450 0.598796 0.866036 0.036 Uiso 1 1 calc R U . . .
C81 C 0.38605(14) 0.72992(16) 0.76248(10) 0.0296(5) Uani 1 1 d . . . . .
H81 H 0.385306 0.716290 0.799752 0.036 Uiso 1 1 calc R U . . .
C24 C 0.15400(13) 0.85928(16) 1.05318(11) 0.0304(5) Uani 1 1 d . . . . .
F15 F 0.6208(2) 0.4607(3) 0.71438(15) 0.1152(13) Uani 1 1 d . . . . .
F14 F 0.70093(15) 0.5115(2) 0.78079(16) 0.0914(9) Uani 1 1 d . . . . .
C71 C 0.55532(15) 0.77661(17) 0.97824(11) 0.0343(6) Uani 1 1 d . . . . .
F6 F 0.32985(19) 0.8207(3) 0.55603(13) 0.1336(18) Uani 1 1 d . . . . .
C17 C -0.00913(15) 0.69145(19) 0.98355(13) 0.0386(6) Uani 1 1 d . . . . .
H17 H -0.019397 0.735961 1.002748 0.046 Uiso 1 1 calc R U . . .
C13 C 0.06911(13) 0.62314(15) 0.94266(10) 0.0283(5) Uani 1 1 d . . . . .
C54 C 0.56516(15) 0.45597(16) 0.82924(13) 0.0369(6) Uani 1 1 d . . . . .
H54 H 0.574163 0.400680 0.833607 0.044 Uiso 1 1 calc R U . . .
C1 C 0.12339(15) 0.50996(17) 0.83728(12) 0.0353(6) Uani 1 1 d . . . . .
H1 H 0.148213 0.478675 0.869789 0.042 Uiso 1 1 calc R U . . .
C52 C 0.59500(17) 0.50374(18) 0.79773(13) 0.0400(6) Uani 1 1 d . . . . .
C4 C 0.04882(18) 0.6021(2) 0.74145(13) 0.0462(7) Uani 1 1 d . . . . .
H4 H 0.023850 0.632601 0.708544 0.055 Uiso 1 1 calc R U . . .
C2 C 0.09795(17) 0.47446(19) 0.78154(14) 0.0440(7) Uani 1 1 d . . . . .
H2 H 0.105929 0.419926 0.776598 0.053 Uiso 1 1 calc R U . . .
C19 C 0.11959(14) 0.78593(17) 1.04821(11) 0.0313(5) Uani 1 1 d . . . . .
F11 F 0.79471(17) 0.7447(3) 0.91502(16) 0.1219(15) Uani 1 1 d . . . . .
C23 C 0.17399(15) 0.89852(19) 1.10754(12) 0.0387(6) Uani 1 1 d . . . . .
H23 H 0.195614 0.948765 1.111890 0.046 Uiso 1 1 calc R U . . .
C30 C 0.32085(14) 0.91561(18) 1.06748(12) 0.0360(6) Uani 1 1 d . . . . .
C5 C 0.07292(14) 0.63981(17) 0.79691(11) 0.0340(5) Uani 1 1 d . . . . .
C60 C 0.63660(16) 0.88926(19) 0.76563(14) 0.0409(6) Uani 1 1 d . . . . .
C7 C 0.20710(14) 0.55766(15) 0.96611(11) 0.0307(5) Uani 1 1 d . . . . .
F8 F 0.6722(2) 1.02302(19) 0.75576(19) 0.1159(13) Uani 1 1 d . . . . .
C41 C 0.19469(18) 0.98168(18) 0.87881(13) 0.0418(6) Uani 1 1 d . . . . .
H41 H 0.227138 0.949016 0.910197 0.050 Uiso 1 1 calc R U . . .
C70 C 0.51179(15) 0.84135(17) 0.97549(11) 0.0347(5) Uani 1 1 d . . . . .
H70 H 0.510830 0.866692 1.009711 0.042 Uiso 1 1 calc R U . . .
C3 C 0.06079(19) 0.5211(2) 0.73380(13) 0.0489(8) Uani 1 1 d . . . . .
H3 H 0.043685 0.498132 0.696277 0.059 Uiso 1 1 calc R U . . .
C79 C 0.32365(14) 0.74402(17) 0.71725(12) 0.0343(6) Uani 1 1 d . . . . .
C8 C 0.19264(16) 0.52330(18) 1.01389(12) 0.0388(6) Uani 1 1 d . . . . .
H8 H 0.150921 0.534819 1.019196 0.047 Uiso 1 1 calc R U . . .
F13 F 0.6661(3) 0.3949(2) 0.7927(2) 0.159(2) Uani 1 1 d . . . . .
C16 C -0.05594(15) 0.6287(2) 0.96366(13) 0.0414(6) Uani 1 1 d . . . . .
H16 H -0.097903 0.630431 0.970209 0.050 Uiso 1 1 calc R U . . .
C37 C 0.24204(15) 0.78093(16) 0.91524(12) 0.0333(5) Uani 1 1 d . . . . .
F1 F 0.2057(2) 0.7163(7) 0.6865(2) 0.093(4) Uani 0.653(17) 1 d . . P A 1
C21 C 0.12953(17) 0.7881(2) 1.14937(13) 0.0445(7) Uani 1 1 d . . . . .
H21 H 0.122657 0.764097 1.181869 0.053 Uiso 1 1 calc R U . . .
C62 C 0.70385(15) 0.8627(2) 0.79388(15) 0.0448(7) Uani 1 1 d . . . . .
H62 H 0.741437 0.890962 0.790518 0.054 Uiso 1 1 calc R U . . .
C26 C 0.25248(19) 1.03549(18) 1.02565(13) 0.0437(7) Uani 1 1 d . . . . .
H26 H 0.210685 1.058161 1.002163 0.052 Uiso 1 1 calc R U . . .
C69 C 0.42383(17) 0.93907(18) 0.91550(13) 0.0403(6) Uani 1 1 d . . . . .
F4 F 0.4002(3) 0.7235(2) 0.56381(15) 0.155(2) Uani 1 1 d . . . . .
F7 F 0.6406(2) 0.9545(2) 0.68136(15) 0.1238(15) Uani 1 1 d . . . . .
C29 C 0.37528(17) 0.9683(2) 1.09664(14) 0.0498(8) Uani 1 1 d . . . . .
H29 H 0.416991 0.946643 1.121234 0.060 Uiso 1 1 calc R U . . .
C65 C 0.65656(15) 0.74973(18) 0.83088(13) 0.0369(6) Uani 1 1 d . . . . .
H65 H 0.664610 0.702987 0.853838 0.044 Uiso 1 1 calc R U . . .
C15 C -0.04102(16) 0.5632(2) 0.93412(13) 0.0419(7) Uani 1 1 d . . . . .
H15 H -0.072474 0.520849 0.921685 0.050 Uiso 1 1 calc R U . . .
F10 F 0.79589(19) 0.6911(3) 0.8405(2) 0.154(2) Uani 1 1 d . . . . .
C14 C 0.02075(15) 0.56083(18) 0.92307(12) 0.0370(6) Uani 1 1 d . . . . .
H14 H 0.030057 0.517317 0.902417 0.044 Uiso 1 1 calc R U . . .
C9 C 0.23992(19) 0.4724(2) 1.05318(14) 0.0506(8) Uani 1 1 d . . . . .
H9 H 0.230200 0.450096 1.084930 0.061 Uiso 1 1 calc R U . . .
C56 C 0.48739(17) 0.44115(18) 0.88716(15) 0.0426(6) Uani 1 1 d . . . . .
C11 C 0.31596(18) 0.4887(2) 0.99823(15) 0.0496(7) Uani 1 1 d . . . . .
H11 H 0.357652 0.476062 0.993239 0.060 Uiso 1 1 calc R U . . .
C20 C 0.10733(16) 0.74860(19) 1.09495(13) 0.0391(6) Uani 1 1 d . . . . .
H20 H 0.085003 0.698766 1.090261 0.047 Uiso 1 1 calc R U . . .
C28 C 0.3689(2) 1.0512(2) 1.08999(16) 0.0570(9) Uani 1 1 d . . . . .
H28 H 0.406391 1.084313 1.109385 0.068 Uiso 1 1 calc R U . . .
C22 C 0.16183(16) 0.8631(2) 1.15552(13) 0.0450(7) Uani 1 1 d . . . . .
H22 H 0.175383 0.889635 1.191799 0.054 Uiso 1 1 calc R U . . .
C36 C 0.12921(17) 0.99267(19) 0.89375(13) 0.0425(6) Uani 1 1 d . . . . .
C12 C 0.27005(15) 0.54129(18) 0.95802(12) 0.0374(6) Uani 1 1 d . . . . .
C77 C 0.3848(2) 0.7824(3) 0.58978(14) 0.0564(9) Uani 1 1 d . . . . .
C31 C 0.11907(15) 0.95742(18) 0.94335(12) 0.0386(6) Uani 1 1 d . . . . .
C44 C 0.29102(16) 0.5782(2) 0.90901(14) 0.0442(7) Uani 1 1 d . . . . .
H44 H 0.254775 0.616494 0.887254 0.053 Uiso 1 1 calc R U . . .
C63 C 0.71293(16) 0.7929(2) 0.82716(15) 0.0460(7) Uani 1 1 d . . . . .
C38 C 0.33083(16) 0.8255(2) 1.07796(14) 0.0440(7) Uani 1 1 d . . . . .
H38 H 0.288427 0.798380 1.053142 0.053 Uiso 1 1 calc R U . . .
F12 F 0.83292(14) 0.8083(3) 0.8575(3) 0.183(3) Uani 1 1 d . . . . .
C72 C 0.60308(19) 0.7480(2) 1.03735(13) 0.0459(7) Uani 1 1 d . . . . .
B1 B 0.52286(14) 0.72416(16) 0.81013(11) 0.0252(5) Uani 1 1 d . . . . .
C10 C 0.30142(19) 0.4551(2) 1.04502(16) 0.0543(8) Uani 1 1 d . . . . .
H10 H 0.333226 0.420581 1.071140 0.065 Uiso 1 1 calc R U . . .
C47 C 0.05245(17) 0.72700(18) 0.80272(13) 0.0449(7) Uani 1 1 d . . . . .
H47 H 0.086409 0.749525 0.838701 0.054 Uiso 1 1 calc R U . . .
C27 C 0.3077(2) 1.0851(2) 1.05498(16) 0.0543(8) Uani 1 1 d . . . . .
H27 H 0.303346 1.141037 1.051029 0.065 Uiso 1 1 calc R U . . .
C42 C 0.1797(2) 0.9363(2) 0.82045(15) 0.0558(8) Uani 1 1 d . . . . .
H42A H 0.157902 0.885506 0.822409 0.084 Uiso 1 1 calc R U . . .
H42B H 0.222304 0.926653 0.813536 0.084 Uiso 1 1 calc R U . . .
H42C H 0.149501 0.968267 0.788702 0.084 Uiso 1 1 calc R U . . .
F3 F 0.2605(2) 0.6901(6) 0.7745(3) 0.094(3) Uani 0.653(17) 1 d . . P A 1
C61 C 0.6258(2) 0.9648(2) 0.7290(2) 0.0604(10) Uani 1 1 d . . . . .
C80 C 0.25717(17) 0.7414(3) 0.72991(15) 0.0521(9) Uani 1 1 d . . . . .
C32 C 0.05645(18) 0.9671(3) 0.95266(14) 0.0539(8) Uani 1 1 d . . . . .
H32 H 0.049375 0.942015 0.984717 0.065 Uiso 1 1 calc R U . . .
C40 C 0.3421(2) 0.8043(3) 1.14264(17) 0.0619(10) Uani 1 1 d . . . . .
H40A H 0.384093 0.829186 1.167837 0.093 Uiso 1 1 calc R U . . .
H40B H 0.345553 0.746612 1.147666 0.093 Uiso 1 1 calc R U . . .
H40C H 0.303810 0.823940 1.152917 0.093 Uiso 1 1 calc R U . . .
C49 C 0.0528(2) 0.7797(2) 0.75077(18) 0.0599(10) Uani 1 1 d . . . . .
H49A H 0.098222 0.779361 0.747941 0.090 Uiso 1 1 calc R U . . .
H49B H 0.040408 0.834247 0.756860 0.090 Uiso 1 1 calc R U . . .
H49C H 0.020022 0.758829 0.714814 0.090 Uiso 1 1 calc R U . . .
C48 C -0.0186(2) 0.7310(2) 0.80971(17) 0.0605(10) Uani 1 1 d . . . . .
H48A H -0.053392 0.712526 0.773952 0.091 Uiso 1 1 calc R U . . .
H48B H -0.028366 0.785857 0.817503 0.091 Uiso 1 1 calc R U . . .
H48C H -0.018757 0.697044 0.842080 0.091 Uiso 1 1 calc R U . . .
C46 C 0.35890(18) 0.6256(2) 0.93461(17) 0.0539(8) Uani 1 1 d . . . . .
H46A H 0.354706 0.664400 0.962927 0.081 Uiso 1 1 calc R U . . .
H46B H 0.368527 0.653408 0.903240 0.081 Uiso 1 1 calc R U . . .
H46C H 0.395980 0.588812 0.953676 0.081 Uiso 1 1 calc R U . . .
C39 C 0.3904(2) 0.7940(3) 1.06024(19) 0.0654(10) Uani 1 1 d . . . . .
H39A H 0.382580 0.807803 1.019696 0.098 Uiso 1 1 calc R U . . .
H39B H 0.393320 0.736157 1.064739 0.098 Uiso 1 1 calc R U . . .
H39C H 0.432945 0.818055 1.085089 0.098 Uiso 1 1 calc R U . . .
C43 C 0.2298(2) 1.0622(2) 0.8758(2) 0.0613(10) Uani 1 1 d . . . . .
H43A H 0.198871 1.095399 0.845328 0.092 Uiso 1 1 calc R U . . .
H43B H 0.271156 1.052276 0.866858 0.092 Uiso 1 1 calc R U . . .
H43C H 0.241483 1.089457 0.913142 0.092 Uiso 1 1 calc R U . . .
C53 C 0.6450(2) 0.4656(2) 0.77209(19) 0.0597(10) Uani 1 1 d . . . . .
C45 C 0.2974(2) 0.5143(3) 0.86522(18) 0.0639(10) Uani 1 1 d . . . . .
H45A H 0.332803 0.476069 0.885494 0.096 Uiso 1 1 calc R U . . .
H45B H 0.309381 0.540069 0.834302 0.096 Uiso 1 1 calc R U . . .
H45C H 0.254061 0.486489 0.848373 0.096 Uiso 1 1 calc R U . . .
F2 F 0.2435(5) 0.8113(4) 0.7483(6) 0.114(4) Uani 0.653(17) 1 d . . P A 1
C34 C 0.0150(2) 1.0509(3) 0.86637(18) 0.0709(12) Uani 1 1 d . . . . .
H34 H -0.019453 1.083297 0.840913 0.085 Uiso 1 1 calc R U . . .
C33 C 0.0044(2) 1.0143(3) 0.91398(18) 0.0744(14) Uani 1 1 d . . . . .
H33 H -0.037385 1.021151 0.920258 0.089 Uiso 1 1 calc R U . . .
C35 C 0.0760(2) 1.0399(2) 0.85629(16) 0.0575(9) Uani 1 1 d . . . . .
H35 H 0.082087 1.064512 0.823654 0.069 Uiso 1 1 calc R U . . .
C64 C 0.7854(2) 0.7621(3) 0.8593(2) 0.0686(12) Uani 1 1 d . . . . .
F2A F 0.2084(5) 0.7925(13) 0.6927(7) 0.111(8) Uani 0.347(17) 1 d . . P A 2
F3A F 0.2606(4) 0.7627(16) 0.7796(5) 0.120(10) Uani 0.347(17) 1 d . . P A 2
F1A F 0.2299(12) 0.6731(9) 0.7217(13) 0.152(13) Uani 0.347(17) 1 d . . P A 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
Rh1 P1 2.3143(6) . ?
Rh1 P2 2.3028(6) . ?
Rh1 O2 2.1281(19) . ?
Rh1 C37 1.819(3) . ?
P1 C6 1.827(2) . ?
P1 C13 1.836(3) . ?
P1 C7 1.827(3) . ?
P2 C25 1.819(3) . ?
P2 C24 1.838(3) . ?
P2 C31 1.824(3) . ?
F24 C69 1.335(4) . ?
F18 C56 1.330(4) . ?
F22 C69 1.343(4) . ?
O2 C18 1.407(3) . ?
O2 C19 1.415(3) . ?
F17 C56 1.335(4) . ?
F23 C69 1.334(4) . ?
F19 C72 1.322(4) . ?
O1 C37 1.135(4) . ?
F16 C56 1.328(4) . ?
C66 C67 1.403(3) . ?
C66 C73 1.399(3) . ?
C66 B1 1.650(3) . ?
F20 C72 1.323(4) . ?
C50 C51 1.398(4) . ?
C50 C57 1.398(4) . ?
C50 B1 1.647(4) . ?
C67 H67 0.9300 . ?
C67 C68 1.392(3) . ?
C73 H73 0.9300 . ?
C73 C71 1.390(4) . ?
C74 C75 1.396(4) . ?
C74 C81 1.399(4) . ?
C74 B1 1.643(3) . ?
C51 H51 0.9300 . ?
C51 C52 1.397(4) . ?
C6 C1 1.398(4) . ?
C6 C5 1.406(4) . ?
C59 H59 0.9300 . ?
C59 C58 1.401(4) . ?
C59 C60 1.389(4) . ?
F9 C61 1.278(5) . ?
C75 H75 0.9300 . ?
C75 C76 1.398(4) . ?
F21 C72 1.301(5) . ?
C25 C30 1.395(4) . ?
C25 C26 1.406(4) . ?
F5 C77 1.367(5) . ?
C55 C57 1.398(4) . ?
C55 C54 1.380(4) . ?
C55 C56 1.493(4) . ?
C68 C70 1.384(4) . ?
C68 C69 1.494(4) . ?
C58 C65 1.399(4) . ?
C58 B1 1.650(4) . ?
C78 H78 0.9300 . ?
C78 C76 1.378(4) . ?
C78 C79 1.389(4) . ?
C18 C17 1.386(4) . ?
C18 C13 1.388(4) . ?
C76 C77 1.498(4) . ?
C57 H57 0.9300 . ?
C81 H81 0.9300 . ?
C81 C79 1.388(4) . ?
C24 C19 1.387(4) . ?
C24 C23 1.389(4) . ?
F15 C53 1.307(5) . ?
F14 C53 1.334(5) . ?
C71 C70 1.381(4) . ?
C71 C72 1.500(4) . ?
F6 C77 1.305(5) . ?
C17 H17 0.9300 . ?
C17 C16 1.384(4) . ?
C13 C14 1.396(4) . ?
C54 H54 0.9300 . ?
C54 C52 1.376(4) . ?
C1 H1 0.9300 . ?
C1 C2 1.391(4) . ?
C52 C53 1.507(4) . ?
C4 H4 0.9300 . ?
C4 C5 1.400(4) . ?
C4 C3 1.383(5) . ?
C2 H2 0.9300 . ?
C2 C3 1.376(5) . ?
C19 C20 1.380(4) . ?
F11 C64 1.318(6) . ?
C23 H23 0.9300 . ?
C23 C22 1.392(4) . ?
C30 C29 1.401(4) . ?
C30 C38 1.510(4) . ?
C5 C47 1.519(4) . ?
C60 C62 1.386(4) . ?
C60 C61 1.499(4) . ?
C7 C8 1.403(4) . ?
C7 C12 1.401(4) . ?
F8 C61 1.352(6) . ?
C41 H41 0.9800 . ?
C41 C36 1.520(5) . ?
C41 C42 1.527(5) . ?
C41 C43 1.526(5) . ?
C70 H70 0.9300 . ?
C3 H3 0.9300 . ?
C79 C80 1.501(4) . ?
C8 H8 0.9300 . ?
C8 C9 1.383(4) . ?
F13 C53 1.284(4) . ?
C16 H16 0.9300 . ?
C16 C15 1.384(5) . ?
F1 C80 1.275(5) . ?
C21 H21 0.9300 . ?
C21 C20 1.392(4) . ?
C21 C22 1.388(5) . ?
C62 H62 0.9300 . ?
C62 C63 1.379(4) . ?
C26 H26 0.9300 . ?
C26 C27 1.381(5) . ?
F4 C77 1.254(5) . ?
F7 C61 1.294(5) . ?
C29 H29 0.9300 . ?
C29 C28 1.379(6) . ?
C65 H65 0.9300 . ?
C65 C63 1.390(4) . ?
C15 H15 0.9300 . ?
C15 C14 1.386(4) . ?
F10 C64 1.301(7) . ?
C14 H14 0.9300 . ?
C9 H9 0.9300 . ?
C9 C10 1.376(6) . ?
C11 H11 0.9300 . ?
C11 C12 1.397(4) . ?
C11 C10 1.377(5) . ?
C20 H20 0.9300 . ?
C28 H28 0.9300 . ?
C28 C27 1.371(6) . ?
C22 H22 0.9300 . ?
C36 C31 1.406(4) . ?
C36 C35 1.392(4) . ?
C12 C44 1.516(4) . ?
C31 C32 1.391(5) . ?
C44 H44 0.9800 . ?
C44 C46 1.533(5) . ?
C44 C45 1.529(5) . ?
C63 C64 1.513(5) . ?
C38 H38 0.9800 . ?
C38 C40 1.533(5) . ?
C38 C39 1.522(5) . ?
F12 C64 1.253(5) . ?
C10 H10 0.9300 . ?
C47 H47 0.9800 . ?
C47 C49 1.526(5) . ?
C47 C48 1.530(6) . ?
C27 H27 0.9300 . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?
F3 C80 1.349(6) . ?
C80 F2 1.300(7) . ?
C80 F2A 1.381(10) . ?
C80 F3A 1.225(9) . ?
C80 F1A 1.244(12) . ?
C32 H32 0.9300 . ?
C32 C33 1.391(5) . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
C49 H49A 0.9600 . ?
C49 H49B 0.9600 . ?
C49 H49C 0.9600 . ?
C48 H48A 0.9600 . ?
C48 H48B 0.9600 . ?
C48 H48C 0.9600 . ?
C46 H46A 0.9600 . ?
C46 H46B 0.9600 . ?
C46 H46C 0.9600 . ?
C39 H39A 0.9600 . ?
C39 H39B 0.9600 . ?
C39 H39C 0.9600 . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 0.9600 . ?
C45 H45A 0.9600 . ?
C45 H45B 0.9600 . ?
C45 H45C 0.9600 . ?
C34 H34 0.9300 . ?
C34 C33 1.377(6) . ?
C34 C35 1.371(6) . ?
C33 H33 0.9300 . ?
C35 H35 0.9300 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P2 Rh1 P1 162.41(2) . . ?
O2 Rh1 P1 82.16(5) . . ?
O2 Rh1 P2 80.28(5) . . ?
C37 Rh1 P1 100.36(9) . . ?
C37 Rh1 P2 97.17(9) . . ?
C37 Rh1 O2 176.95(10) . . ?
C6 P1 Rh1 127.10(9) . . ?
C6 P1 C13 100.96(11) . . ?
C13 P1 Rh1 99.27(8) . . ?
C7 P1 Rh1 113.27(9) . . ?
C7 P1 C6 107.69(12) . . ?
C7 P1 C13 105.02(12) . . ?
C25 P2 Rh1 129.95(9) . . ?
C25 P2 C24 101.74(12) . . ?
C25 P2 C31 107.31(13) . . ?
C24 P2 Rh1 97.36(9) . . ?
C31 P2 Rh1 109.66(10) . . ?
C31 P2 C24 108.39(13) . . ?
C18 O2 Rh1 119.78(15) . . ?
C18 O2 C19 121.7(2) . . ?
C19 O2 Rh1 115.55(15) . . ?
C67 C66 B1 122.2(2) . . ?
C73 C66 C67 115.4(2) . . ?
C73 C66 B1 122.1(2) . . ?
C51 C50 B1 123.0(2) . . ?
C57 C50 C51 115.1(2) . . ?
C57 C50 B1 121.9(2) . . ?
C66 C67 H67 118.8 . . ?
C68 C67 C66 122.4(2) . . ?
C68 C67 H67 118.8 . . ?
C66 C73 H73 118.9 . . ?
C71 C73 C66 122.2(2) . . ?
C71 C73 H73 118.9 . . ?
C75 C74 C81 115.3(2) . . ?
C75 C74 B1 123.6(2) . . ?
C81 C74 B1 121.1(2) . . ?
C50 C51 H51 118.7 . . ?
C52 C51 C50 122.6(3) . . ?
C52 C51 H51 118.7 . . ?
C1 C6 P1 117.25(19) . . ?
C1 C6 C5 120.5(2) . . ?
C5 C6 P1 122.18(19) . . ?
C58 C59 H59 119.1 . . ?
C60 C59 H59 119.1 . . ?
C60 C59 C58 121.9(3) . . ?
C74 C75 H75 119.0 . . ?
C74 C75 C76 122.1(3) . . ?
C76 C75 H75 119.0 . . ?
C30 C25 P2 121.5(2) . . ?
C30 C25 C26 120.9(3) . . ?
C26 C25 P2 117.5(2) . . ?
C57 C55 C56 120.5(3) . . ?
C54 C55 C57 121.0(3) . . ?
C54 C55 C56 118.5(2) . . ?
C67 C68 C69 120.0(2) . . ?
C70 C68 C67 120.8(2) . . ?
C70 C68 C69 119.2(2) . . ?
C59 C58 B1 123.3(2) . . ?
C65 C58 C59 115.5(2) . . ?
C65 C58 B1 120.9(2) . . ?
C76 C78 H78 121.2 . . ?
C76 C78 C79 117.7(3) . . ?
C79 C78 H78 121.2 . . ?
C17 C18 O2 120.9(2) . . ?
C17 C18 C13 122.6(2) . . ?
C13 C18 O2 116.2(2) . . ?
C75 C76 C77 119.1(3) . . ?
C78 C76 C75 121.3(3) . . ?
C78 C76 C77 119.6(3) . . ?
C50 C57 C55 122.4(2) . . ?
C50 C57 H57 118.8 . . ?
C55 C57 H57 118.8 . . ?
C74 C81 H81 118.6 . . ?
C79 C81 C74 122.7(2) . . ?
C79 C81 H81 118.6 . . ?
C19 C24 P2 118.04(18) . . ?
C19 C24 C23 117.7(2) . . ?
C23 C24 P2 123.3(2) . . ?
C73 C71 C72 119.2(3) . . ?
C70 C71 C73 121.4(2) . . ?
C70 C71 C72 119.4(3) . . ?
C18 C17 H17 120.9 . . ?
C16 C17 C18 118.2(3) . . ?
C16 C17 H17 120.9 . . ?
C18 C13 P1 118.92(19) . . ?
C18 C13 C14 117.7(2) . . ?
C14 C13 P1 122.9(2) . . ?
C55 C54 H54 121.0 . . ?
C52 C54 C55 118.0(3) . . ?
C52 C54 H54 121.0 . . ?
C6 C1 H1 119.5 . . ?
C2 C1 C6 120.9(3) . . ?
C2 C1 H1 119.5 . . ?
C51 C52 C53 120.2(3) . . ?
C54 C52 C51 120.9(3) . . ?
C54 C52 C53 118.8(3) . . ?
C5 C4 H4 118.8 . . ?
C3 C4 H4 118.8 . . ?
C3 C4 C5 122.4(3) . . ?
C1 C2 H2 120.5 . . ?
C3 C2 C1 119.1(3) . . ?
C3 C2 H2 120.5 . . ?
C24 C19 O2 114.2(2) . . ?
C20 C19 O2 122.2(3) . . ?
C20 C19 C24 123.4(2) . . ?
C24 C23 H23 119.8 . . ?
C24 C23 C22 120.4(3) . . ?
C22 C23 H23 119.8 . . ?
C25 C30 C29 116.9(3) . . ?
C25 C30 C38 123.9(2) . . ?
C29 C30 C38 119.2(3) . . ?
C6 C5 C47 123.7(2) . . ?
C4 C5 C6 116.9(3) . . ?
C4 C5 C47 119.4(3) . . ?
C59 C60 C61 120.2(3) . . ?
C62 C60 C59 121.5(3) . . ?
C62 C60 C61 118.2(3) . . ?
C8 C7 P1 117.7(2) . . ?
C12 C7 P1 121.8(2) . . ?
C12 C7 C8 120.2(2) . . ?
C36 C41 H41 107.9 . . ?
C36 C41 C42 111.2(3) . . ?
C36 C41 C43 112.4(3) . . ?
C42 C41 H41 107.9 . . ?
C43 C41 H41 107.9 . . ?
C43 C41 C42 109.4(3) . . ?
C68 C70 H70 121.1 . . ?
C71 C70 C68 117.8(2) . . ?
C71 C70 H70 121.1 . . ?
C4 C3 H3 119.9 . . ?
C2 C3 C4 120.2(3) . . ?
C2 C3 H3 119.9 . . ?
C78 C79 C80 119.4(3) . . ?
C81 C79 C78 120.7(3) . . ?
C81 C79 C80 119.9(3) . . ?
C7 C8 H8 119.7 . . ?
C9 C8 C7 120.6(3) . . ?
C9 C8 H8 119.7 . . ?
C17 C16 H16 119.6 . . ?
C17 C16 C15 120.7(3) . . ?
C15 C16 H16 119.6 . . ?
O1 C37 Rh1 177.8(3) . . ?
C20 C21 H21 119.7 . . ?
C22 C21 H21 119.7 . . ?
C22 C21 C20 120.5(3) . . ?
C60 C62 H62 121.2 . . ?
C63 C62 C60 117.5(3) . . ?
C63 C62 H62 121.2 . . ?
C25 C26 H26 119.9 . . ?
C27 C26 C25 120.2(3) . . ?
C27 C26 H26 119.9 . . ?
F24 C69 F22 105.5(2) . . ?
F24 C69 C68 112.9(2) . . ?
F22 C69 C68 111.8(3) . . ?
F23 C69 F24 106.5(3) . . ?
F23 C69 F22 106.3(3) . . ?
F23 C69 C68 113.2(2) . . ?
C30 C29 H29 119.0 . . ?
C28 C29 C30 122.0(3) . . ?
C28 C29 H29 119.0 . . ?
C58 C65 H65 118.8 . . ?
C63 C65 C58 122.4(3) . . ?
C63 C65 H65 118.8 . . ?
C16 C15 H15 120.0 . . ?
C16 C15 C14 120.1(3) . . ?
C14 C15 H15 120.0 . . ?
C13 C14 H14 119.7 . . ?
C15 C14 C13 120.6(3) . . ?
C15 C14 H14 119.7 . . ?
C8 C9 H9 120.2 . . ?
C10 C9 C8 119.6(3) . . ?
C10 C9 H9 120.2 . . ?
F18 C56 F17 106.7(3) . . ?
F18 C56 C55 113.2(3) . . ?
F17 C56 C55 111.8(3) . . ?
F16 C56 F18 106.7(3) . . ?
F16 C56 F17 105.3(3) . . ?
F16 C56 C55 112.7(3) . . ?
C12 C11 H11 119.0 . . ?
C10 C11 H11 119.0 . . ?
C10 C11 C12 122.1(3) . . ?
C19 C20 C21 117.7(3) . . ?
C19 C20 H20 121.1 . . ?
C21 C20 H20 121.1 . . ?
C29 C28 H28 119.8 . . ?
C27 C28 C29 120.5(3) . . ?
C27 C28 H28 119.8 . . ?
C23 C22 H22 119.9 . . ?
C21 C22 C23 120.2(3) . . ?
C21 C22 H22 119.9 . . ?
C31 C36 C41 123.6(3) . . ?
C35 C36 C41 118.5(3) . . ?
C35 C36 C31 117.9(3) . . ?
C7 C12 C44 123.7(2) . . ?
C11 C12 C7 117.4(3) . . ?
C11 C12 C44 118.9(3) . . ?
F5 C77 C76 111.3(3) . . ?
F6 C77 F5 99.0(4) . . ?
F6 C77 C76 114.1(3) . . ?
F4 C77 F5 103.7(4) . . ?
F4 C77 C76 114.8(4) . . ?
F4 C77 F6 112.2(4) . . ?
C36 C31 P2 121.0(2) . . ?
C32 C31 P2 118.4(2) . . ?
C32 C31 C36 120.4(3) . . ?
C12 C44 H44 107.9 . . ?
C12 C44 C46 110.9(3) . . ?
C12 C44 C45 111.9(3) . . ?
C46 C44 H44 107.9 . . ?
C45 C44 H44 107.9 . . ?
C45 C44 C46 110.3(3) . . ?
C62 C63 C65 121.1(3) . . ?
C62 C63 C64 119.4(3) . . ?
C65 C63 C64 119.5(3) . . ?
C30 C38 H38 107.9 . . ?
C30 C38 C40 111.0(3) . . ?
C30 C38 C39 111.5(3) . . ?
C40 C38 H38 107.9 . . ?
C39 C38 H38 107.9 . . ?
C39 C38 C40 110.5(3) . . ?
F19 C72 F20 103.2(3) . . ?
F19 C72 C71 112.1(3) . . ?
F20 C72 C71 113.4(3) . . ?
F21 C72 F19 105.7(3) . . ?
F21 C72 F20 109.3(3) . . ?
F21 C72 C71 112.4(3) . . ?
C50 B1 C66 111.82(19) . . ?
C50 B1 C58 111.0(2) . . ?
C74 B1 C66 110.0(2) . . ?
C74 B1 C50 106.87(19) . . ?
C74 B1 C58 113.2(2) . . ?
C58 B1 C66 104.00(19) . . ?
C9 C10 C11 120.1(3) . . ?
C9 C10 H10 119.9 . . ?
C11 C10 H10 119.9 . . ?
C5 C47 H47 107.7 . . ?
C5 C47 C49 112.7(3) . . ?
C5 C47 C48 110.9(3) . . ?
C49 C47 H47 107.7 . . ?
C49 C47 C48 109.9(3) . . ?
C48 C47 H47 107.7 . . ?
C26 C27 H27 120.2 . . ?
C28 C27 C26 119.5(3) . . ?
C28 C27 H27 120.2 . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
F9 C61 C60 115.1(3) . . ?
F9 C61 F8 105.2(4) . . ?
F9 C61 F7 111.2(4) . . ?
F8 C61 C60 111.9(4) . . ?
F7 C61 C60 112.3(3) . . ?
F7 C61 F8 99.9(4) . . ?
F1 C80 C79 113.7(3) . . ?
F1 C80 F3 104.4(5) . . ?
F1 C80 F2 110.5(6) . . ?
F3 C80 C79 112.3(4) . . ?
F2 C80 C79 111.2(4) . . ?
F2 C80 F3 104.1(6) . . ?
F2A C80 C79 111.2(5) . . ?
F3A C80 C79 116.0(5) . . ?
F3A C80 F2A 104.0(10) . . ?
F3A C80 F1A 106.7(12) . . ?
F1A C80 C79 112.8(7) . . ?
F1A C80 F2A 105.2(13) . . ?
C31 C32 H32 120.0 . . ?
C31 C32 C33 119.9(3) . . ?
C33 C32 H32 120.0 . . ?
C38 C40 H40A 109.5 . . ?
C38 C40 H40B 109.5 . . ?
C38 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C47 C49 H49A 109.5 . . ?
C47 C49 H49B 109.5 . . ?
C47 C49 H49C 109.5 . . ?
H49A C49 H49B 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C47 C48 H48A 109.5 . . ?
C47 C48 H48B 109.5 . . ?
C47 C48 H48C 109.5 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C44 C46 H46A 109.5 . . ?
C44 C46 H46B 109.5 . . ?
C44 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C38 C39 H39A 109.5 . . ?
C38 C39 H39B 109.5 . . ?
C38 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C41 C43 H43A 109.5 . . ?
C41 C43 H43B 109.5 . . ?
C41 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
F15 C53 F14 101.2(3) . . ?
F15 C53 C52 113.4(4) . . ?
F14 C53 C52 111.8(3) . . ?
F13 C53 F15 108.0(4) . . ?
F13 C53 F14 107.2(4) . . ?
F13 C53 C52 114.3(3) . . ?
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 . . ?
C33 C34 H34 119.8 . . ?
C35 C34 H34 119.8 . . ?
C35 C34 C33 120.4(3) . . ?
C32 C33 H33 120.1 . . ?
C34 C33 C32 119.8(4) . . ?
C34 C33 H33 120.1 . . ?
C36 C35 H35 119.2 . . ?
C34 C35 C36 121.6(4) . . ?
C34 C35 H35 119.2 . . ?
F11 C64 C63 111.5(4) . . ?
F10 C64 F11 100.1(4) . . ?
F10 C64 C63 112.1(4) . . ?
F12 C64 F11 109.0(5) . . ?
F12 C64 F10 108.1(5) . . ?
F12 C64 C63 114.9(3) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Rh1 P1 C6 C1 154.39(18) . . . . ?
Rh1 P1 C6 C5 -29.3(3) . . . . ?
Rh1 P1 C13 C18 -7.1(2) . . . . ?
Rh1 P1 C13 C14 164.6(2) . . . . ?
Rh1 P1 C7 C8 94.9(2) . . . . ?
Rh1 P1 C7 C12 -78.6(2) . . . . ?
Rh1 P2 C25 C30 -36.9(3) . . . . ?
Rh1 P2 C25 C26 146.23(19) . . . . ?
Rh1 P2 C24 C19 -17.2(2) . . . . ?
Rh1 P2 C24 C23 151.7(2) . . . . ?
Rh1 P2 C31 C36 -77.0(3) . . . . ?
Rh1 P2 C31 C32 96.8(3) . . . . ?
Rh1 O2 C18 C17 -155.4(2) . . . . ?
Rh1 O2 C18 C13 19.6(3) . . . . ?
Rh1 O2 C19 C24 35.8(3) . . . . ?
Rh1 O2 C19 C20 -139.6(2) . . . . ?
P1 C6 C1 C2 178.3(2) . . . . ?
P1 C6 C5 C4 -178.7(2) . . . . ?
P1 C6 C5 C47 -2.4(4) . . . . ?
P1 C13 C14 C15 -170.8(2) . . . . ?
P1 C7 C8 C9 -174.2(3) . . . . ?
P1 C7 C12 C11 174.8(2) . . . . ?
P1 C7 C12 C44 -4.3(4) . . . . ?
P2 C25 C30 C29 -178.2(2) . . . . ?
P2 C25 C30 C38 0.2(4) . . . . ?
P2 C25 C26 C27 178.7(3) . . . . ?
P2 C24 C19 O2 -9.0(3) . . . . ?
P2 C24 C19 C20 166.4(2) . . . . ?
P2 C24 C23 C22 -166.5(2) . . . . ?
P2 C31 C32 C33 -176.1(4) . . . . ?
O2 C18 C17 C16 178.4(3) . . . . ?
O2 C18 C13 P1 -6.4(3) . . . . ?
O2 C18 C13 C14 -178.5(2) . . . . ?
O2 C19 C20 C21 176.5(3) . . . . ?
C66 C67 C68 C70 1.0(4) . . . . ?
C66 C67 C68 C69 178.0(2) . . . . ?
C66 C73 C71 C70 -0.4(4) . . . . ?
C66 C73 C71 C72 -178.4(3) . . . . ?
C50 C51 C52 C54 1.5(5) . . . . ?
C50 C51 C52 C53 -176.0(3) . . . . ?
C67 C66 C73 C71 0.5(4) . . . . ?
C67 C66 B1 C50 -148.6(2) . . . . ?
C67 C66 B1 C74 -30.0(3) . . . . ?
C67 C66 B1 C58 91.5(3) . . . . ?
C67 C68 C70 C71 -0.7(4) . . . . ?
C67 C68 C69 F24 27.3(4) . . . . ?
C67 C68 C69 F22 -91.5(3) . . . . ?
C67 C68 C69 F23 148.5(3) . . . . ?
C73 C66 C67 C68 -0.8(4) . . . . ?
C73 C66 B1 C50 37.9(3) . . . . ?
C73 C66 B1 C74 156.5(2) . . . . ?
C73 C66 B1 C58 -82.0(3) . . . . ?
C73 C71 C70 C68 0.4(4) . . . . ?
C73 C71 C72 F19 -48.8(4) . . . . ?
C73 C71 C72 F20 -165.3(3) . . . . ?
C73 C71 C72 F21 70.0(4) . . . . ?
C74 C75 C76 C78 -1.0(4) . . . . ?
C74 C75 C76 C77 178.1(3) . . . . ?
C74 C81 C79 C78 1.6(4) . . . . ?
C74 C81 C79 C80 -176.8(3) . . . . ?
C51 C50 C57 C55 1.1(4) . . . . ?
C51 C50 B1 C66 -144.9(2) . . . . ?
C51 C50 B1 C74 94.6(3) . . . . ?
C51 C50 B1 C58 -29.3(3) . . . . ?
C51 C52 C53 F15 -72.0(5) . . . . ?
C51 C52 C53 F14 41.6(5) . . . . ?
C51 C52 C53 F13 163.6(4) . . . . ?
C6 P1 C13 C18 -138.0(2) . . . . ?
C6 P1 C13 C14 33.7(3) . . . . ?
C6 P1 C7 C8 -119.3(2) . . . . ?
C6 P1 C7 C12 67.2(2) . . . . ?
C6 C1 C2 C3 -0.5(5) . . . . ?
C6 C5 C47 C49 143.8(3) . . . . ?
C6 C5 C47 C48 -92.6(3) . . . . ?
C59 C58 C65 C63 -2.1(4) . . . . ?
C59 C58 B1 C66 -89.1(3) . . . . ?
C59 C58 B1 C50 150.5(2) . . . . ?
C59 C58 B1 C74 30.3(3) . . . . ?
C59 C60 C62 C63 -1.5(5) . . . . ?
C59 C60 C61 F9 19.8(6) . . . . ?
C59 C60 C61 F8 139.9(4) . . . . ?
C59 C60 C61 F7 -108.7(4) . . . . ?
C75 C74 C81 C79 -4.4(4) . . . . ?
C75 C74 B1 C66 144.4(2) . . . . ?
C75 C74 B1 C50 -94.0(3) . . . . ?
C75 C74 B1 C58 28.5(3) . . . . ?
C75 C76 C77 F5 -46.8(5) . . . . ?
C75 C76 C77 F6 -157.8(4) . . . . ?
C75 C76 C77 F4 70.7(5) . . . . ?
C25 P2 C24 C19 -150.7(2) . . . . ?
C25 P2 C24 C23 18.2(3) . . . . ?
C25 P2 C31 C36 68.7(3) . . . . ?
C25 P2 C31 C32 -117.6(3) . . . . ?
C25 C30 C29 C28 -0.1(5) . . . . ?
C25 C30 C38 C40 -114.3(3) . . . . ?
C25 C30 C38 C39 121.9(3) . . . . ?
C25 C26 C27 C28 -0.7(5) . . . . ?
C55 C54 C52 C51 0.1(5) . . . . ?
C55 C54 C52 C53 177.7(3) . . . . ?
C58 C59 C60 C62 -0.5(5) . . . . ?
C58 C59 C60 C61 177.6(3) . . . . ?
C58 C65 C63 C62 0.2(5) . . . . ?
C58 C65 C63 C64 -178.8(4) . . . . ?
C78 C76 C77 F5 132.4(4) . . . . ?
C78 C76 C77 F6 21.4(6) . . . . ?
C78 C76 C77 F4 -110.2(5) . . . . ?
C78 C79 C80 F1 33.7(7) . . . . ?
C78 C79 C80 F3 152.0(6) . . . . ?
C78 C79 C80 F2 -91.9(7) . . . . ?
C78 C79 C80 F2A -28.2(12) . . . . ?
C78 C79 C80 F3A -146.7(15) . . . . ?
C78 C79 C80 F1A 89.8(17) . . . . ?
C18 O2 C19 C24 -163.8(2) . . . . ?
C18 O2 C19 C20 20.7(4) . . . . ?
C18 C17 C16 C15 -1.2(5) . . . . ?
C18 C13 C14 C15 1.0(4) . . . . ?
C76 C78 C79 C81 1.7(4) . . . . ?
C76 C78 C79 C80 -179.8(3) . . . . ?
C57 C50 C51 C52 -2.1(4) . . . . ?
C57 C50 B1 C66 37.2(3) . . . . ?
C57 C50 B1 C74 -83.2(3) . . . . ?
C57 C50 B1 C58 152.9(2) . . . . ?
C57 C55 C54 C52 -1.1(4) . . . . ?
C57 C55 C56 F18 -32.0(4) . . . . ?
C57 C55 C56 F17 88.5(3) . . . . ?
C57 C55 C56 F16 -153.2(3) . . . . ?
C81 C74 C75 C76 4.1(4) . . . . ?
C81 C74 B1 C66 -35.9(3) . . . . ?
C81 C74 B1 C50 85.7(3) . . . . ?
C81 C74 B1 C58 -151.8(2) . . . . ?
C81 C79 C80 F1 -147.9(6) . . . . ?
C81 C79 C80 F3 -29.6(7) . . . . ?
C81 C79 C80 F2 86.6(7) . . . . ?
C81 C79 C80 F2A 150.3(11) . . . . ?
C81 C79 C80 F3A 31.7(15) . . . . ?
C81 C79 C80 F1A -91.8(16) . . . . ?
C24 P2 C25 C30 73.2(2) . . . . ?
C24 P2 C25 C26 -103.6(2) . . . . ?
C24 P2 C31 C36 177.8(2) . . . . ?
C24 P2 C31 C32 -8.4(3) . . . . ?
C24 C19 C20 C21 1.5(5) . . . . ?
C24 C23 C22 C21 -0.1(5) . . . . ?
C17 C18 C13 P1 168.5(2) . . . . ?
C17 C18 C13 C14 -3.7(4) . . . . ?
C17 C16 C15 C14 -1.3(5) . . . . ?
C13 P1 C6 C1 -95.0(2) . . . . ?
C13 P1 C6 C5 81.3(2) . . . . ?
C13 P1 C7 C8 -12.3(2) . . . . ?
C13 P1 C7 C12 174.2(2) . . . . ?
C13 C18 C17 C16 3.8(4) . . . . ?
C54 C55 C57 C50 0.5(4) . . . . ?
C54 C55 C56 F18 148.4(3) . . . . ?
C54 C55 C56 F17 -91.1(3) . . . . ?
C54 C55 C56 F16 27.2(4) . . . . ?
C54 C52 C53 F15 110.4(4) . . . . ?
C54 C52 C53 F14 -136.0(3) . . . . ?
C54 C52 C53 F13 -14.0(6) . . . . ?
C1 C6 C5 C4 -2.6(4) . . . . ?
C1 C6 C5 C47 173.8(3) . . . . ?
C1 C2 C3 C4 -0.3(6) . . . . ?
C4 C5 C47 C49 -39.9(4) . . . . ?
C4 C5 C47 C48 83.7(4) . . . . ?
C19 O2 C18 C17 45.1(4) . . . . ?
C19 O2 C18 C13 -140.0(2) . . . . ?
C19 C24 C23 C22 2.4(4) . . . . ?
C23 C24 C19 O2 -178.5(2) . . . . ?
C23 C24 C19 C20 -3.2(4) . . . . ?
C30 C25 C26 C27 1.9(5) . . . . ?
C30 C29 C28 C27 1.3(6) . . . . ?
C5 C6 C1 C2 2.0(4) . . . . ?
C5 C4 C3 C2 -0.4(6) . . . . ?
C60 C59 C58 C65 2.3(4) . . . . ?
C60 C59 C58 B1 176.3(3) . . . . ?
C60 C62 C63 C65 1.6(6) . . . . ?
C60 C62 C63 C64 -179.3(4) . . . . ?
C7 P1 C6 C1 14.8(2) . . . . ?
C7 P1 C6 C5 -168.9(2) . . . . ?
C7 P1 C13 C18 110.2(2) . . . . ?
C7 P1 C13 C14 -78.2(2) . . . . ?
C7 C8 C9 C10 -0.4(5) . . . . ?
C7 C12 C44 C46 121.5(3) . . . . ?
C7 C12 C44 C45 -114.9(3) . . . . ?
C41 C36 C31 P2 -3.4(4) . . . . ?
C41 C36 C31 C32 -177.0(3) . . . . ?
C41 C36 C35 C34 178.6(4) . . . . ?
C70 C68 C69 F24 -155.6(3) . . . . ?
C70 C68 C69 F22 85.6(3) . . . . ?
C70 C68 C69 F23 -34.4(4) . . . . ?
C70 C71 C72 F19 133.1(3) . . . . ?
C70 C71 C72 F20 16.6(5) . . . . ?
C70 C71 C72 F21 -108.1(4) . . . . ?
C3 C4 C5 C6 1.8(5) . . . . ?
C3 C4 C5 C47 -174.7(3) . . . . ?
C79 C78 C76 C75 -2.0(4) . . . . ?
C79 C78 C76 C77 178.9(3) . . . . ?
C8 C7 C12 C11 1.4(4) . . . . ?
C8 C7 C12 C44 -177.6(3) . . . . ?
C8 C9 C10 C11 0.5(6) . . . . ?
C16 C15 C14 C13 1.5(5) . . . . ?
C62 C60 C61 F9 -162.0(4) . . . . ?
C62 C60 C61 F8 -42.0(5) . . . . ?
C62 C60 C61 F7 69.5(5) . . . . ?
C62 C63 C64 F11 131.3(4) . . . . ?
C62 C63 C64 F10 -117.3(5) . . . . ?
C62 C63 C64 F12 6.6(8) . . . . ?
C26 C25 C30 C29 -1.4(4) . . . . ?
C26 C25 C30 C38 176.9(3) . . . . ?
C69 C68 C70 C71 -177.8(3) . . . . ?
C29 C30 C38 C40 63.9(4) . . . . ?
C29 C30 C38 C39 -59.8(4) . . . . ?
C29 C28 C27 C26 -0.9(6) . . . . ?
C65 C58 B1 C66 84.6(3) . . . . ?
C65 C58 B1 C50 -35.8(3) . . . . ?
C65 C58 B1 C74 -156.0(2) . . . . ?
C65 C63 C64 F11 -49.7(6) . . . . ?
C65 C63 C64 F10 61.7(6) . . . . ?
C65 C63 C64 F12 -174.3(5) . . . . ?
C56 C55 C57 C50 -179.1(3) . . . . ?
C56 C55 C54 C52 178.5(3) . . . . ?
C11 C12 C44 C46 -57.5(4) . . . . ?
C11 C12 C44 C45 66.1(4) . . . . ?
C20 C21 C22 C23 -1.7(5) . . . . ?
C22 C21 C20 C19 1.0(5) . . . . ?
C36 C31 C32 C33 -2.4(6) . . . . ?
C12 C7 C8 C9 -0.6(4) . . . . ?
C12 C11 C10 C9 0.4(6) . . . . ?
C31 P2 C25 C30 -173.1(2) . . . . ?
C31 P2 C25 C26 10.1(3) . . . . ?
C31 P2 C24 C19 96.4(2) . . . . ?
C31 P2 C24 C23 -94.7(3) . . . . ?
C31 C36 C35 C34 -1.2(6) . . . . ?
C31 C32 C33 C34 0.4(7) . . . . ?
C38 C30 C29 C28 -178.5(3) . . . . ?
C72 C71 C70 C68 178.5(3) . . . . ?
B1 C66 C67 C68 -174.8(2) . . . . ?
B1 C66 C73 C71 174.5(2) . . . . ?
B1 C50 C51 C52 179.9(3) . . . . ?
B1 C50 C57 C55 179.1(2) . . . . ?
B1 C74 C75 C76 -176.2(2) . . . . ?
B1 C74 C81 C79 175.9(2) . . . . ?
B1 C58 C65 C63 -176.3(3) . . . . ?
C10 C11 C12 C7 -1.4(5) . . . . ?
C10 C11 C12 C44 177.8(3) . . . . ?
C42 C41 C36 C31 115.6(3) . . . . ?
C42 C41 C36 C35 -64.1(4) . . . . ?
C61 C60 C62 C63 -179.6(4) . . . . ?
C43 C41 C36 C31 -121.4(3) . . . . ?
C43 C41 C36 C35 58.9(4) . . . . ?
C33 C34 C35 C36 -0.8(8) . . . . ?
C35 C36 C31 P2 176.3(3) . . . . ?
C35 C36 C31 C32 2.7(5) . . . . ?
C35 C34 C33 C32 1.2(8) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.296
_oxdiff_exptl_absorpt_empirical_full_min 0.836

loop_
_publcif_info_exptl_table_extra_item
sin_theta_over_lambda_max

loop_
_publcif_info_exptl_table_header_item
?



_publcif_funding_html            
;
;
####################################################################### 
# 
# 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-H
_database_code_depnum_ccdc_archive 'CCDC 2064125'
loop_
_audit_author_name
_audit_author_address
'Timothy M. Boyd'
;University of Oxford
United Kingdom
;

_audit_update_record             
;
2021-02-21 deposited with the CCDC.	2021-05-25 downloaded from the CCDC.
;
_publcif_datablock.id            {39b0f53f-91fb-4cd8-8c62-c882b5346b9e}
_audit_creation_date             2020-09-21
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C43 H36 O P2 Rh, C32 H12 B F24, C5 H12, 0.5(C6 H4 F2)'
_chemical_formula_sum            'C83 H62 B F25 O P2 Rh'
_chemical_formula_weight         1725.98
_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'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.4274(2)
_cell_length_b                   13.6083(2)
_cell_length_c                   21.8679(3)
_cell_angle_alpha                106.3620(10)
_cell_angle_beta                 96.9450(10)
_cell_angle_gamma                91.2350(10)
_cell_volume                     3799.34(10)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    37825
_cell_measurement_temperature    110.00(10)
_cell_measurement_theta_max      71.1150
_cell_measurement_theta_min      4.4680
_shelx_estimated_absorpt_T_max   0.969
_shelx_estimated_absorpt_T_min   0.742
_exptl_absorpt_coefficient_mu    3.177
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.69668
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.81a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.509
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1746
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.01
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0403
_diffrn_reflns_av_unetI/netI     0.0243
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            76451
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         71.234
_diffrn_reflns_theta_min         3.391
_diffrn_ambient_temperature      110.00(10)
_diffrn_detector_area_resol_mean 16.1450
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -10.00  28.00   1.00    5.51    --    0.00 -77.00-120.00   38
  2  ω      7.00  40.00   1.00    5.51    --    0.00  77.00  90.00   33
  3  ω    -13.00  30.00   1.00    5.51    --    0.00 -77.00-180.00   43
  4  ω    -20.00  49.00   1.00    5.51    --    0.00  57.00  30.00   69
  5  ω      7.00  33.00   1.00   22.05    --   54.00 -99.00  30.00   26
  6  ω     56.00 103.00   1.00   22.05    --   54.00  57.00 -60.00   47
  7  ω      8.00  75.00   1.00   22.05    --   54.00 -99.00   0.00   67
  8  ω     -6.00  61.00   1.00   22.05    --   54.00 -57.00  30.00   67
  9  ω    -16.00  96.00   1.00   22.05    --   54.00 -19.00 150.00  112
 10  ω     37.00 120.00   1.00   22.05    --   54.00  57.00 150.00   83
 11  ω     64.00  96.00   1.00   22.05    --   54.00 -99.00  30.00   32
 12  ω     23.00  95.00   1.00   22.05    --   54.00 -99.00-150.00   72
 13  ω     37.00 109.00   1.00   40.00    --  108.00-111.00-180.00   72
 14  ω     39.00  65.00   1.00   40.00    --  108.00-111.00 -90.00   26
 15  ω    136.00 172.00   1.00   40.00    --  108.00  77.00  30.00   36
 16  ω    110.00 155.00   1.00   40.00    --  108.00  77.00 -90.00   45
 17  ω     64.00 109.00   1.00   40.00    --  108.00-111.00  60.00   45
 18  ω     83.00 176.00   1.00   40.00    --  108.00  25.00  60.00   93
 19  ω     38.00  79.00   1.00   40.00    --  108.00 -91.00-150.00   41
 20  ω    103.00 178.00   1.00   40.00    --  108.00  77.00 -60.00   75
 21  ω     56.00  99.00   1.00   40.00    --  108.00 -91.00  90.00   43
 22  ω     70.00 117.00   1.00   40.00    --  108.00 178.00-180.00   47
 23  ω    143.00 175.00   1.00   40.00    --  108.00  50.00   0.00   32
 24  ω    121.00 159.00   1.00   40.00    --  108.00  77.00 -30.00   38
 25  ω     88.00 122.00   1.00   40.00    --  108.00  50.00   0.00   34
 26  ω     63.00 102.00   1.00   40.00    --  108.00-111.00   0.00   39
 27  ω     60.00 129.00   1.00   40.00    --  108.00 -63.00-150.00   69
 28  ω     74.00 109.00   1.00   40.00    --  108.00-111.00 -90.00   35
 29  ω    105.00 161.00   1.00   40.00    --  108.00 111.00-120.00   56
 30  ω     38.00 130.00   1.00   40.00    --  108.00 -50.00 -60.00   92
 31  ω     86.00 128.00   1.00   40.00    --  108.00  50.00 -60.00   42
 32  ω     -9.00  21.00   1.00    5.51    --    0.00 -37.00 -30.00   30
 33  ω    -24.00  42.00   1.00    5.51    --    0.00  37.00   0.00   66
 34  ω    -30.00  36.00   1.00    5.51    --    0.00  77.00 -60.00   66
 35  ω    -71.00 -12.00   1.00    5.51    --    0.00 -37.00 -30.00   59
 36  ω    -22.00   3.00   1.00    5.51    --   20.00  99.00 125.31   25
 37  ω    -47.00 -20.00   1.00   22.05    --   28.00 153.00  53.09   27
 38  ω      4.00  29.00   1.00   22.05    --   40.00  88.00 108.07   25
 39  ω      4.00  29.00   1.00   22.05    --   40.00  88.00 -75.33   25
 40  ω     16.00  41.00   1.00   22.05    --   48.00  80.00 167.59   25
 41  ω     16.00  41.00   1.00   22.05    --   48.00  80.00  44.37   25
 42  ω     16.00  41.00   1.00   22.05    --   48.00  81.00 118.62   25
 43  ω     15.00  40.00   1.00   22.05    --   48.00  82.00-154.81   25
 44  ω     16.00  42.00   1.00   22.05    --   48.00  80.00-101.85   26
 45  ω     16.00  41.00   1.00   22.05    --   48.00  81.00  13.62   25
 46  ω     15.00  40.00   1.00   22.05    --   48.00  82.00  74.26   25
 47  ω     16.00  41.00   1.00   22.05    --   48.00  81.00 -21.07   25
 48  ω     -7.00  75.00   1.00   22.05    --   54.00 -57.00  90.00   82
 49  ω     28.00  56.00   1.00   22.05    --   56.00  73.00 154.71   28
 50  ω     28.00  54.00   1.00   22.05    --   56.00  74.00-108.51   26
 51  ω     32.00  59.00   1.00   22.05    --   60.00  73.00  40.65   27
 52  ω     34.00  60.00   1.00   22.05    --   60.00  72.00-172.87   26
 53  ω     33.00  58.00   1.00   22.05    --   60.00  74.00  77.06   25
 54  ω     37.00  64.00   1.00   22.05    --   64.00  71.00 -75.61   27
 55  ω     36.00  61.00   1.00   22.05    --   64.00  74.00  -8.62   25
 56  ω     36.00  62.00   1.00   22.05    --   64.00  73.00 -62.49   26
 57  ω     37.00  64.00   1.00   22.05    --   64.00  72.00-161.88   27
 58  ω     37.00  65.00   1.00   22.05    --   64.00  73.00  21.75   28
 59  ω     36.00  62.00   1.00   22.05    --   64.00  74.00 112.62   26
 60  ω    100.00 126.00   1.00   22.05    --   68.00  74.00 140.36   26
 61  ω     40.00  67.00   1.00   22.05    --   68.00  74.00 140.36   27
 62  ω    107.00 133.00   1.00   22.05    --   68.00  70.00  59.97   26
 63  ω     40.00  91.00   1.00   22.05    --   68.00  74.00-140.72   51
 64  ω     42.00  68.00   1.00   22.05    --   68.00  70.00  59.97   26
 65  ω     41.00  68.00   1.00   22.05    --   68.00  72.00 -48.35   27
 66  ω    117.00 142.00   1.00   22.05    --   72.00  74.00  85.63   25
 67  ω     44.00  70.00   1.00   22.05    --   72.00  74.00  85.63   26
 68  ω     44.00  73.00   1.00   22.05    --   72.00  73.00-123.49   29
 69  ω     49.00  93.00   1.00   22.05    --   76.00  71.00 -20.24   44
 70  ω     49.00  79.00   1.00   22.05    --   76.00  74.00  13.36   30
 71  ω     54.00  80.00   1.00   22.05    --   76.00  64.00  59.51   26
 72  ω     48.00  97.00   1.00   22.05    --   76.00  73.00  -4.37   49
 73  ω     48.00  84.00   1.00   22.05    --   76.00  74.00-107.62   36
 74  ω     53.00  80.00   1.00   22.05    --   76.00  64.00 -33.99   27
 75  ω     54.00  81.00   1.00   22.05    --   80.00  73.00 165.56   27
 76  ω     53.00 108.00   1.00   22.05    --   80.00  71.00-157.57   55
 77  ω     54.00  80.00   1.00   22.05    --   80.00  70.00 149.60   26
 78  ω     55.00  81.00   1.00   22.05    --   80.00  69.00 -66.36   26
 79  ω     56.00  83.00   1.00   40.00    --   84.00  74.00 116.77   27
 80  ω    100.00 151.00   1.00   40.00    --   84.00  73.00  88.41   51
 81  ω     56.00  82.00   1.00   40.00    --   84.00  73.00  88.41   26
 82  ω     57.00  84.00   1.00   40.00    --   84.00  73.00  11.04   27
 83  ω     56.00  82.00   1.00   40.00    --   84.00  74.00 153.65   26
 84  ω     57.00  83.00   1.00   40.00    --   84.00  74.00-133.62   26
 85  ω     60.00 112.00   1.00   40.00    --   88.00  74.00 178.46   52
 86  ω     62.00  88.00   1.00   40.00    --   88.00  70.00 105.65   26
 87  ω     66.00 105.00   1.00   40.00    --   88.00  62.00 -90.90   39
 88  ω     65.00  90.00   1.00   40.00    --   88.00  64.00 -55.81   25
 89  ω     67.00  93.00   1.00   40.00    --   92.00  69.00  34.08   26
 90  ω     64.00  90.00   1.00   40.00    --   92.00  74.00 151.89   26
 91  ω     64.00 107.00   1.00   40.00    --   92.00  74.00 -59.21   43
 92  ω     75.00 104.00   1.00   40.00    --   96.00  57.00 102.69   29
 93  ω     68.00  94.00   1.00   40.00    --   96.00  74.00  38.75   26
 94  ω     71.00 101.00   1.00   40.00    --   96.00  70.00 -92.06   30
 95  ω     68.00 110.00   1.00   40.00    --   96.00  74.00-134.25   42
 96  ω     68.00 107.00   1.00   40.00    --   96.00  73.00 -32.98   39
 97  ω     72.00  98.00   1.00   40.00    --  100.00  74.00 158.92   26
 98  ω     72.00 104.00   1.00   40.00    --  100.00  73.00 -18.11   32
 99  ω    120.00 147.00   1.00   40.00    --  108.00  63.00 120.00   27
100  ω     86.00 112.00   1.00   40.00    --  108.00  63.00 120.00   26
101  ω    118.00 170.00   1.00   40.00    --  108.00  63.00-180.00   52
102  ω     86.00 115.00   1.00   40.00    --  108.00  63.00-180.00   29
103  ω    118.00 176.00   1.00   40.00    --  108.00  63.00  90.00   58
104  ω     87.00 113.00   1.00   40.00    --  108.00  63.00  90.00   26
105  ω     84.00 133.00   1.00   40.00    --  108.00  69.00-116.27   49
106  ω    148.00 174.00   1.00   40.00    --  108.00  69.00  56.84   26
107  ω     83.00 109.00   1.00   40.00    --  108.00  69.00  56.84   26
108  ω     87.00 124.00   1.00   40.00    --  108.00  63.00-120.00   37
109  ω     86.00 157.00   1.00   40.00    --  108.00  63.00-150.00   71
110  ω     86.00 113.00   1.00   40.00    --  108.00  50.00-150.00   27
111  ω     87.00 115.00   1.00   40.00    --  108.00  63.00 -60.00   28
112  ω     86.00 176.00   1.00   40.00    --  108.00  50.00 150.00   90
113  ω     88.00 115.00   1.00   40.00    --  108.00  63.00   0.00   27
114  ω     87.00 112.00   1.00   40.00    --  108.00  50.00 120.00   25
115  ω     88.00 119.00   1.00   40.00    --  108.00  63.00 -90.00   31
116  ω     86.00 113.00   1.00   40.00    --  108.00  50.00  30.00   27
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                13650
_reflns_number_total             14513
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.81a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.81a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.81a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         1.306
_refine_diff_density_min         -0.883
_refine_diff_density_rms         0.079
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1193
_refine_ls_number_reflns         14513
_refine_ls_number_restraints     406
_refine_ls_R_factor_all          0.0451
_refine_ls_R_factor_gt           0.0428
_refine_ls_restrained_S_all      1.087
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0658P)²+5.6738P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1139
_refine_ls_wR_factor_ref         0.1162
_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
2. Restrained distances
 C86B-C85B = C86B-C81B = C85B-C84B
 1.39 with sigma of 0.02
 C86B-F26B = C85B-F25B
 1.35 with sigma of 0.02
 C84B-C83B = C83B-C82B = C82B-C81B
 1.4 with sigma of 0.02
 C86A-C85A = C86A-C81A = C85A-C84A
 1.39 with sigma of 0.02
 C86A-F25A = C85A-F26A
 1.35 with sigma of 0.02
 C84A-C83A = C83A-C82A = C82A-C81A
 1.4 with sigma of 0.02
 C86B-C82B = C85B-C83B
 2.4 with sigma of 0.04
 C86B-C84B = C84B-C82B = C83B-C81B
 2.42 with sigma of 0.04
 C86A-F26A
 2.37 with sigma of 0.04
 C86B-F25B
 2.37 with sigma of 0.04
 C86A-C84A = C84A-C82A = C83A-C81A
 2.42 with sigma of 0.04
 C86A-C82A = C85A-C83A
 2.4 with sigma of 0.04
 C83A-C81A \\sim C84A-C82A \\sim C85A-C83A \\sim C86A-C84A \\sim C85A-C81A
\\sim C86A-C82A
 with sigma of 0.04
 C86B-F26B \\sim C85B-F25B
 with sigma of 0.02
 C86B-C81B \\sim C82B-C81B \\sim C86B-C85B \\sim C83B-C82B \\sim C84B-C83B
\\sim C85B-C84B
 with sigma of 0.02
 C86B-F25B \\sim C84B-F25B \\sim C85B-F26B \\sim C81B-F26B
 with sigma of 0.04
 C83B-C81B \\sim C84B-C82B \\sim C85B-C83B \\sim C86B-C84B \\sim C85B-C81B
\\sim C86B-C82B
 with sigma of 0.04
 C86A-F25A \\sim C85A-F26A
 with sigma of 0.02
 C86A-C81A \\sim C82A-C81A \\sim C86A-C85A \\sim C83A-C82A \\sim C84A-C83A
\\sim C85A-C84A
 with sigma of 0.02
 C86A-F26A \\sim C84A-F26A \\sim C85A-F25A \\sim C81A-F25A
 with sigma of 0.04
3. Restrained planarity
 C86B, C85B, C84B, C83B, C82B, C81B, F26B, F25B
 with sigma of 0.1
 C86A, C85A, C84A, C83A, C82A, C81A, F25A, F26A
 with sigma of 0.1
4. Uiso/Uaniso restraints and constraints
C86B \\sim C85B \\sim C84B \\sim C83B \\sim C82B \\sim C81B \\sim F26B \\sim
F25B: within 2A with sigma of 0.04 and sigma for terminal atoms of 0.08 within
2A
C86A \\sim C85A \\sim C84A \\sim C83A \\sim C82A \\sim C81A \\sim F25A \\sim
F26A: within 2A with sigma of 0.04 and sigma for terminal atoms of 0.08 within
2A
Uanis(F15) \\sim Ueq, Uanis(F13) \\sim Ueq, Uanis(F14) \\sim Ueq, Uanis(C58)
\\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(F22A) \\sim Ueq, Uanis(C71) \\sim Ueq, Uanis(F24A) \\sim Ueq, Uanis(F23A)
\\sim Ueq, Uanis(F23B) \\sim Ueq, Uanis(F24B) \\sim Ueq, Uanis(F22B) \\sim Ueq:
with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(F1) \\sim Ueq, Uanis(F2) \\sim Ueq, Uanis(F3) \\sim Ueq, Uanis(C50) \\sim
Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
5. Rigid body (RIGU) restrains
 C86B, C85B, C84B, C83B, C82B, C81B, F26B, F25B
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C86A, C85A, C84A, C83A, C82A, C81A, F25A, F26A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
6. Others
 Sof(C74B)=Sof(F19B)=Sof(F20B)=Sof(F21B)=1-FVAR(1)
 Sof(F20A)=Sof(F21A)=Sof(F19A)=Sof(C74A)=FVAR(1)
 Sof(F23B)=Sof(F24B)=Sof(F22B)=1-FVAR(2)
 Sof(F22A)=Sof(F24A)=Sof(F23A)=FVAR(2)
 Fixed Sof: C86B(0.25) C85B(0.25) C84B(0.25) H84B(0.25) C83B(0.25) H83B(0.25)
 C82B(0.25) H82B(0.25) C81B(0.25) H81B(0.25) F26B(0.25) F25B(0.25) C86A(0.25)
 C85A(0.25) C84A(0.25) H84A(0.25) C83A(0.25) H83A(0.25) C82A(0.25) H82A(0.25)
 C81A(0.25) H81A(0.25) F25A(0.25) F26A(0.25)
7.a Ternary CH refined with riding coordinates:
 C38(H38), C37(H37), C42(H42), C41(H41), C39(H39), C40(H40)
7.b Secondary CH2 refined with riding coordinates:
 C43(H43a,H43b), C79(H79a,H79b), C77(H77a,H77b), C78(H78a,H78b)
7.c Aromatic/amide H refined with riding coordinates:
 C5(H5), C69(H69), C64(H64), C59(H59), C53(H53), C45(H45), C51(H51), C67(H67),
 C26(H26), C72(H72), C61(H61), C17(H17), C4(H4), C1(H1), C23(H23), C8(H8),
 C2(H2), C27(H27), C20(H20), C48(H48), C12(H12), C75(H75), C30(H30), C14(H14),
 C36(H36), C21(H21), C3(H3), C9(H9), C15(H15), C10(H10), C56(H56), C16(H16),
 C32(H32), C22(H22), C35(H35), C11(H11), C28(H28), C34(H34), C29(H29), C33(H33),
  C84B(H84B), C83B(H83B), C82B(H82B), C81B(H81B), C84A(H84A), C83A(H83A),
 C82A(H82A), C81A(H81A)
7.d Idealised Me refined as rotating group:
 C80(H80a,H80b,H80c), C76(H76a,H76b,H76c)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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
Rh1 Rh 0.90780(2) 1.09159(2) 0.26179(2) 0.01688(7) Uani 1 1 d . . . . .
P1 P 0.93748(4) 1.03835(5) 0.35485(3) 0.01673(13) Uani 1 1 d . . . . .
P2 P 1.01748(5) 0.98654(5) 0.20058(3) 0.01891(13) Uani 1 1 d . . . . .
F11 F 0.84381(12) 0.47833(14) 0.40130(9) 0.0349(4) Uani 1 1 d . . . . .
F12 F 0.75750(13) 0.59021(12) 0.45886(8) 0.0308(4) Uani 1 1 d . . . . .
O1 O 0.97117(13) 0.83876(14) 0.25886(9) 0.0225(4) Uani 1 1 d . . . . .
F6 F 0.88062(13) 0.48404(16) 0.18665(10) 0.0427(5) Uani 1 1 d . . . . .
F10 F 0.77018(15) 0.44231(15) 0.47499(9) 0.0420(5) Uani 1 1 d . . . . .
F8 F 0.39611(14) 0.21292(16) 0.31159(14) 0.0589(7) Uani 1 1 d . . . . .
F17 F 0.2199(2) 0.5222(2) 0.04935(10) 0.0651(7) Uani 1 1 d . . . . .
F20A F 0.5883(9) 0.8229(9) 0.1392(5) 0.051(2) Uani 0.723(7) 1 d . . P A 1
F9 F 0.5219(2) 0.17199(19) 0.36409(14) 0.0865(11) Uani 1 1 d . . . . .
F4 F 0.84955(16) 0.60709(19) 0.14867(14) 0.0647(7) Uani 1 1 d . . . . .
F18 F 0.2010(2) 0.66949(18) 0.10562(12) 0.0700(7) Uani 1 1 d . . . . .
C24 C 1.11223(19) 0.9140(2) 0.23328(12) 0.0208(5) Uani 1 1 d . . . . .
F3 F 0.5466(3) 0.3589(3) -0.04846(11) 0.0962(12) Uani 1 1 d . U . . .
C44 C 0.56351(19) 0.48818(19) 0.17670(12) 0.0192(5) Uani 1 1 d . . . . .
C18 C 0.92956(19) 0.8227(2) 0.31050(13) 0.0219(5) Uani 1 1 d . . . . .
F5 F 0.87304(16) 0.4615(3) 0.08533(12) 0.0943(12) Uani 1 1 d . . . . .
F15 F 0.1773(3) 0.5451(2) 0.36210(14) 0.0979(12) Uani 1 1 d . U . . .
F13 F 0.1770(3) 0.3909(2) 0.31786(15) 0.0876(10) Uani 1 1 d . U . . .
C5 C 1.1297(2) 1.0026(2) 0.41162(12) 0.0218(5) Uani 1 1 d . . . . .
H5 H 1.100435 0.944835 0.418641 0.026 Uiso 1 1 calc R U . . .
C69 C 0.52038(19) 0.7147(2) 0.33011(12) 0.0215(5) Uani 1 1 d . . . . .
H69 H 0.505335 0.679837 0.359150 0.026 Uiso 1 1 calc R U . . .
F7 F 0.5141(2) 0.14431(17) 0.26460(14) 0.0817(10) Uani 1 1 d . . . . .
F21A F 0.6447(3) 0.9545(3) 0.21677(15) 0.0496(11) Uani 0.723(7) 1 d . . P A 1
F19A F 0.4871(3) 0.9308(2) 0.18467(16) 0.0568(11) Uani 0.723(7) 1 d . . P A 1
C19 C 1.07516(19) 0.8442(2) 0.26194(12) 0.0207(5) Uani 1 1 d . . . . .
C64 C 0.62459(19) 0.3531(2) 0.37437(12) 0.0205(5) Uani 1 1 d . . . . .
H64 H 0.648540 0.314847 0.401609 0.025 Uiso 1 1 calc R U . . .
C38 C 0.76284(19) 1.1581(2) 0.27423(13) 0.0220(5) Uani 1 1 d . . . . .
H38 H 0.711694 1.130750 0.294428 0.026 Uiso 1 1 calc R U . . .
C59 C 0.32264(19) 0.50064(19) 0.26837(13) 0.0207(5) Uani 1 1 d . . . . .
H59 H 0.352744 0.485555 0.304996 0.025 Uiso 1 1 calc R U . . .
C25 C 1.0885(2) 1.0653(2) 0.16417(13) 0.0226(5) Uani 1 1 d . . . . .
C65 C 0.66755(18) 0.4494(2) 0.38065(12) 0.0200(5) Uani 1 1 d . . . . .
C53 C 0.33301(19) 0.54799(19) 0.17292(13) 0.0216(5) Uani 1 1 d . . . . .
H53 H 0.370373 0.566772 0.144437 0.026 Uiso 1 1 calc R U . . .
C6 C 1.07070(18) 1.06569(19) 0.38363(11) 0.0178(5) Uani 1 1 d . . . . .
F16 F 0.08505(18) 0.5527(4) 0.09059(18) 0.1173(16) Uani 1 1 d . . . . .
C37 C 0.8360(2) 1.23315(19) 0.30864(13) 0.0227(5) Uani 1 1 d . . . . .
H37 H 0.842132 1.262860 0.355378 0.027 Uiso 1 1 calc R U . . .
C45 C 0.66698(19) 0.5110(2) 0.18075(13) 0.0224(5) Uani 1 1 d . . . . .
H45 H 0.701572 0.549749 0.219869 0.027 Uiso 1 1 calc R U . . .
C51 C 0.5167(2) 0.4280(2) 0.11688(13) 0.0218(5) Uani 1 1 d . . . . .
H51 H 0.448836 0.408111 0.112264 0.026 Uiso 1 1 calc R U . . .
C67 C 0.63005(18) 0.50808(19) 0.34094(12) 0.0184(5) Uani 1 1 d . . . . .
H67 H 0.659595 0.573185 0.347133 0.022 Uiso 1 1 calc R U . . .
F14 F 0.06176(18) 0.4759(4) 0.29017(18) 0.1259(16) Uani 1 1 d . U . . .
C70 C 0.53093(19) 0.8217(2) 0.35034(13) 0.0233(5) Uani 1 1 d . . . . .
C13 C 0.90905(18) 0.9078(2) 0.35923(13) 0.0201(5) Uani 1 1 d . . . . .
C54 C 0.2285(2) 0.5452(2) 0.16130(14) 0.0261(6) Uani 1 1 d . . . . .
C26 C 1.1609(2) 1.1389(2) 0.20316(14) 0.0270(6) Uani 1 1 d . . . . .
H26 H 1.178472 1.140913 0.245970 0.032 Uiso 1 1 calc R U . . .
C60 C 0.54929(18) 0.47194(19) 0.29204(12) 0.0182(5) Uani 1 1 d . . . . .
C52 C 0.38385(19) 0.52338(18) 0.22623(12) 0.0191(5) Uani 1 1 d . . . . .
C72 C 0.5523(2) 0.8767(2) 0.30867(14) 0.0275(6) Uani 1 1 d . . . . .
H72 H 0.559568 0.948008 0.322217 0.033 Uiso 1 1 calc R U . . .
C62 C 0.54458(19) 0.31547(19) 0.32612(12) 0.0200(5) Uani 1 1 d . . . . .
C7 C 0.87598(19) 1.1153(2) 0.42108(12) 0.0202(5) Uani 1 1 d . . . . .
C61 C 0.50912(18) 0.37311(19) 0.28542(12) 0.0187(5) Uani 1 1 d . . . . .
H61 H 0.456867 0.344913 0.252647 0.022 Uiso 1 1 calc R U . . .
C17 C 0.9058(2) 0.7233(2) 0.31080(15) 0.0307(6) Uani 1 1 d . . . . .
H17 H 0.919537 0.668013 0.277316 0.037 Uiso 1 1 calc R U . . .
C4 C 1.2320(2) 1.0263(2) 0.42894(14) 0.0280(6) Uani 1 1 d . . . . .
H4 H 1.271437 0.983628 0.446916 0.034 Uiso 1 1 calc R U . . .
C1 C 1.1152(2) 1.1539(2) 0.37509(13) 0.0228(5) Uani 1 1 d . . . . .
H1 H 1.076127 1.196605 0.356882 0.027 Uiso 1 1 calc R U . . .
C63 C 0.4941(2) 0.2122(2) 0.31691(14) 0.0250(6) Uani 1 1 d . . . . .
C31 C 0.9508(2) 0.8856(2) 0.13340(13) 0.0249(6) Uani 1 1 d . . . . .
C23 C 1.2150(2) 0.9204(2) 0.23048(14) 0.0281(6) Uani 1 1 d . . . . .
H23 H 1.241589 0.966037 0.211235 0.034 Uiso 1 1 calc R U . . .
C8 C 0.9298(2) 1.1850(2) 0.47475(13) 0.0247(5) Uani 1 1 d . . . . .
H8 H 0.999326 1.193266 0.477762 0.030 Uiso 1 1 calc R U . . .
C57 C 0.2179(2) 0.4998(2) 0.25751(14) 0.0241(5) Uani 1 1 d . . . . .
C58 C 0.1577(2) 0.4771(2) 0.30570(15) 0.0298(6) Uani 1 1 d . U . . .
C73 C 0.5625(2) 0.8221(2) 0.24591(15) 0.0309(6) Uani 1 1 d . . . . .
C2 C 1.2171(2) 1.1779(2) 0.39359(14) 0.0281(6) Uani 1 1 d . . . . .
H2 H 1.246108 1.237360 0.388560 0.034 Uiso 1 1 calc R U . . .
C27 C 1.2067(2) 1.2089(2) 0.17871(16) 0.0341(7) Uani 1 1 d . . . . .
H27 H 1.255693 1.256888 0.204817 0.041 Uiso 1 1 calc R U . . .
C20 C 1.1374(2) 0.7828(2) 0.28852(13) 0.0258(6) Uani 1 1 d . . . . .
H20 H 1.111114 0.737029 0.307814 0.031 Uiso 1 1 calc R U . . .
C43 C 0.7566(2) 1.2893(2) 0.22240(15) 0.0295(6) Uani 1 1 d . . . . .
H43A H 0.706725 1.325132 0.247578 0.035 Uiso 1 1 calc R U . . .
H43B H 0.759518 1.312708 0.184611 0.035 Uiso 1 1 calc R U . . .
C48 C 0.6706(2) 0.4210(2) 0.06903(14) 0.0273(6) Uani 1 1 d . . . . .
H48 H 0.705108 0.399840 0.033620 0.033 Uiso 1 1 calc R U . . .
C12 C 0.7713(2) 1.1049(2) 0.41740(13) 0.0245(5) Uani 1 1 d . . . . .
H12 H 0.734291 1.059446 0.381471 0.029 Uiso 1 1 calc R U . . .
C42 C 0.8608(2) 1.2943(2) 0.26261(14) 0.0256(6) Uani 1 1 d . . . . .
H42 H 0.895304 1.362246 0.281843 0.031 Uiso 1 1 calc R U . . .
C75 C 0.5533(2) 0.7159(2) 0.22621(13) 0.0245(5) Uani 1 1 d . . . . .
H75 H 0.561611 0.681520 0.184071 0.029 Uiso 1 1 calc R U . . .
C30 C 1.0625(2) 1.0643(2) 0.10042(14) 0.0321(6) Uani 1 1 d . . . . .
H30 H 1.014693 1.015596 0.073782 0.039 Uiso 1 1 calc R U . . .
C14 C 0.8647(2) 0.8889(2) 0.41003(14) 0.0254(6) Uani 1 1 d . . . . .
H14 H 0.850900 0.943865 0.443676 0.031 Uiso 1 1 calc R U . . .
C36 C 0.8466(2) 0.8761(2) 0.12377(15) 0.0336(7) Uani 1 1 d . . . . .
H36 H 0.810120 0.923247 0.150539 0.040 Uiso 1 1 calc R U . . .
C21 C 1.2394(2) 0.7911(2) 0.28568(14) 0.0308(6) Uani 1 1 d . . . . .
H21 H 1.282256 0.750896 0.303646 0.037 Uiso 1 1 calc R U . . .
C68 C 0.53177(17) 0.65853(19) 0.26756(12) 0.0184(5) Uani 1 1 d . . . . .
C3 C 1.2760(2) 1.1132(2) 0.41969(14) 0.0311(6) Uani 1 1 d . . . . .
H3 H 1.344819 1.128152 0.430931 0.037 Uiso 1 1 calc R U . . .
C66 C 0.7586(2) 0.4897(2) 0.42919(13) 0.0250(6) Uani 1 1 d . . . . .
C9 C 0.8800(2) 1.2424(2) 0.52389(14) 0.0314(6) Uani 1 1 d . . . . .
H9 H 0.916527 1.288845 0.559585 0.038 Uiso 1 1 calc R U . . .
C15 C 0.8413(2) 0.7900(2) 0.41099(15) 0.0307(6) Uani 1 1 d . . . . .
H15 H 0.811918 0.778989 0.445053 0.037 Uiso 1 1 calc R U . . .
C41 C 0.9138(2) 1.2153(2) 0.21451(13) 0.0237(5) Uani 1 1 d . . . . .
H41 H 0.973632 1.232867 0.197225 0.028 Uiso 1 1 calc R U . . .
C10 C 0.7766(2) 1.2309(2) 0.52004(14) 0.0319(6) Uani 1 1 d . . . . .
H10 H 0.743707 1.269485 0.553060 0.038 Uiso 1 1 calc R U . . .
C56 C 0.1694(2) 0.5206(2) 0.20317(14) 0.0266(6) Uani 1 1 d . . . . .
H56 H 0.099602 0.518091 0.195164 0.032 Uiso 1 1 calc R U . . .
C16 C 0.8617(2) 0.7070(2) 0.36112(16) 0.0330(7) Uani 1 1 d . . . . .
H16 H 0.845509 0.640536 0.361674 0.040 Uiso 1 1 calc R U . . .
C39 C 0.7422(2) 1.1715(2) 0.20636(14) 0.0261(6) Uani 1 1 d . . . . .
H39 H 0.679702 1.138833 0.179748 0.031 Uiso 1 1 calc R U . . .
C55 C 0.1811(2) 0.5730(3) 0.10328(16) 0.0366(7) Uani 1 1 d . . . . .
F22A F 0.4989(5) 0.9777(3) 0.42451(19) 0.0635(16) Uani 0.650(9) 1 d . U P B 1
C46 C 0.7197(2) 0.4776(2) 0.12827(13) 0.0256(6) Uani 1 1 d . . . . .
C71 C 0.5175(2) 0.8789(2) 0.41771(14) 0.0324(6) Uani 1 1 d . U . . .
C32 C 1.0043(3) 0.8134(2) 0.09391(14) 0.0334(7) Uani 1 1 d . . . . .
H32 H 1.074210 0.818684 0.100173 0.040 Uiso 1 1 calc R U . . .
C22 C 1.2784(2) 0.8582(3) 0.25654(15) 0.0339(7) Uani 1 1 d . . . . .
H22 H 1.347008 0.862037 0.254240 0.041 Uiso 1 1 calc R U . . .
C35 C 0.7966(3) 0.7966(3) 0.07432(16) 0.0417(8) Uani 1 1 d . . . . .
H35 H 0.726697 0.791740 0.067283 0.050 Uiso 1 1 calc R U . . .
C11 C 0.7221(2) 1.1618(2) 0.46691(14) 0.0288(6) Uani 1 1 d . . . . .
H11 H 0.652627 1.153533 0.464364 0.035 Uiso 1 1 calc R U . . .
B1 B 0.5071(2) 0.5342(2) 0.24084(14) 0.0187(5) Uani 1 1 d . . . . .
C28 C 1.1797(3) 1.2076(3) 0.11547(17) 0.0438(8) Uani 1 1 d . . . . .
H28 H 1.210082 1.255008 0.099145 0.053 Uiso 1 1 calc R U . . .
C49 C 0.5689(2) 0.3969(2) 0.06385(13) 0.0262(6) Uani 1 1 d . . . . .
C47 C 0.8296(2) 0.5062(3) 0.13607(15) 0.0355(7) Uani 1 1 d . . . . .
C34 C 0.8499(3) 0.7249(3) 0.03567(15) 0.0444(9) Uani 1 1 d . . . . .
H34 H 0.816122 0.670755 0.003249 0.053 Uiso 1 1 calc R U . . .
C40 C 0.8417(2) 1.1400(2) 0.17946(13) 0.0240(5) Uani 1 1 d . . . . .
H40 H 0.844695 1.100482 0.134763 0.029 Uiso 1 1 calc R U . . .
F1 F 0.4195(2) 0.3521(4) -0.00687(15) 0.1291(17) Uani 1 1 d . U . . .
F24A F 0.4379(5) 0.8441(4) 0.4355(2) 0.073(2) Uani 0.650(9) 1 d . U P B 1
C29 C 1.1075(3) 1.1358(3) 0.07640(16) 0.0456(8) Uani 1 1 d . . . . .
H29 H 1.089158 1.135415 0.033941 0.055 Uiso 1 1 calc R U . . .
F2 F 0.5181(4) 0.2397(2) -0.01076(15) 0.1293(17) Uani 1 1 d . U . . .
C33 C 0.9534(3) 0.7332(2) 0.04497(15) 0.0436(9) Uani 1 1 d . . . . .
H33 H 0.989329 0.685101 0.018470 0.052 Uiso 1 1 calc R U . . .
C50 C 0.5143(2) 0.3365(2) -0.00014(15) 0.0351(7) Uani 1 1 d . U . . .
F23A F 0.5954(4) 0.8767(7) 0.45680(19) 0.101(3) Uani 0.650(9) 1 d . U P B 1
C74A C 0.5696(5) 0.8816(4) 0.1960(3) 0.0328(12) Uani 0.723(7) 1 d . . P A 1
C80 C 0.2058(4) -0.1563(4) -0.0118(2) 0.0674(12) Uani 1 1 d . . . . .
H80A H 0.184578 -0.197378 -0.055136 0.101 Uiso 1 1 calc R U . . .
H80B H 0.147931 -0.131579 0.008397 0.101 Uiso 1 1 calc R U . . .
H80C H 0.241962 -0.197102 0.011755 0.101 Uiso 1 1 calc R U . . .
C79 C 0.2726(4) -0.0672(4) -0.0124(2) 0.0688(12) Uani 1 1 d . . . . .
H79A H 0.317535 -0.091576 -0.044227 0.083 Uiso 1 1 calc R U . . .
H79B H 0.230909 -0.018220 -0.026397 0.083 Uiso 1 1 calc R U . . .
C77 C 0.3959(3) 0.0804(4) 0.0476(2) 0.0619(11) Uani 1 1 d . . . . .
H77A H 0.438472 0.059539 0.013949 0.074 Uiso 1 1 calc R U . . .
H77B H 0.350961 0.129429 0.036610 0.074 Uiso 1 1 calc R U . . .
C78 C 0.3347(3) -0.0118(3) 0.0497(2) 0.0587(10) Uani 1 1 d . . . . .
H78A H 0.379649 -0.059265 0.062673 0.070 Uiso 1 1 calc R U . . .
H78B H 0.290436 0.009817 0.082396 0.070 Uiso 1 1 calc R U . . .
C76 C 0.4601(4) 0.1316(4) 0.1093(3) 0.0792(15) Uani 1 1 d . . . . .
H76A H 0.501532 0.186022 0.103795 0.119 Uiso 1 1 calc R U . . .
H76B H 0.501918 0.082520 0.121987 0.119 Uiso 1 1 calc R U . . .
H76C H 0.418201 0.159297 0.141907 0.119 Uiso 1 1 calc R U . . .
C74B C 0.6200(14) 0.8788(10) 0.2141(7) 0.033(3) Uani 0.277(7) 1 d . . P A 2
F19B F 0.5774(12) 0.9664(7) 0.2196(5) 0.069(4) Uani 0.277(7) 1 d . . P A 2
F20B F 0.613(2) 0.827(3) 0.1536(13) 0.042(4) Uani 0.277(7) 1 d . . P A 2
F21B F 0.7183(6) 0.9050(7) 0.2327(4) 0.051(3) Uani 0.277(7) 1 d . . P A 2
F23B F 0.4377(8) 0.9276(11) 0.4228(4) 0.089(4) Uani 0.350(9) 1 d . U P B 2
F24B F 0.5906(8) 0.9452(7) 0.4488(3) 0.063(3) Uani 0.350(9) 1 d . U P B 2
F22B F 0.5103(9) 0.8202(5) 0.4586(3) 0.058(3) Uani 0.350(9) 1 d . U P B 2
C86B C 0.452(2) 0.5352(17) 0.4640(15) 0.035(6) Uani 0.25 1 d D U P C -1
C85B C 0.5358(19) 0.5810(14) 0.5080(14) 0.030(5) Uani 0.25 1 d D U P C -1
C84B C 0.586(3) 0.523(2) 0.5434(17) 0.036(6) Uani 0.25 1 d D U P C -1
H84B H 0.642305 0.552195 0.572637 0.043 Uiso 0.25 1 calc R U P C -1
C83B C 0.555(3) 0.423(2) 0.536(2) 0.039(6) Uani 0.25 1 d D U P C -1
H83B H 0.589047 0.385884 0.561298 0.047 Uiso 0.25 1 calc R U P C -1
C82B C 0.472(3) 0.376(2) 0.492(2) 0.043(6) Uani 0.25 1 d D U P C -1
H82B H 0.450557 0.308421 0.486746 0.051 Uiso 0.25 1 calc R U P C -1
C81B C 0.421(3) 0.435(2) 0.4573(19) 0.035(6) Uani 0.25 1 d D U P C -1
H81B H 0.364413 0.405664 0.428427 0.042 Uiso 0.25 1 calc R U P C -1
F26B F 0.401(3) 0.590(3) 0.429(2) 0.050(7) Uani 0.25 1 d D U P C -1
F25B F 0.5641(7) 0.6809(6) 0.5164(5) 0.054(2) Uani 0.25 1 d D U P C -1
C86A C 0.5665(19) 0.5513(19) 0.5370(13) 0.035(6) Uani 0.25 1 d D U P D -2
C85A C 0.535(2) 0.4507(19) 0.5303(14) 0.029(5) Uani 0.25 1 d D U P D -2
C84A C 0.455(2) 0.402(2) 0.4852(17) 0.040(7) Uani 0.25 1 d D U P D -2
H84A H 0.433482 0.334805 0.480860 0.048 Uiso 0.25 1 calc R U P D -2
C83A C 0.408(3) 0.457(3) 0.4467(19) 0.039(7) Uani 0.25 1 d D U P D -2
H83A H 0.355350 0.425551 0.415197 0.046 Uiso 0.25 1 calc R U P D -2
C82A C 0.438(3) 0.558(3) 0.454(2) 0.042(7) Uani 0.25 1 d D U P D -2
H82A H 0.402384 0.594161 0.428615 0.051 Uiso 0.25 1 calc R U P D -2
C81A C 0.519(3) 0.606(2) 0.4981(19) 0.041(7) Uani 0.25 1 d D U P D -2
H81A H 0.541645 0.672544 0.501753 0.049 Uiso 0.25 1 calc R U P D -2
F25A F 0.6447(8) 0.5947(8) 0.5820(5) 0.062(3) Uani 0.25 1 d D U P D -2
F26A F 0.585(3) 0.398(3) 0.5662(19) 0.043(5) Uani 0.25 1 d D U P D -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
Rh1 P1 2.3392(6) . ?
Rh1 P2 2.3440(6) . ?
Rh1 C38 2.179(2) . ?
Rh1 C37 2.213(2) . ?
Rh1 C41 2.215(3) . ?
Rh1 C40 2.184(2) . ?
P1 C6 1.817(2) . ?
P1 C13 1.840(3) . ?
P1 C7 1.830(3) . ?
P2 C24 1.826(3) . ?
P2 C25 1.820(3) . ?
P2 C31 1.827(3) . ?
F11 C66 1.352(3) . ?
F12 C66 1.340(3) . ?
O1 C18 1.386(3) . ?
O1 C19 1.389(3) . ?
F6 C47 1.341(4) . ?
F10 C66 1.332(3) . ?
F8 C63 1.308(3) . ?
F17 C55 1.358(4) . ?
F20A C74A 1.330(15) . ?
F9 C63 1.318(3) . ?
F4 C47 1.336(4) . ?
F18 C55 1.320(4) . ?
C24 C19 1.390(4) . ?
C24 C23 1.391(4) . ?
F3 C50 1.298(4) . ?
C44 C45 1.404(4) . ?
C44 C51 1.397(4) . ?
C44 B1 1.648(4) . ?
C18 C13 1.394(4) . ?
C18 C17 1.385(4) . ?
F5 C47 1.317(4) . ?
F15 C58 1.310(4) . ?
F13 C58 1.299(4) . ?
C5 H5 0.9300 . ?
C5 C6 1.395(4) . ?
C5 C4 1.386(4) . ?
C69 H69 0.9300 . ?
C69 C70 1.396(4) . ?
C69 C68 1.394(4) . ?
F7 C63 1.313(4) . ?
F21A C74A 1.342(6) . ?
F19A C74A 1.340(8) . ?
C19 C20 1.386(4) . ?
C64 H64 0.9300 . ?
C64 C65 1.384(4) . ?
C64 C62 1.388(4) . ?
C38 H38 0.9800 . ?
C38 C37 1.385(4) . ?
C38 C39 1.539(4) . ?
C59 H59 0.9300 . ?
C59 C52 1.398(4) . ?
C59 C57 1.397(4) . ?
C25 C26 1.398(4) . ?
C25 C30 1.392(4) . ?
C65 C67 1.396(3) . ?
C65 C66 1.501(4) . ?
C53 H53 0.9300 . ?
C53 C54 1.394(4) . ?
C53 C52 1.405(4) . ?
C6 C1 1.398(4) . ?
F16 C55 1.292(4) . ?
C37 H37 0.9800 . ?
C37 C42 1.536(4) . ?
C45 H45 0.9300 . ?
C45 C46 1.394(4) . ?
C51 H51 0.9300 . ?
C51 C49 1.396(4) . ?
C67 H67 0.9300 . ?
C67 C60 1.400(4) . ?
F14 C58 1.290(4) . ?
C70 C72 1.383(4) . ?
C70 C71 1.494(4) . ?
C13 C14 1.403(4) . ?
C54 C56 1.385(4) . ?
C54 C55 1.498(4) . ?
C26 H26 0.9300 . ?
C26 C27 1.383(4) . ?
C60 C61 1.400(4) . ?
C60 B1 1.641(4) . ?
C52 B1 1.643(4) . ?
C72 H72 0.9300 . ?
C72 C73 1.390(4) . ?
C62 C61 1.393(4) . ?
C62 C63 1.497(4) . ?
C7 C8 1.392(4) . ?
C7 C12 1.400(4) . ?
C61 H61 0.9300 . ?
C17 H17 0.9300 . ?
C17 C16 1.379(4) . ?
C4 H4 0.9300 . ?
C4 C3 1.386(4) . ?
C1 H1 0.9300 . ?
C1 C2 1.384(4) . ?
C31 C36 1.388(4) . ?
C31 C32 1.389(4) . ?
C23 H23 0.9300 . ?
C23 C22 1.396(4) . ?
C8 H8 0.9300 . ?
C8 C9 1.391(4) . ?
C57 C58 1.496(4) . ?
C57 C56 1.388(4) . ?
C73 C75 1.385(4) . ?
C73 C74A 1.541(6) . ?
C73 C74B 1.442(14) . ?
C2 H2 0.9300 . ?
C2 C3 1.390(4) . ?
C27 H27 0.9300 . ?
C27 C28 1.381(5) . ?
C20 H20 0.9300 . ?
C20 C21 1.382(4) . ?
C43 H43A 0.9700 . ?
C43 H43B 0.9700 . ?
C43 C42 1.550(4) . ?
C43 C39 1.544(4) . ?
C48 H48 0.9300 . ?
C48 C46 1.384(4) . ?
C48 C49 1.381(4) . ?
C12 H12 0.9300 . ?
C12 C11 1.390(4) . ?
C42 H42 0.9800 . ?
C42 C41 1.532(4) . ?
C75 H75 0.9300 . ?
C75 C68 1.401(4) . ?
C30 H30 0.9300 . ?
C30 C29 1.388(5) . ?
C14 H14 0.9300 . ?
C14 C15 1.381(4) . ?
C36 H36 0.9300 . ?
C36 C35 1.388(4) . ?
C21 H21 0.9300 . ?
C21 C22 1.379(5) . ?
C68 B1 1.639(4) . ?
C3 H3 0.9300 . ?
C9 H9 0.9300 . ?
C9 C10 1.385(4) . ?
C15 H15 0.9300 . ?
C15 C16 1.389(5) . ?
C41 H41 0.9800 . ?
C41 C40 1.383(4) . ?
C10 H10 0.9300 . ?
C10 C11 1.385(5) . ?
C56 H56 0.9300 . ?
C16 H16 0.9300 . ?
C39 H39 0.9800 . ?
C39 C40 1.545(4) . ?
F22A C71 1.343(5) . ?
C46 C47 1.494(4) . ?
C71 F24A 1.303(5) . ?
C71 F23A 1.275(5) . ?
C71 F23B 1.271(8) . ?
C71 F24B 1.302(7) . ?
C71 F22B 1.367(7) . ?
C32 H32 0.9300 . ?
C32 C33 1.392(5) . ?
C22 H22 0.9300 . ?
C35 H35 0.9300 . ?
C35 C34 1.375(6) . ?
C11 H11 0.9300 . ?
C28 H28 0.9300 . ?
C28 C29 1.382(5) . ?
C49 C50 1.499(4) . ?
C34 H34 0.9300 . ?
C34 C33 1.377(6) . ?
C40 H40 0.9800 . ?
F1 C50 1.293(4) . ?
C29 H29 0.9300 . ?
F2 C50 1.276(4) . ?
C33 H33 0.9300 . ?
C80 H80A 0.9600 . ?
C80 H80B 0.9600 . ?
C80 H80C 0.9600 . ?
C80 C79 1.496(7) . ?
C79 H79A 0.9700 . ?
C79 H79B 0.9700 . ?
C79 C78 1.493(6) . ?
C77 H77A 0.9700 . ?
C77 H77B 0.9700 . ?
C77 C78 1.500(6) . ?
C77 C76 1.486(7) . ?
C78 H78A 0.9700 . ?
C78 H78B 0.9700 . ?
C76 H76A 0.9600 . ?
C76 H76B 0.9600 . ?
C76 H76C 0.9600 . ?
C74B F19B 1.316(18) . ?
C74B F20B 1.30(3) . ?
C74B F21B 1.34(2) . ?
C86B C85B 1.392(11) . ?
C86B C81B 1.383(11) . ?
C86B F26B 1.350(14) . ?
C85B C84B 1.387(11) . ?
C85B F25B 1.358(14) . ?
C84B H84B 0.9300 . ?
C84B C83B 1.380(11) . ?
C83B H83B 0.9300 . ?
C83B C82B 1.390(12) . ?
C82B H82B 0.9300 . ?
C82B C81B 1.387(11) . ?
C81B H81B 0.9300 . ?
C86A C85A 1.384(11) . ?
C86A C81A 1.385(11) . ?
C86A F25A 1.347(14) . ?
C85A C84A 1.385(11) . ?
C85A F26A 1.342(12) . ?
C84A H84A 0.9300 . ?
C84A C83A 1.385(11) . ?
C83A H83A 0.9300 . ?
C83A C82A 1.379(11) . ?
C82A H82A 0.9300 . ?
C82A C81A 1.387(12) . ?
C81A H81A 0.9300 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Rh1 P2 98.58(2) . . ?
C38 Rh1 P1 100.33(7) . . ?
C38 Rh1 P2 152.40(7) . . ?
C38 Rh1 C37 36.76(10) . . ?
C38 Rh1 C41 77.53(10) . . ?
C38 Rh1 C40 66.55(10) . . ?
C37 Rh1 P1 94.81(7) . . ?
C37 Rh1 P2 158.80(7) . . ?
C37 Rh1 C41 64.87(10) . . ?
C41 Rh1 P1 149.23(8) . . ?
C41 Rh1 P2 95.95(7) . . ?
C40 Rh1 P1 165.86(8) . . ?
C40 Rh1 P2 92.09(7) . . ?
C40 Rh1 C37 77.84(10) . . ?
C40 Rh1 C41 36.63(10) . . ?
C6 P1 Rh1 106.30(8) . . ?
C6 P1 C13 105.60(11) . . ?
C6 P1 C7 103.88(12) . . ?
C13 P1 Rh1 124.96(8) . . ?
C7 P1 Rh1 112.92(8) . . ?
C7 P1 C13 101.23(12) . . ?
C24 P2 Rh1 123.97(8) . . ?
C24 P2 C31 101.10(12) . . ?
C25 P2 Rh1 107.92(8) . . ?
C25 P2 C24 104.29(12) . . ?
C25 P2 C31 105.51(13) . . ?
C31 P2 Rh1 112.45(10) . . ?
C18 O1 C19 118.49(19) . . ?
C19 C24 P2 115.17(19) . . ?
C19 C24 C23 118.3(2) . . ?
C23 C24 P2 126.5(2) . . ?
C45 C44 B1 118.8(2) . . ?
C51 C44 C45 115.8(2) . . ?
C51 C44 B1 125.4(2) . . ?
O1 C18 C13 118.6(2) . . ?
C17 C18 O1 119.2(2) . . ?
C17 C18 C13 122.1(3) . . ?
C6 C5 H5 120.1 . . ?
C4 C5 H5 120.1 . . ?
C4 C5 C6 119.8(2) . . ?
C70 C69 H69 119.1 . . ?
C68 C69 H69 119.1 . . ?
C68 C69 C70 121.8(2) . . ?
O1 C19 C24 114.2(2) . . ?
C20 C19 O1 123.6(2) . . ?
C20 C19 C24 122.1(2) . . ?
C65 C64 H64 121.1 . . ?
C65 C64 C62 117.9(2) . . ?
C62 C64 H64 121.1 . . ?
Rh1 C38 H38 122.9 . . ?
C37 C38 Rh1 72.96(15) . . ?
C37 C38 H38 122.9 . . ?
C37 C38 C39 106.7(2) . . ?
C39 C38 Rh1 95.79(16) . . ?
C39 C38 H38 122.9 . . ?
C52 C59 H59 118.8 . . ?
C57 C59 H59 118.8 . . ?
C57 C59 C52 122.4(2) . . ?
C26 C25 P2 119.2(2) . . ?
C30 C25 P2 121.3(2) . . ?
C30 C25 C26 118.8(3) . . ?
C64 C65 C67 121.2(2) . . ?
C64 C65 C66 119.5(2) . . ?
C67 C65 C66 119.3(2) . . ?
C54 C53 H53 118.9 . . ?
C54 C53 C52 122.2(3) . . ?
C52 C53 H53 118.9 . . ?
C5 C6 P1 123.6(2) . . ?
C5 C6 C1 119.5(2) . . ?
C1 C6 P1 116.88(19) . . ?
Rh1 C37 H37 123.2 . . ?
C38 C37 Rh1 70.28(14) . . ?
C38 C37 H37 123.2 . . ?
C38 C37 C42 106.3(2) . . ?
C42 C37 Rh1 96.79(16) . . ?
C42 C37 H37 123.2 . . ?
C44 C45 H45 118.8 . . ?
C46 C45 C44 122.4(2) . . ?
C46 C45 H45 118.8 . . ?
C44 C51 H51 119.1 . . ?
C49 C51 C44 121.8(2) . . ?
C49 C51 H51 119.1 . . ?
C65 C67 H67 119.0 . . ?
C65 C67 C60 122.0(2) . . ?
C60 C67 H67 119.0 . . ?
C69 C70 C71 120.1(3) . . ?
C72 C70 C69 121.1(2) . . ?
C72 C70 C71 118.8(3) . . ?
C18 C13 P1 120.4(2) . . ?
C18 C13 C14 117.1(2) . . ?
C14 C13 P1 122.5(2) . . ?
C53 C54 C55 118.4(3) . . ?
C56 C54 C53 121.2(3) . . ?
C56 C54 C55 120.4(3) . . ?
C25 C26 H26 119.7 . . ?
C27 C26 C25 120.6(3) . . ?
C27 C26 H26 119.7 . . ?
C67 C60 B1 124.1(2) . . ?
C61 C60 C67 115.7(2) . . ?
C61 C60 B1 120.0(2) . . ?
C59 C52 C53 115.4(2) . . ?
C59 C52 B1 123.3(2) . . ?
C53 C52 B1 120.9(2) . . ?
C70 C72 H72 121.1 . . ?
C70 C72 C73 117.8(3) . . ?
C73 C72 H72 121.1 . . ?
C64 C62 C61 120.8(2) . . ?
C64 C62 C63 120.7(2) . . ?
C61 C62 C63 118.5(2) . . ?
C8 C7 P1 122.1(2) . . ?
C8 C7 C12 118.8(2) . . ?
C12 C7 P1 119.1(2) . . ?
C60 C61 H61 118.8 . . ?
C62 C61 C60 122.4(2) . . ?
C62 C61 H61 118.8 . . ?
C18 C17 H17 120.3 . . ?
C16 C17 C18 119.5(3) . . ?
C16 C17 H17 120.3 . . ?
C5 C4 H4 119.7 . . ?
C3 C4 C5 120.6(3) . . ?
C3 C4 H4 119.7 . . ?
C6 C1 H1 119.8 . . ?
C2 C1 C6 120.3(2) . . ?
C2 C1 H1 119.8 . . ?
F8 C63 F9 106.3(3) . . ?
F8 C63 F7 105.6(3) . . ?
F8 C63 C62 113.3(2) . . ?
F9 C63 C62 113.4(2) . . ?
F7 C63 F9 105.2(3) . . ?
F7 C63 C62 112.4(2) . . ?
C36 C31 P2 120.5(2) . . ?
C36 C31 C32 119.3(3) . . ?
C32 C31 P2 120.0(2) . . ?
C24 C23 H23 120.0 . . ?
C24 C23 C22 120.1(3) . . ?
C22 C23 H23 120.0 . . ?
C7 C8 H8 119.9 . . ?
C9 C8 C7 120.3(3) . . ?
C9 C8 H8 119.9 . . ?
C59 C57 C58 119.2(3) . . ?
C56 C57 C59 120.9(3) . . ?
C56 C57 C58 119.9(2) . . ?
F15 C58 C57 112.2(2) . . ?
F13 C58 F15 103.5(3) . . ?
F13 C58 C57 113.6(2) . . ?
F14 C58 F15 105.4(3) . . ?
F14 C58 F13 107.2(3) . . ?
F14 C58 C57 114.0(3) . . ?
C72 C73 C74A 118.6(3) . . ?
C72 C73 C74B 113.2(6) . . ?
C75 C73 C72 120.9(3) . . ?
C75 C73 C74A 119.9(3) . . ?
C75 C73 C74B 121.5(6) . . ?
C1 C2 H2 120.0 . . ?
C1 C2 C3 119.9(3) . . ?
C3 C2 H2 120.0 . . ?
C26 C27 H27 120.0 . . ?
C28 C27 C26 119.9(3) . . ?
C28 C27 H27 120.0 . . ?
C19 C20 H20 120.8 . . ?
C21 C20 C19 118.5(3) . . ?
C21 C20 H20 120.8 . . ?
H43A C43 H43B 110.4 . . ?
C42 C43 H43A 113.0 . . ?
C42 C43 H43B 113.0 . . ?
C39 C43 H43A 113.0 . . ?
C39 C43 H43B 113.0 . . ?
C39 C43 C42 93.7(2) . . ?
C46 C48 H48 120.8 . . ?
C49 C48 H48 120.8 . . ?
C49 C48 C46 118.3(3) . . ?
C7 C12 H12 119.7 . . ?
C11 C12 C7 120.6(3) . . ?
C11 C12 H12 119.7 . . ?
C37 C42 C43 100.6(2) . . ?
C37 C42 H42 117.2 . . ?
C43 C42 H42 117.2 . . ?
C41 C42 C37 101.4(2) . . ?
C41 C42 C43 100.1(2) . . ?
C41 C42 H42 117.2 . . ?
C73 C75 H75 118.9 . . ?
C73 C75 C68 122.3(3) . . ?
C68 C75 H75 118.9 . . ?
C25 C30 H30 119.8 . . ?
C29 C30 C25 120.3(3) . . ?
C29 C30 H30 119.8 . . ?
C13 C14 H14 119.4 . . ?
C15 C14 C13 121.2(3) . . ?
C15 C14 H14 119.4 . . ?
C31 C36 H36 119.9 . . ?
C35 C36 C31 120.2(3) . . ?
C35 C36 H36 119.9 . . ?
C20 C21 H21 119.6 . . ?
C22 C21 C20 120.9(3) . . ?
C22 C21 H21 119.6 . . ?
C69 C68 C75 116.0(2) . . ?
C69 C68 B1 122.2(2) . . ?
C75 C68 B1 121.2(2) . . ?
C4 C3 C2 119.9(3) . . ?
C4 C3 H3 120.1 . . ?
C2 C3 H3 120.1 . . ?
F11 C66 C65 111.4(2) . . ?
F12 C66 F11 105.6(2) . . ?
F12 C66 C65 112.9(2) . . ?
F10 C66 F11 106.5(2) . . ?
F10 C66 F12 106.9(2) . . ?
F10 C66 C65 113.1(2) . . ?
C8 C9 H9 119.8 . . ?
C10 C9 C8 120.5(3) . . ?
C10 C9 H9 119.8 . . ?
C14 C15 H15 120.0 . . ?
C14 C15 C16 120.1(3) . . ?
C16 C15 H15 120.0 . . ?
Rh1 C41 H41 123.0 . . ?
C42 C41 Rh1 96.85(16) . . ?
C42 C41 H41 123.0 . . ?
C40 C41 Rh1 70.48(15) . . ?
C40 C41 C42 107.0(2) . . ?
C40 C41 H41 123.0 . . ?
C9 C10 H10 120.1 . . ?
C9 C10 C11 119.8(3) . . ?
C11 C10 H10 120.1 . . ?
C54 C56 C57 117.7(2) . . ?
C54 C56 H56 121.2 . . ?
C57 C56 H56 121.2 . . ?
C17 C16 C15 120.0(3) . . ?
C17 C16 H16 120.0 . . ?
C15 C16 H16 120.0 . . ?
C38 C39 C43 100.3(2) . . ?
C38 C39 H39 117.2 . . ?
C38 C39 C40 101.8(2) . . ?
C43 C39 H39 117.2 . . ?
C43 C39 C40 100.0(2) . . ?
C40 C39 H39 117.2 . . ?
F17 C55 C54 111.9(3) . . ?
F18 C55 F17 101.5(3) . . ?
F18 C55 C54 113.4(3) . . ?
F16 C55 F17 106.0(3) . . ?
F16 C55 F18 109.1(3) . . ?
F16 C55 C54 114.0(3) . . ?
C45 C46 C47 119.3(3) . . ?
C48 C46 C45 120.5(3) . . ?
C48 C46 C47 120.2(3) . . ?
F22A C71 C70 112.8(3) . . ?
F24A C71 C70 111.8(3) . . ?
F24A C71 F22A 102.6(4) . . ?
F23A C71 C70 111.1(3) . . ?
F23A C71 F22A 107.7(5) . . ?
F23A C71 F24A 110.5(5) . . ?
F23B C71 C70 114.5(4) . . ?
F23B C71 F24B 105.8(8) . . ?
F23B C71 F22B 102.2(8) . . ?
F24B C71 C70 115.2(4) . . ?
F24B C71 F22B 101.7(6) . . ?
F22B C71 C70 115.7(4) . . ?
C31 C32 H32 120.0 . . ?
C31 C32 C33 120.0(3) . . ?
C33 C32 H32 120.0 . . ?
C23 C22 H22 119.9 . . ?
C21 C22 C23 120.1(3) . . ?
C21 C22 H22 119.9 . . ?
C36 C35 H35 119.9 . . ?
C34 C35 C36 120.3(3) . . ?
C34 C35 H35 119.9 . . ?
C12 C11 H11 120.0 . . ?
C10 C11 C12 120.0(3) . . ?
C10 C11 H11 120.0 . . ?
C60 B1 C44 105.75(19) . . ?
C60 B1 C52 111.4(2) . . ?
C52 B1 C44 113.9(2) . . ?
C68 B1 C44 109.0(2) . . ?
C68 B1 C60 113.8(2) . . ?
C68 B1 C52 103.21(19) . . ?
C27 C28 H28 119.9 . . ?
C27 C28 C29 120.2(3) . . ?
C29 C28 H28 119.9 . . ?
C51 C49 C50 119.9(3) . . ?
C48 C49 C51 121.1(3) . . ?
C48 C49 C50 119.0(3) . . ?
F6 C47 C46 112.5(2) . . ?
F4 C47 F6 103.1(3) . . ?
F4 C47 C46 113.0(3) . . ?
F5 C47 F6 107.2(3) . . ?
F5 C47 F4 106.7(3) . . ?
F5 C47 C46 113.5(3) . . ?
C35 C34 H34 120.0 . . ?
C35 C34 C33 120.0(3) . . ?
C33 C34 H34 120.0 . . ?
Rh1 C40 H40 123.2 . . ?
C41 C40 Rh1 72.89(15) . . ?
C41 C40 C39 106.1(2) . . ?
C41 C40 H40 123.2 . . ?
C39 C40 Rh1 95.39(16) . . ?
C39 C40 H40 123.2 . . ?
C30 C29 H29 119.9 . . ?
C28 C29 C30 120.1(3) . . ?
C28 C29 H29 119.9 . . ?
C32 C33 H33 119.9 . . ?
C34 C33 C32 120.2(3) . . ?
C34 C33 H33 119.9 . . ?
F3 C50 C49 113.6(3) . . ?
F1 C50 F3 104.0(4) . . ?
F1 C50 C49 113.3(3) . . ?
F2 C50 F3 106.7(3) . . ?
F2 C50 C49 113.6(3) . . ?
F2 C50 F1 104.8(4) . . ?
F20A C74A F21A 106.4(7) . . ?
F20A C74A F19A 106.6(6) . . ?
F20A C74A C73 113.4(6) . . ?
F21A C74A C73 110.2(5) . . ?
F19A C74A F21A 105.6(5) . . ?
F19A C74A C73 114.2(4) . . ?
H80A C80 H80B 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
C79 C80 H80A 109.5 . . ?
C79 C80 H80B 109.5 . . ?
C79 C80 H80C 109.5 . . ?
C80 C79 H79A 108.1 . . ?
C80 C79 H79B 108.1 . . ?
H79A C79 H79B 107.3 . . ?
C78 C79 C80 116.6(4) . . ?
C78 C79 H79A 108.1 . . ?
C78 C79 H79B 108.1 . . ?
H77A C77 H77B 107.7 . . ?
C78 C77 H77A 108.9 . . ?
C78 C77 H77B 108.9 . . ?
C76 C77 H77A 108.9 . . ?
C76 C77 H77B 108.9 . . ?
C76 C77 C78 113.5(4) . . ?
C79 C78 C77 114.6(4) . . ?
C79 C78 H78A 108.6 . . ?
C79 C78 H78B 108.6 . . ?
C77 C78 H78A 108.6 . . ?
C77 C78 H78B 108.6 . . ?
H78A C78 H78B 107.6 . . ?
C77 C76 H76A 109.5 . . ?
C77 C76 H76B 109.5 . . ?
C77 C76 H76C 109.5 . . ?
H76A C76 H76B 109.5 . . ?
H76A C76 H76C 109.5 . . ?
H76B C76 H76C 109.5 . . ?
F19B C74B C73 106.3(13) . . ?
F19B C74B F21B 104.8(14) . . ?
F20B C74B C73 108.3(17) . . ?
F20B C74B F19B 109.6(19) . . ?
F20B C74B F21B 105.0(18) . . ?
F21B C74B C73 122.5(12) . . ?
C81B C86B C85B 119.9(12) . . ?
F26B C86B C85B 119.6(15) . . ?
F26B C86B C81B 120.5(15) . . ?
C84B C85B C86B 118.2(11) . . ?
F25B C85B C86B 119.9(14) . . ?
F25B C85B C84B 121.9(15) . . ?
C85B C84B H84B 119.2 . . ?
C83B C84B C85B 121.6(13) . . ?
C83B C84B H84B 119.2 . . ?
C84B C83B H83B 119.7 . . ?
C84B C83B C82B 120.5(13) . . ?
C82B C83B H83B 119.7 . . ?
C83B C82B H82B 121.1 . . ?
C81B C82B C83B 117.8(13) . . ?
C81B C82B H82B 121.1 . . ?
C86B C81B C82B 122.0(13) . . ?
C86B C81B H81B 119.0 . . ?
C82B C81B H81B 119.0 . . ?
C85A C86A C81A 121.0(12) . . ?
F25A C86A C85A 118.2(15) . . ?
F25A C86A C81A 120.7(16) . . ?
C86A C85A C84A 121.0(11) . . ?
F26A C85A C86A 120.0(14) . . ?
F26A C85A C84A 119.0(14) . . ?
C85A C84A H84A 121.2 . . ?
C85A C84A C83A 117.6(12) . . ?
C83A C84A H84A 121.2 . . ?
C84A C83A H83A 119.1 . . ?
C82A C83A C84A 121.9(13) . . ?
C82A C83A H83A 119.1 . . ?
C83A C82A H82A 119.9 . . ?
C83A C82A C81A 120.3(13) . . ?
C81A C82A H82A 119.9 . . ?
C86A C81A C82A 118.2(13) . . ?
C86A C81A H81A 120.9 . . ?
C82A C81A H81A 120.9 . . ?

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
Rh1 P1 C6 C5 -143.2(2) . . . . ?
Rh1 P1 C6 C1 35.1(2) . . . . ?
Rh1 P1 C13 C18 41.7(2) . . . . ?
Rh1 P1 C13 C14 -137.03(19) . . . . ?
Rh1 P1 C7 C8 -107.8(2) . . . . ?
Rh1 P1 C7 C12 71.2(2) . . . . ?
Rh1 P2 C24 C19 58.7(2) . . . . ?
Rh1 P2 C24 C23 -123.2(2) . . . . ?
Rh1 P2 C25 C26 70.5(2) . . . . ?
Rh1 P2 C25 C30 -100.1(2) . . . . ?
Rh1 P2 C31 C36 -1.2(3) . . . . ?
Rh1 P2 C31 C32 -177.0(2) . . . . ?
Rh1 C38 C37 C42 91.48(18) . . . . ?
Rh1 C38 C39 C43 -108.36(18) . . . . ?
Rh1 C38 C39 C40 -5.7(2) . . . . ?
Rh1 C37 C42 C43 105.02(18) . . . . ?
Rh1 C37 C42 C41 2.3(2) . . . . ?
Rh1 C41 C40 C39 90.78(18) . . . . ?
P1 C6 C1 C2 -177.6(2) . . . . ?
P1 C13 C14 C15 177.9(2) . . . . ?
P1 C7 C8 C9 179.6(2) . . . . ?
P1 C7 C12 C11 179.8(2) . . . . ?
P2 C24 C19 O1 2.2(3) . . . . ?
P2 C24 C19 C20 179.5(2) . . . . ?
P2 C24 C23 C22 -178.6(2) . . . . ?
P2 C25 C26 C27 -171.5(2) . . . . ?
P2 C25 C30 C29 170.2(3) . . . . ?
P2 C31 C36 C35 -177.2(2) . . . . ?
P2 C31 C32 C33 176.4(2) . . . . ?
O1 C18 C13 P1 -0.3(3) . . . . ?
O1 C18 C13 C14 178.5(2) . . . . ?
O1 C18 C17 C16 -178.1(3) . . . . ?
O1 C19 C20 C21 176.4(2) . . . . ?
C24 P2 C25 C26 -63.0(2) . . . . ?
C24 P2 C25 C30 126.4(2) . . . . ?
C24 P2 C31 C36 133.1(2) . . . . ?
C24 P2 C31 C32 -42.8(3) . . . . ?
C24 C19 C20 C21 -0.6(4) . . . . ?
C24 C23 C22 C21 -0.6(5) . . . . ?
C44 C45 C46 C48 1.0(4) . . . . ?
C44 C45 C46 C47 179.1(3) . . . . ?
C44 C51 C49 C48 2.6(4) . . . . ?
C44 C51 C49 C50 -177.1(3) . . . . ?
C18 O1 C19 C24 -144.2(2) . . . . ?
C18 O1 C19 C20 38.5(3) . . . . ?
C18 C13 C14 C15 -0.9(4) . . . . ?
C18 C17 C16 C15 0.0(4) . . . . ?
C5 C6 C1 C2 0.7(4) . . . . ?
C5 C4 C3 C2 0.8(5) . . . . ?
C69 C70 C72 C73 0.2(4) . . . . ?
C69 C70 C71 F22A -160.6(4) . . . . ?
C69 C70 C71 F24A -45.6(5) . . . . ?
C69 C70 C71 F23A 78.4(6) . . . . ?
C69 C70 C71 F23B -108.9(9) . . . . ?
C69 C70 C71 F24B 128.0(7) . . . . ?
C69 C70 C71 F22B 9.6(7) . . . . ?
C69 C68 B1 C44 -160.9(2) . . . . ?
C69 C68 B1 C60 -43.2(3) . . . . ?
C69 C68 B1 C52 77.7(3) . . . . ?
C19 O1 C18 C13 91.6(3) . . . . ?
C19 O1 C18 C17 -91.1(3) . . . . ?
C19 C24 C23 C22 -0.5(4) . . . . ?
C19 C20 C21 C22 -0.6(4) . . . . ?
C64 C65 C67 C60 -1.6(4) . . . . ?
C64 C65 C66 F11 99.9(3) . . . . ?
C64 C65 C66 F12 -141.5(2) . . . . ?
C64 C65 C66 F10 -20.0(4) . . . . ?
C64 C62 C61 C60 -2.1(4) . . . . ?
C64 C62 C63 F8 131.7(3) . . . . ?
C64 C62 C63 F9 10.5(4) . . . . ?
C64 C62 C63 F7 -108.7(3) . . . . ?
C38 C37 C42 C43 33.6(3) . . . . ?
C38 C37 C42 C41 -69.1(3) . . . . ?
C38 C39 C40 Rh1 5.7(2) . . . . ?
C38 C39 C40 C41 -68.0(3) . . . . ?
C59 C52 B1 C44 142.6(2) . . . . ?
C59 C52 B1 C60 23.1(3) . . . . ?
C59 C52 B1 C68 -99.4(3) . . . . ?
C59 C57 C58 F15 61.8(4) . . . . ?
C59 C57 C58 F13 -55.2(4) . . . . ?
C59 C57 C58 F14 -178.5(3) . . . . ?
C59 C57 C56 C54 -1.9(4) . . . . ?
C25 P2 C24 C19 -177.65(19) . . . . ?
C25 P2 C24 C23 0.5(3) . . . . ?
C25 P2 C31 C36 -118.6(2) . . . . ?
C25 P2 C31 C32 65.6(3) . . . . ?
C25 C26 C27 C28 1.1(5) . . . . ?
C25 C30 C29 C28 0.9(6) . . . . ?
C65 C64 C62 C61 0.1(4) . . . . ?
C65 C64 C62 C63 -179.6(2) . . . . ?
C65 C67 C60 C61 -0.3(4) . . . . ?
C65 C67 C60 B1 -175.6(2) . . . . ?
C53 C54 C56 C57 0.6(4) . . . . ?
C53 C54 C55 F17 49.3(4) . . . . ?
C53 C54 C55 F18 -64.7(4) . . . . ?
C53 C54 C55 F16 169.5(3) . . . . ?
C53 C52 B1 C44 -44.5(3) . . . . ?
C53 C52 B1 C60 -164.1(2) . . . . ?
C53 C52 B1 C68 73.4(3) . . . . ?
C6 P1 C13 C18 -81.7(2) . . . . ?
C6 P1 C13 C14 99.5(2) . . . . ?
C6 P1 C7 C8 6.9(2) . . . . ?
C6 P1 C7 C12 -174.0(2) . . . . ?
C6 C5 C4 C3 1.1(4) . . . . ?
C6 C1 C2 C3 1.2(4) . . . . ?
C37 C38 C39 C43 -34.4(3) . . . . ?
C37 C38 C39 C40 68.2(3) . . . . ?
C37 C42 C41 Rh1 -2.3(2) . . . . ?
C37 C42 C41 C40 69.4(3) . . . . ?
C45 C44 C51 C49 -3.0(4) . . . . ?
C45 C44 B1 C60 -69.7(3) . . . . ?
C45 C44 B1 C52 167.6(2) . . . . ?
C45 C44 B1 C68 53.0(3) . . . . ?
C45 C46 C47 F6 51.3(4) . . . . ?
C45 C46 C47 F4 -65.0(4) . . . . ?
C45 C46 C47 F5 173.3(3) . . . . ?
C51 C44 C45 C46 1.2(4) . . . . ?
C51 C44 B1 C60 111.1(3) . . . . ?
C51 C44 B1 C52 -11.6(3) . . . . ?
C51 C44 B1 C68 -126.2(3) . . . . ?
C51 C49 C50 F3 143.9(3) . . . . ?
C51 C49 C50 F1 25.5(5) . . . . ?
C51 C49 C50 F2 -94.0(4) . . . . ?
C67 C65 C66 F11 -77.6(3) . . . . ?
C67 C65 C66 F12 40.9(3) . . . . ?
C67 C65 C66 F10 162.5(2) . . . . ?
C67 C60 C61 C62 2.2(4) . . . . ?
C67 C60 B1 C44 95.0(3) . . . . ?
C67 C60 B1 C52 -140.7(2) . . . . ?
C67 C60 B1 C68 -24.6(3) . . . . ?
C70 C69 C68 C75 -0.7(4) . . . . ?
C70 C69 C68 B1 -172.9(2) . . . . ?
C70 C72 C73 C75 -1.1(4) . . . . ?
C70 C72 C73 C74A 170.4(4) . . . . ?
C70 C72 C73 C74B -157.9(8) . . . . ?
C13 P1 C6 C5 -8.6(2) . . . . ?
C13 P1 C6 C1 169.6(2) . . . . ?
C13 P1 C7 C8 116.2(2) . . . . ?
C13 P1 C7 C12 -64.7(2) . . . . ?
C13 C18 C17 C16 -0.9(4) . . . . ?
C13 C14 C15 C16 0.1(4) . . . . ?
C54 C53 C52 C59 -2.9(4) . . . . ?
C54 C53 C52 B1 -176.3(2) . . . . ?
C26 C25 C30 C29 -0.3(5) . . . . ?
C26 C27 C28 C29 -0.6(5) . . . . ?
C52 C59 C57 C58 -178.6(2) . . . . ?
C52 C59 C57 C56 0.8(4) . . . . ?
C52 C53 C54 C56 1.8(4) . . . . ?
C52 C53 C54 C55 179.9(3) . . . . ?
C72 C70 C71 F22A 18.4(5) . . . . ?
C72 C70 C71 F24A 133.4(4) . . . . ?
C72 C70 C71 F23A -102.6(6) . . . . ?
C72 C70 C71 F23B 70.1(10) . . . . ?
C72 C70 C71 F24B -53.0(7) . . . . ?
C72 C70 C71 F22B -171.4(6) . . . . ?
C72 C73 C75 C68 1.0(5) . . . . ?
C72 C73 C74A F20A 174.2(6) . . . . ?
C72 C73 C74A F21A 55.1(6) . . . . ?
C72 C73 C74A F19A -63.4(5) . . . . ?
C72 C73 C74B F19B -53.7(15) . . . . ?
C72 C73 C74B F20B -171.3(17) . . . . ?
C72 C73 C74B F21B 66.4(13) . . . . ?
C62 C64 C65 C67 1.7(4) . . . . ?
C62 C64 C65 C66 -175.8(2) . . . . ?
C7 P1 C6 C5 97.5(2) . . . . ?
C7 P1 C6 C1 -84.3(2) . . . . ?
C7 P1 C13 C18 170.3(2) . . . . ?
C7 P1 C13 C14 -8.5(2) . . . . ?
C7 C8 C9 C10 0.0(4) . . . . ?
C7 C12 C11 C10 1.1(4) . . . . ?
C61 C60 B1 C44 -80.1(3) . . . . ?
C61 C60 B1 C52 44.2(3) . . . . ?
C61 C60 B1 C68 160.3(2) . . . . ?
C61 C62 C63 F8 -48.0(4) . . . . ?
C61 C62 C63 F9 -169.2(3) . . . . ?
C61 C62 C63 F7 71.6(3) . . . . ?
C17 C18 C13 P1 -177.5(2) . . . . ?
C17 C18 C13 C14 1.3(4) . . . . ?
C4 C5 C6 P1 176.4(2) . . . . ?
C4 C5 C6 C1 -1.8(4) . . . . ?
C1 C2 C3 C4 -2.0(5) . . . . ?
C63 C62 C61 C60 177.6(2) . . . . ?
C31 P2 C24 C19 -68.3(2) . . . . ?
C31 P2 C24 C23 109.8(3) . . . . ?
C31 P2 C25 C26 -169.1(2) . . . . ?
C31 P2 C25 C30 20.4(3) . . . . ?
C31 C36 C35 C34 1.9(5) . . . . ?
C31 C32 C33 C34 -0.2(5) . . . . ?
C23 C24 C19 O1 -176.1(2) . . . . ?
C23 C24 C19 C20 1.2(4) . . . . ?
C8 C7 C12 C11 -1.1(4) . . . . ?
C8 C9 C10 C11 0.0(4) . . . . ?
C57 C59 C52 C53 1.6(4) . . . . ?
C57 C59 C52 B1 174.8(2) . . . . ?
C58 C57 C56 C54 177.4(3) . . . . ?
C73 C75 C68 C69 -0.1(4) . . . . ?
C73 C75 C68 B1 172.2(3) . . . . ?
C27 C28 C29 C30 -0.5(6) . . . . ?
C20 C21 C22 C23 1.2(5) . . . . ?
C43 C42 C41 Rh1 -105.40(18) . . . . ?
C43 C42 C41 C40 -33.8(3) . . . . ?
C43 C39 C40 Rh1 108.58(18) . . . . ?
C43 C39 C40 C41 34.9(3) . . . . ?
C48 C46 C47 F6 -130.5(3) . . . . ?
C48 C46 C47 F4 113.1(3) . . . . ?
C48 C46 C47 F5 -8.6(5) . . . . ?
C48 C49 C50 F3 -35.8(4) . . . . ?
C48 C49 C50 F1 -154.2(4) . . . . ?
C48 C49 C50 F2 86.3(4) . . . . ?
C12 C7 C8 C9 0.6(4) . . . . ?
C42 C43 C39 C38 51.7(2) . . . . ?
C42 C43 C39 C40 -52.4(2) . . . . ?
C42 C41 C40 Rh1 -91.37(18) . . . . ?
C42 C41 C40 C39 -0.6(3) . . . . ?
C75 C73 C74A F20A -14.2(8) . . . . ?
C75 C73 C74A F21A -133.3(4) . . . . ?
C75 C73 C74A F19A 108.2(4) . . . . ?
C75 C73 C74B F19B 149.6(10) . . . . ?
C75 C73 C74B F20B 32(2) . . . . ?
C75 C73 C74B F21B -90.3(12) . . . . ?
C75 C68 B1 C44 27.3(3) . . . . ?
C75 C68 B1 C60 145.0(2) . . . . ?
C75 C68 B1 C52 -94.2(3) . . . . ?
C30 C25 C26 C27 -0.7(4) . . . . ?
C14 C15 C16 C17 0.4(4) . . . . ?
C36 C31 C32 C33 0.5(4) . . . . ?
C36 C35 C34 C33 -1.6(5) . . . . ?
C68 C69 C70 C72 0.6(4) . . . . ?
C68 C69 C70 C71 179.6(2) . . . . ?
C66 C65 C67 C60 175.9(2) . . . . ?
C9 C10 C11 C12 -0.5(4) . . . . ?
C56 C54 C55 F17 -132.6(3) . . . . ?
C56 C54 C55 F18 113.3(3) . . . . ?
C56 C54 C55 F16 -12.4(5) . . . . ?
C56 C57 C58 F15 -117.6(3) . . . . ?
C56 C57 C58 F13 125.5(3) . . . . ?
C56 C57 C58 F14 2.2(5) . . . . ?
C39 C38 C37 Rh1 -91.06(18) . . . . ?
C39 C38 C37 C42 0.4(3) . . . . ?
C39 C43 C42 C37 -51.7(2) . . . . ?
C39 C43 C42 C41 52.1(2) . . . . ?
C55 C54 C56 C57 -177.3(3) . . . . ?
C46 C48 C49 C51 -0.3(4) . . . . ?
C46 C48 C49 C50 179.4(3) . . . . ?
C71 C70 C72 C73 -178.8(3) . . . . ?
C32 C31 C36 C35 -1.3(4) . . . . ?
C35 C34 C33 C32 0.7(5) . . . . ?
B1 C44 C45 C46 -178.1(2) . . . . ?
B1 C44 C51 C49 176.3(2) . . . . ?
B1 C60 C61 C62 177.7(2) . . . . ?
C49 C48 C46 C45 -1.4(4) . . . . ?
C49 C48 C46 C47 -179.5(3) . . . . ?
C74A C73 C75 C68 -170.4(4) . . . . ?
C80 C79 C78 C77 -176.7(4) . . . . ?
C76 C77 C78 C79 -177.7(4) . . . . ?
C74B C73 C75 C68 156.0(9) . . . . ?
C86B C85B C84B C83B -1(2) . . . . ?
C85B C86B C81B C82B -1(4) . . . . ?
C85B C84B C83B C82B 1(4) . . . . ?
C84B C83B C82B C81B -1(4) . . . . ?
C83B C82B C81B C86B 2(4) . . . . ?
C81B C86B C85B C84B 1.0(19) . . . . ?
C81B C86B C85B F25B -177(3) . . . . ?
F26B C86B C85B C84B 179(2) . . . . ?
F26B C86B C85B F25B 1(3) . . . . ?
F26B C86B C81B C82B -180(3) . . . . ?
F25B C85B C84B C83B 177(3) . . . . ?
C86A C85A C84A C83A 0.8(19) . . . . ?
C85A C86A C81A C82A 2(4) . . . . ?
C85A C84A C83A C82A -2(4) . . . . ?
C84A C83A C82A C81A 3(5) . . . . ?
C83A C82A C81A C86A -3(5) . . . . ?
C81A C86A C85A C84A -1(2) . . . . ?
C81A C86A C85A F26A 177(3) . . . . ?
F25A C86A C85A C84A 180(2) . . . . ?
F25A C86A C85A F26A -3(3) . . . . ?
F25A C86A C81A C82A -178(3) . . . . ?
F26A C85A C84A C83A -177(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;

loop_
_publcif_info_exptl_table_extra_item
sin_theta_over_lambda_max

loop_
_publcif_info_exptl_table_header_item
?



_publcif_funding_html            
;
;
####################################################################### 
# 
# 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_6-iPr
_database_code_depnum_ccdc_archive 'CCDC 2064130'
loop_
_audit_author_name
_audit_author_address
'Timothy M. Boyd'
;University of Oxford
United Kingdom
;

_audit_update_record             
;
2021-02-21 deposited with the CCDC.	2021-05-25 downloaded from the CCDC.
;
_publcif_datablock.id            {165c8ff9-98c2-4c9c-bd88-f5ded34234f0}
_audit_creation_date             2020-09-24
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C51 H60 B N O P2 Rh, C32 H12 B F24'
_chemical_formula_sum            'C83 H72 B2 F24 N O P2 Rh'
_chemical_formula_weight         1741.88
_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'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   14.2087(6)
_cell_length_b                   17.3935(5)
_cell_length_c                   18.5698(6)
_cell_angle_alpha                114.334(3)
_cell_angle_beta                 98.207(3)
_cell_angle_gamma                103.273(3)
_cell_volume                     3921.4(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9660
_cell_measurement_temperature    150.01(10)
_cell_measurement_theta_max      75.5660
_cell_measurement_theta_min      2.7010
_shelx_estimated_absorpt_T_max   0.862
_shelx_estimated_absorpt_T_min   0.862
_exptl_absorpt_coefficient_mu    3.064
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.80235
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.34b (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.475
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1772
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0373
_diffrn_reflns_av_unetI/netI     0.0518
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            37813
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.828
_diffrn_reflns_theta_min         2.710
_diffrn_ambient_temperature      150
_diffrn_detector_area_resol_mean 10.5035
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -39.00  11.00   1.00    1.00    --    0.00  57.00 -60.00   50
  2  ω     17.00  90.00   1.00    1.00    --    0.00  57.00 -60.00   73
  3  ω    -94.00 -62.00   1.00    1.00    --    0.00-178.00-150.00   32
  4  ω    -77.00 -37.00   1.00    1.00    --    0.00 178.00  30.00   40
  5  ω   -143.00-103.00   1.00   11.00    --  -60.50 -94.00 -60.00   40
  6  ω   -147.00-121.00   1.00   11.00    --  -60.50 -94.00 120.00   26
  7  ω   -145.00  38.00   1.00   11.00    --  -60.50 -15.00-180.00  183
  8  ω    102.00 152.00   1.00   11.00    --   60.50 125.00 120.00   50
  9  ω     26.00 117.00   1.00   11.00    --   60.50-125.00-150.00   91
 10  ω    107.00 151.00   1.00   11.00    --   60.50 125.00 -30.00   44
 11  ω     94.00 152.00   1.00   11.00    --   60.50 125.00-120.00   58
 12  ω     95.00 122.00   1.00   11.00    --   60.50 125.00 -90.00   27
 13  ω    112.00 144.00   1.00   11.00    --   60.50 125.00  60.00   32
 14  ω     95.00 120.00   1.00   11.00    --   60.50 125.00-180.00   25
 15  ω     24.00  79.00   1.00   11.00    --   60.50-125.00  90.00   55
 16  ω    127.00 152.00   1.00   11.00    --   60.50 125.00  30.00   25
 17  ω     51.00 110.00   1.00   20.00    --  121.00-111.00  30.00   59
 18  ω     64.00  92.00   1.00   20.00    --  121.00 -25.00  30.00   28
 19  ω     28.00  86.00   1.00   20.00    --  121.00 -25.00-150.00   58
 20  ω     34.00  60.00   1.00   20.00    --  121.00 -25.00  30.00   26
 21  ω     44.00  90.00   1.00   20.00    --  121.00-111.00-150.00   46
 22  ω     28.00  94.00   1.00   20.00    --  121.00 -25.00 -30.00   66
 23  ω     33.00  82.00   1.00   20.00    --  121.00 -50.00  60.00   49
 24  ω     24.00 176.00   1.00   20.00    --  121.00   0.00 150.00  152
 25  ω     45.00 112.00   1.00   20.00    --  121.00-111.00-180.00   67
 26  ω     46.00 104.00   1.00   20.00    --  121.00 -50.00-150.00   58
 27  ω     29.00  86.00   1.00   20.00    --  121.00 -25.00 150.00   57
 28  ω     76.00 112.00   1.00   20.00    --  121.00-111.00 -60.00   36
 29  ω     35.00  62.00   1.00   20.00    --  121.00 -25.00 -60.00   27
 30  ω    111.00 137.00   1.00   20.00    --  121.00 -77.00-150.00   26
 31  ω     59.00 150.00   1.00   20.00    --  121.00 178.00  90.00   91
 32  ω     85.00 110.00   1.00   20.00    --  121.00-111.00   0.00   25
 33  ω     33.00  94.00   1.00   20.00    --  121.00 -25.00  90.00   61
 34  ω     34.00 103.00   1.00   20.00    --  121.00 -50.00   0.00   69
 35  ω     86.00 112.00   1.00   20.00    --  121.00-111.00 150.00   26
 36  ω     71.00 111.00   1.00   20.00    --  121.00-111.00 120.00   40
 37  ω     82.00 108.00   1.00   20.00    --  121.00 -77.00   0.00   26
 38  ω    128.00 159.00   1.00   20.00    --  121.00 -77.00   0.00   31
 39  ω     73.00 112.00   1.00   20.00    --  121.00-111.00-120.00   39
 40  ω     64.00  92.00   1.00   20.00    --  121.00 -37.00-120.00   28
 41  ω     32.00  65.00   1.00   20.00    --  121.00 -25.00 -90.00   33
 42  ω     64.00 112.00   1.00   20.00    --  121.00-111.00  60.00   48
 43  ω     30.00  95.00   1.00   20.00    --  121.00 -77.00-150.00   65
 44  ω    -57.00 -31.00   1.00    1.00    --    0.00 -49.00-138.00   26
 45  ω     48.00  90.00   1.00    1.00    --    0.00  37.00-120.00   42
 46  ω      1.00  42.00   1.00    1.00    --    0.00 -99.00 120.00   41
 47  ω    -12.00  30.00   1.00    1.00    --    0.00 -49.00-138.00   42
 48  ω    -40.00  37.00   1.00    1.00    --    0.00  37.00-120.00   77
 49  ω    -34.00  -9.00   1.00   11.00    --   34.00 130.00-115.53   25
 50  ω    -29.00  -4.00   1.00   11.00    --   34.00 121.00  54.49   25
 51  ω      2.00  27.00   1.00   11.00    --   50.00  92.00  62.28   25
 52  ω      9.00  34.00   1.00   11.00    --   54.00  86.00 -69.91   25
 53  ω      8.00  33.00   1.00   11.00    --   54.00  87.00-168.50   25
 54  ω     10.00  35.00   1.00   11.00    --   54.00  84.00   7.49   25
 55  ω     21.00  46.00   1.00   11.00    --   60.50  77.00 -60.00   25
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                12096
_reflns_number_total             16262
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.34b (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.34b (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.34b (Rigaku OD, 2017)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.925
_refine_diff_density_min         -0.385
_refine_diff_density_rms         0.076
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1087
_refine_ls_number_reflns         16262
_refine_ls_number_restraints     84
_refine_ls_R_factor_all          0.0753
_refine_ls_R_factor_gt           0.0510
_refine_ls_restrained_S_all      1.039
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0787P)²+1.2006P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1284
_refine_ls_wR_factor_ref         0.1440
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 F1-F2 \\sim F1-F3 \\sim F2-F3 \\sim F2A-F1A \\sim F2A-F3A \\sim F1A-F3A
 with sigma of 0.04
 C66-C65 \\sim C66-F1 \\sim C66-F2 \\sim C66-F3 \\sim C66-F2A \\sim C66-F1A
\\sim C66-F3A
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(Rh1A) \\sim Ueq, Uanis(Rh1) \\sim Ueq: with sigma of 0.1 and sigma for
terminal atoms of 0.002
4. Rigid body (RIGU) restrains
 F2A, F1A, F3A, C66
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 F1, F3, F2, C66
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Sof(F2A)=Sof(F1A)=Sof(F3A)=1-FVAR(1)
 Sof(F1)=Sof(F2)=Sof(F3)=FVAR(1)
 Sof(Rh1A)=1-FVAR(2)
 Sof(Rh1)=FVAR(2)
6.a Ternary CH refined with riding coordinates:
 C46(H46), C43(H43), C49(H49)
6.b Aromatic/amide H refined with riding coordinates:
 C77(H77), C53(H53), C83(H83), C26(H26), C69(H69), C9(H9), C67(H67), C56(H56),
 C75(H75), C64(H64), C61(H61), C17(H17), C8(H8), C27(H27), C80(H80), C20(H20),
 C35(H35), C14(H14), C10(H10), C22(H22), C59(H59), C34(H34), C23(H23), C16(H16),
  C1(H1), C15(H15), C72(H72), C11(H11), C32(H32), C21(H21), C33(H33), C28(H28),
 C29(H29), C2(H2), C3(H3), C4(H4)
6.c Idealised Me refined as rotating group:
 C48(H48A,H48B,H48C), C40(H40A,H40B,H40C), C38(H38A,H38B,H38C), C47(H47A,H47B,
 H47C), C42(H42A,H42B,H42C), C51(H51A,H51B,H51C), C44(H44A,H44B,H44C), C41(H41A,
 H41B,H41C), C50(H50A,H50B,H50C), C45(H45A,H45B,H45C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_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
Rh1 Rh 0.42906(3) 0.83963(2) 0.12493(2) 0.03524(11) Uani 0.9520(15) 1 d . U P A
1
P2 P 0.56307(7) 0.83474(6) 0.20363(5) 0.03884(19) Uani 1 1 d . . . . .
P1 P 0.32977(7) 0.69003(6) 0.05983(5) 0.03799(19) Uani 1 1 d . . . . .
F19 F 0.0548(2) 1.34909(15) 0.65851(14) 0.0617(6) Uani 1 1 d . . . . .
O1 O 0.50515(19) 0.65068(16) 0.05687(14) 0.0404(5) Uani 1 1 d . . . . .
F13 F 0.4346(2) 1.56159(17) 0.63759(15) 0.0677(7) Uani 1 1 d . . . . .
F14 F 0.5737(2) 1.5335(2) 0.64098(16) 0.0763(8) Uani 1 1 d . . . . .
F17 F 0.4902(2) 1.2329(2) 0.29367(17) 0.0833(9) Uani 1 1 d . . . . .
F21 F 0.0772(3) 1.2456(2) 0.68530(16) 0.0847(10) Uani 1 1 d . . . . .
F20 F -0.0629(2) 1.2254(2) 0.61050(18) 0.0806(9) Uani 1 1 d . . . . .
F12 F -0.1728(2) 1.3705(2) 0.4186(2) 0.0855(9) Uani 1 1 d . . . . .
F10 F -0.1665(2) 1.4773(2) 0.3913(2) 0.0941(11) Uani 1 1 d . . . . .
F4 F 0.2404(2) 1.1922(2) 0.0650(2) 0.0816(9) Uani 1 1 d . . . . .
F23 F 0.1368(3) 0.9886(2) 0.48402(19) 0.0879(10) Uani 1 1 d . . . . .
F15 F 0.4540(3) 1.4654(2) 0.67424(16) 0.0941(11) Uani 1 1 d . . . . .
F18 F 0.4848(3) 1.1712(2) 0.3705(3) 0.1000(12) Uani 1 1 d . . . . .
F6 F 0.1126(3) 1.2197(3) 0.0265(2) 0.0949(11) Uani 1 1 d . . . . .
F16 F 0.6059(2) 1.2895(2) 0.4033(2) 0.0937(11) Uani 1 1 d . . . . .
F22 F 0.2236(3) 1.0207(2) 0.4094(3) 0.1205(16) Uani 1 1 d . . . . .
N1 N 0.2564(3) 0.9624(2) 0.1372(2) 0.0560(8) Uani 1 1 d . . . . .
C77 C 0.3311(3) 1.3976(2) 0.4985(2) 0.0405(7) Uani 1 1 d . . . . .
H77 H 0.292753 1.429620 0.526950 0.049 Uiso 1 1 calc R U . . .
C53 C 0.1729(3) 1.4495(2) 0.3938(2) 0.0425(7) Uani 1 1 d . . . . .
H53 H 0.241083 1.459833 0.397929 0.051 Uiso 1 1 calc R U . . .
C52 C 0.1167(3) 1.3728(2) 0.3952(2) 0.0385(7) Uani 1 1 d . . . . .
F24 F 0.0699(4) 0.9575(2) 0.3635(2) 0.1199(16) Uani 1 1 d . . . . .
C73 C 0.1209(3) 1.1076(2) 0.4585(2) 0.0468(8) Uani 1 1 d . . . . .
F11 F -0.1909(2) 1.3476(3) 0.29746(19) 0.1193(16) Uani 1 1 d . . . . .
C76 C 0.2841(3) 1.3258(2) 0.4206(2) 0.0391(7) Uani 1 1 d . . . . .
C60 C 0.1242(3) 1.2281(2) 0.2862(2) 0.0388(7) Uani 1 1 d . . . . .
C78 C 0.4323(3) 1.4227(2) 0.5349(2) 0.0431(8) Uani 1 1 d . . . . .
C83 C 0.3462(3) 1.2804(2) 0.3819(2) 0.0412(7) Uani 1 1 d . . . . .
H83 H 0.318083 1.231486 0.330263 0.049 Uiso 1 1 calc R U . . .
C81 C 0.4476(3) 1.3053(2) 0.4174(2) 0.0444(8) Uani 1 1 d . . . . .
F8 F 0.1579(3) 1.5957(3) 0.3172(2) 0.1183(15) Uani 1 1 d . . . . .
C25 C 0.5608(3) 0.8002(2) 0.2854(2) 0.0423(7) Uani 1 1 d . . . . .
F5 F 0.2298(4) 1.3205(2) 0.1297(2) 0.139(2) Uani 1 1 d . . . . .
C26 C 0.6284(3) 0.7576(2) 0.2978(2) 0.0480(8) Uani 1 1 d . . . . .
H26 H 0.664515 0.738523 0.259602 0.058 Uiso 1 1 calc R U . . .
C7 C 0.3182(3) 0.6153(2) -0.0485(2) 0.0377(7) Uani 1 1 d . . . . .
C13 C 0.3646(3) 0.6202(2) 0.1046(2) 0.0405(7) Uani 1 1 d . . . . .
C69 C 0.0902(3) 1.2702(2) 0.5054(2) 0.0401(7) Uani 1 1 d . . . . .
H69 H 0.078996 1.324868 0.522113 0.048 Uiso 1 1 calc R U . . .
F7 F 0.2845(3) 1.6005(3) 0.3935(4) 0.150(2) Uani 1 1 d . . . . .
C65 C -0.0021(3) 1.1067(2) 0.1636(2) 0.0461(8) Uani 1 1 d D . . . .
C68 C 0.1245(3) 1.2368(2) 0.4353(2) 0.0389(7) Uani 1 1 d . . . . .
C24 C 0.6462(3) 0.7799(2) 0.1495(2) 0.0406(7) Uani 1 1 d . . . . .
C9 C 0.2457(3) 0.4634(3) -0.1569(2) 0.0486(8) Uani 1 1 d . . . . .
H9 H 0.209925 0.404055 -0.174347 0.058 Uiso 1 1 calc R U . . .
C67 C 0.0375(3) 1.1531(2) 0.2480(2) 0.0418(7) Uani 1 1 d . . . . .
H67 H 0.005303 1.133881 0.280642 0.050 Uiso 1 1 calc R U . . .
C56 C 0.0285(3) 1.4977(2) 0.3804(2) 0.0476(8) Uani 1 1 d . . . . .
H56 H -0.000571 1.538339 0.374832 0.057 Uiso 1 1 calc R U . . .
C75 C 0.1385(3) 1.1537(2) 0.4134(2) 0.0443(8) Uani 1 1 d . . . . .
H75 H 0.160530 1.128482 0.366890 0.053 Uiso 1 1 calc R U . . .
C64 C 0.0447(3) 1.1333(3) 0.1131(2) 0.0474(8) Uani 1 1 d . . . . .
H64 H 0.019308 1.102114 0.056408 0.057 Uiso 1 1 calc R U . . .
F1 F -0.1484(6) 1.0209(5) 0.1749(4) 0.085(3) Uani 0.610(12) 1 d D . P B 1
C79 C 0.4749(3) 1.4958(3) 0.6212(2) 0.0543(9) Uani 1 1 d . . . . .
C70 C 0.0723(3) 1.2244(2) 0.5510(2) 0.0429(7) Uani 1 1 d . . . . .
C61 C 0.1695(3) 1.2535(2) 0.2336(2) 0.0423(7) Uani 1 1 d . . . . .
H61 H 0.227371 1.302476 0.255915 0.051 Uiso 1 1 calc R U . . .
B2 B 0.1619(3) 1.2914(3) 0.3854(2) 0.0384(8) Uani 1 1 d . . . . .
C17 C 0.4981(3) 0.5610(2) 0.1288(2) 0.0481(8) Uani 1 1 d . . . . .
H17 H 0.560895 0.555678 0.124357 0.058 Uiso 1 1 calc R U . . .
C18 C 0.4582(3) 0.6110(2) 0.0993(2) 0.0405(7) Uani 1 1 d . . . . .
C8 C 0.2652(3) 0.5260(2) -0.0763(2) 0.0443(8) Uani 1 1 d . . . . .
H8 H 0.242321 0.507989 -0.039410 0.053 Uiso 1 1 calc R U . . .
C57 C -0.0282(3) 1.4237(2) 0.3831(2) 0.0445(8) Uani 1 1 d . . . . .
C58 C -0.1388(3) 1.4053(3) 0.3721(3) 0.0539(9) Uani 1 1 d . . . . .
C27 C 0.6434(4) 0.7428(3) 0.3660(3) 0.0595(11) Uani 1 1 d . . . . .
H27 H 0.688192 0.713425 0.373141 0.071 Uiso 1 1 calc R U . . .
C46 C 0.4217(3) 0.7362(3) -0.0790(2) 0.0468(8) Uani 1 1 d . . . . .
H46 H 0.434083 0.771676 -0.019690 0.056 Uiso 1 1 calc R U . . .
C74 C 0.1389(5) 1.0190(3) 0.4300(3) 0.0655(12) Uani 1 1 d . . . . .
C54 C 0.1292(3) 1.5104(2) 0.3862(2) 0.0490(9) Uani 1 1 d . . . . .
C80 C 0.4922(3) 1.3767(3) 0.4942(2) 0.0470(8) Uani 1 1 d . . . . .
H80 H 0.560557 1.393699 0.518230 0.056 Uiso 1 1 calc R U . . .
C20 C 0.6687(3) 0.6510(3) 0.0434(2) 0.0464(8) Uani 1 1 d . . . . .
H20 H 0.641022 0.593471 0.000344 0.056 Uiso 1 1 calc R U . . .
C35 C 0.6873(3) 1.0963(3) 0.2725(3) 0.0561(10) Uani 1 1 d . . . . .
H35 H 0.677981 1.134424 0.250794 0.067 Uiso 1 1 calc R U . . .
C31 C 0.6460(3) 0.9502(2) 0.2638(2) 0.0454(8) Uani 1 1 d . . . . .
C37 C 0.5420(3) 0.9726(2) 0.1586(2) 0.0437(8) Uani 1 1 d . . . . .
C19 C 0.6075(3) 0.6933(2) 0.0852(2) 0.0405(7) Uani 1 1 d . . . . .
C14 C 0.3098(3) 0.5767(3) 0.1406(2) 0.0494(9) Uani 1 1 d . . . . .
H14 H 0.246300 0.580689 0.144230 0.059 Uiso 1 1 calc R U . . .
C10 C 0.2802(3) 0.4904(3) -0.2114(2) 0.0520(9) Uani 1 1 d . . . . .
H10 H 0.265933 0.449310 -0.266284 0.062 Uiso 1 1 calc R U . . .
C22 C 0.8114(3) 0.7795(3) 0.1285(3) 0.0578(10) Uani 1 1 d . . . . .
H22 H 0.879954 0.808719 0.143163 0.069 Uiso 1 1 calc R U . . .
C59 C 0.0151(3) 1.3619(2) 0.3902(2) 0.0408(7) Uani 1 1 d . . . . .
H59 H -0.024651 1.312255 0.391676 0.049 Uiso 1 1 calc R U . . .
C82 C 0.5088(3) 1.2508(3) 0.3726(3) 0.0604(11) Uani 1 1 d . . . . .
F9 F 0.1885(5) 1.6663(2) 0.4401(3) 0.153(2) Uani 1 1 d . . . . .
C6 C 0.2007(3) 0.6831(2) 0.0691(2) 0.0449(8) Uani 1 1 d . . . . .
C34 C 0.7601(4) 1.1282(3) 0.3445(3) 0.0620(11) Uani 1 1 d . . . . .
H34 H 0.797682 1.188342 0.372079 0.074 Uiso 1 1 calc R U . . .
F2 F -0.1502(8) 1.0087(7) 0.0575(6) 0.124(4) Uani 0.610(12) 1 d D . P B 1
C23 C 0.7490(3) 0.8224(3) 0.1700(3) 0.0496(9) Uani 1 1 d . . . . .
H23 H 0.776786 0.880448 0.212182 0.059 Uiso 1 1 calc R U . . .
C62 C 0.1299(3) 1.2071(2) 0.1490(2) 0.0455(8) Uani 1 1 d . . . . .
C12 C 0.3573(3) 0.6424(2) -0.1027(2) 0.0421(7) Uani 1 1 d . . . . .
C71 C 0.0354(4) 1.2611(3) 0.6257(2) 0.0530(9) Uani 1 1 d . . . . .
C36 C 0.6275(3) 1.0070(2) 0.2320(2) 0.0442(8) Uani 1 1 d . . . . .
C16 C 0.4423(4) 0.5190(3) 0.1651(2) 0.0555(10) Uani 1 1 d . . . . .
H16 H 0.467781 0.485095 0.185381 0.067 Uiso 1 1 calc R U . . .
C48 C 0.5234(3) 0.7380(3) -0.0972(3) 0.0624(11) Uani 1 1 d . . . . .
H48A H 0.556755 0.712016 -0.069187 0.094 Uiso 1 1 calc R U . . .
H48B H 0.563625 0.798475 -0.078665 0.094 Uiso 1 1 calc R U . . .
H48C H 0.513649 0.704592 -0.155204 0.094 Uiso 1 1 calc R U . . .
C30 C 0.5048(3) 0.8279(3) 0.3418(2) 0.0513(9) Uani 1 1 d . . . . .
C5 C 0.1103(3) 0.6555(3) 0.0093(3) 0.0517(9) Uani 1 1 d . . . . .
C1 C 0.2005(3) 0.7164(3) 0.1520(3) 0.0535(9) Uani 1 1 d . . . . .
H1 H 0.261034 0.737058 0.191424 0.064 Uiso 1 1 calc R U . . .
C43 C 0.0962(3) 0.6221(3) -0.0828(3) 0.0567(10) Uani 1 1 d . . . . .
H43 H 0.161237 0.619370 -0.093627 0.068 Uiso 1 1 calc R U . . .
C66 C -0.0922(3) 1.0284(3) 0.1272(3) 0.0671(12) Uani 1 1 d D . . . .
C40 C 0.2647(4) 1.0557(3) 0.1511(3) 0.0703(13) Uani 1 1 d . . . . .
H40A H 0.261864 1.058205 0.100176 0.105 Uiso 1 1 calc R U . . .
H40B H 0.327348 1.096272 0.190156 0.105 Uiso 1 1 calc R U . . .
H40C H 0.210287 1.071913 0.171750 0.105 Uiso 1 1 calc R U . . .
C38 C 0.5709(3) 0.9631(3) 0.0809(2) 0.0529(9) Uani 1 1 d . . . . .
H38A H 0.605278 0.919646 0.065229 0.079 Uiso 1 1 calc R U . . .
H38B H 0.614330 1.019367 0.090213 0.079 Uiso 1 1 calc R U . . .
H38C H 0.511598 0.944139 0.037840 0.079 Uiso 1 1 calc R U . . .
C15 C 0.3498(4) 0.5269(3) 0.1715(2) 0.0568(10) Uani 1 1 d . . . . .
H15 H 0.313370 0.498834 0.196601 0.068 Uiso 1 1 calc R U . . .
C72 C 0.0874(3) 1.1421(2) 0.5277(2) 0.0473(8) Uani 1 1 d . . . . .
H72 H 0.075296 1.111235 0.557903 0.057 Uiso 1 1 calc R U . . .
C11 C 0.3356(3) 0.5777(3) -0.1847(2) 0.0497(9) Uani 1 1 d . . . . .
H11 H 0.359374 0.594349 -0.221967 0.060 Uiso 1 1 calc R U . . .
C32 C 0.7212(3) 0.9829(3) 0.3366(2) 0.0561(10) Uani 1 1 d . . . . .
H32 H 0.732755 0.945060 0.357991 0.067 Uiso 1 1 calc R U . . .
C21 C 0.7704(3) 0.6937(3) 0.0656(3) 0.0525(9) Uani 1 1 d . . . . .
H21 H 0.811468 0.664725 0.038066 0.063 Uiso 1 1 calc R U . . .
C39 C 0.4505(3) 0.9800(2) 0.1737(2) 0.0457(8) Uani 1 1 d . . . . .
C47 C 0.3671(4) 0.7792(3) -0.1210(3) 0.0693(13) Uani 1 1 d . . . . .
H47A H 0.352277 0.744813 -0.179387 0.104 Uiso 1 1 calc R U . . .
H47B H 0.409000 0.838664 -0.104307 0.104 Uiso 1 1 calc R U . . .
H47C H 0.305685 0.781034 -0.105469 0.104 Uiso 1 1 calc R U . . .
F3 F -0.0659(5) 0.9508(4) 0.1076(6) 0.099(3) Uani 0.610(12) 1 d D . P B 1
C49 C 0.4291(4) 0.8751(3) 0.3340(3) 0.0573(10) Uani 1 1 d . . . . .
H49 H 0.407994 0.861160 0.276226 0.069 Uiso 1 1 calc R U . . .
C42 C 0.1612(4) 0.9005(3) 0.0733(3) 0.0677(12) Uani 1 1 d . . . . .
H42A H 0.105960 0.919373 0.089758 0.102 Uiso 1 1 calc R U . . .
H42B H 0.151776 0.841304 0.066893 0.102 Uiso 1 1 calc R U . . .
H42C H 0.164483 0.900795 0.022184 0.102 Uiso 1 1 calc R U . . .
C33 C 0.7781(4) 1.0721(3) 0.3763(3) 0.0671(13) Uani 1 1 d . . . . .
H33 H 0.828471 1.094363 0.424412 0.081 Uiso 1 1 calc R U . . .
C51 C 0.3351(4) 0.8433(4) 0.3588(3) 0.0729(14) Uani 1 1 d . . . . .
H51A H 0.310252 0.779413 0.331664 0.109 Uiso 1 1 calc R U . . .
H51B H 0.284415 0.865980 0.343249 0.109 Uiso 1 1 calc R U . . .
H51C H 0.351612 0.864655 0.417152 0.109 Uiso 1 1 calc R U . . .
C28 C 0.5908(4) 0.7725(3) 0.4225(3) 0.0634(12) Uani 1 1 d . . . . .
H28 H 0.601838 0.765084 0.469456 0.076 Uiso 1 1 calc R U . . .
C55 C 0.1912(4) 1.5905(3) 0.3819(3) 0.0642(12) Uani 1 1 d . . . . .
C29 C 0.5220(4) 0.8131(3) 0.4107(3) 0.0649(12) Uani 1 1 d . . . . .
H29 H 0.485965 0.831201 0.449147 0.078 Uiso 1 1 calc R U . . .
C2 C 0.1142(4) 0.7199(3) 0.1775(3) 0.0636(11) Uani 1 1 d . . . . .
H2 H 0.115858 0.740682 0.232666 0.076 Uiso 1 1 calc R U . . .
C3 C 0.0250(4) 0.6915(4) 0.1186(3) 0.0705(13) Uani 1 1 d . . . . .
H3 H -0.034247 0.693272 0.133979 0.085 Uiso 1 1 calc R U . . .
C63 C 0.1803(4) 1.2372(3) 0.0947(3) 0.0602(11) Uani 1 1 d . . . . .
C44 C 0.0651(5) 0.6846(4) -0.1127(3) 0.0890(19) Uani 1 1 d . . . . .
H44A H 0.004293 0.692734 -0.098840 0.133 Uiso 1 1 calc R U . . .
H44B H 0.054128 0.659245 -0.171095 0.133 Uiso 1 1 calc R U . . .
H44C H 0.117260 0.741138 -0.086838 0.133 Uiso 1 1 calc R U . . .
C41 C 0.2516(4) 0.9572(4) 0.2144(3) 0.0702(13) Uani 1 1 d . . . . .
H41A H 0.307422 1.003249 0.258360 0.105 Uiso 1 1 calc R U . . .
H41B H 0.254274 0.900092 0.207993 0.105 Uiso 1 1 calc R U . . .
H41C H 0.190054 0.964743 0.226841 0.105 Uiso 1 1 calc R U . . .
C4 C 0.0243(4) 0.6606(4) 0.0369(3) 0.0667(12) Uani 1 1 d . . . . .
H4 H -0.036343 0.642280 -0.001597 0.080 Uiso 1 1 calc R U . . .
C50 C 0.4768(5) 0.9772(3) 0.3845(3) 0.0740(15) Uani 1 1 d . . . . .
H50A H 0.500340 0.992670 0.441350 0.111 Uiso 1 1 calc R U . . .
H50B H 0.427577 1.005248 0.378285 0.111 Uiso 1 1 calc R U . . .
H50C H 0.532155 0.997024 0.365328 0.111 Uiso 1 1 calc R U . . .
C45 C 0.0221(4) 0.5282(4) -0.1316(4) 0.0901(18) Uani 1 1 d . . . . .
H45A H 0.043874 0.489498 -0.113058 0.135 Uiso 1 1 calc R U . . .
H45B H 0.018764 0.507027 -0.188782 0.135 Uiso 1 1 calc R U . . .
H45C H -0.043085 0.528686 -0.123636 0.135 Uiso 1 1 calc R U . . .
B1 B 0.3511(4) 0.9398(3) 0.1045(3) 0.0489(10) Uani 1 1 d . . . . .
F2A F -0.1703(6) 1.0644(9) 0.1312(9) 0.141(7) Uani 0.390(12) 1 d D . P B 2
F1A F -0.1003(16) 0.9816(11) 0.1612(10) 0.182(11) Uani 0.390(12) 1 d D . P B 2
F3A F -0.1090(9) 0.9867(9) 0.0481(5) 0.088(4) Uani 0.390(12) 1 d D . P B 2
H1A H 0.351(3) 0.950(3) 0.050(3) 0.060(13) Uiso 1 1 d . . . . .
H1B H 0.305(3) 0.847(3) 0.067(3) 0.055(12) Uiso 1 1 d . . . . .
Rh1A Rh 0.3643(7) 0.8131(6) 0.1247(5) 0.060(3) Uani 0.0480(15) 1 d . U P A 2
H39 H 0.448(3) 1.006(3) 0.233(3) 0.051(11) Uiso 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh1 P2 2.2694(9) . ?
Rh1 P1 2.3362(9) . ?
Rh1 C37 2.265(4) . ?
Rh1 C39 2.153(3) . ?
Rh1 H1B 1.99(4) . ?
P2 C25 1.851(3) . ?
P2 C24 1.839(4) . ?
P2 C31 1.833(4) . ?
P2 Rh1A 2.853(9) . ?
P1 C7 1.849(3) . ?
P1 C13 1.844(4) . ?
P1 C6 1.847(4) . ?
P1 Rh1A 1.870(8) . ?
F19 C71 1.333(5) . ?
O1 C18 1.388(4) . ?
O1 C19 1.381(4) . ?
F13 C79 1.339(5) . ?
F14 C79 1.329(5) . ?
F17 C82 1.338(6) . ?
F21 C71 1.336(5) . ?
F20 C71 1.327(5) . ?
F12 C58 1.327(5) . ?
F10 C58 1.322(5) . ?
F4 C63 1.315(5) . ?
F23 C74 1.312(5) . ?
F15 C79 1.335(5) . ?
F18 C82 1.330(6) . ?
F6 C63 1.349(6) . ?
F16 C82 1.309(5) . ?
F22 C74 1.312(6) . ?
N1 C40 1.507(5) . ?
N1 C42 1.489(6) . ?
N1 C41 1.483(6) . ?
N1 B1 1.616(6) . ?
C77 H77 0.9300 . ?
C77 C76 1.397(5) . ?
C77 C78 1.381(5) . ?
C53 H53 0.9300 . ?
C53 C52 1.403(5) . ?
C53 C54 1.387(5) . ?
C52 B2 1.639(5) . ?
C52 C59 1.396(5) . ?
F24 C74 1.309(6) . ?
C73 C75 1.389(5) . ?
C73 C74 1.505(5) . ?
C73 C72 1.381(5) . ?
F11 C58 1.302(5) . ?
C76 C83 1.397(5) . ?
C76 B2 1.636(5) . ?
C60 C67 1.405(5) . ?
C60 C61 1.401(5) . ?
C60 B2 1.635(5) . ?
C78 C79 1.497(5) . ?
C78 C80 1.390(5) . ?
C83 H83 0.9300 . ?
C83 C81 1.381(5) . ?
C81 C80 1.378(5) . ?
C81 C82 1.511(5) . ?
F8 C55 1.274(5) . ?
C25 C26 1.389(5) . ?
C25 C30 1.399(5) . ?
F5 C63 1.282(5) . ?
C26 H26 0.9300 . ?
C26 C27 1.389(5) . ?
C7 C8 1.393(5) . ?
C7 C12 1.405(5) . ?
C13 C18 1.389(5) . ?
C13 C14 1.387(5) . ?
C69 H69 0.9300 . ?
C69 C68 1.399(5) . ?
C69 C70 1.393(5) . ?
F7 C55 1.272(6) . ?
C65 C67 1.386(5) . ?
C65 C64 1.389(5) . ?
C65 C66 1.464(5) . ?
C68 C75 1.402(5) . ?
C68 B2 1.637(5) . ?
C24 C19 1.394(5) . ?
C24 C23 1.392(5) . ?
C9 H9 0.9300 . ?
C9 C8 1.380(5) . ?
C9 C10 1.382(6) . ?
C67 H67 0.9300 . ?
C56 H56 0.9300 . ?
C56 C57 1.377(6) . ?
C56 C54 1.378(6) . ?
C75 H75 0.9300 . ?
C64 H64 0.9300 . ?
C64 C62 1.382(6) . ?
F1 C66 1.299(7) . ?
C70 C71 1.496(5) . ?
C70 C72 1.394(5) . ?
C61 H61 0.9300 . ?
C61 C62 1.389(5) . ?
C17 H17 0.9300 . ?
C17 C18 1.382(5) . ?
C17 C16 1.381(6) . ?
C8 H8 0.9300 . ?
C57 C58 1.496(5) . ?
C57 C59 1.396(5) . ?
C27 H27 0.9300 . ?
C27 C28 1.372(6) . ?
C46 H46 0.9800 . ?
C46 C12 1.517(5) . ?
C46 C48 1.526(6) . ?
C46 C47 1.530(6) . ?
C54 C55 1.509(6) . ?
C80 H80 0.9300 . ?
C20 H20 0.9300 . ?
C20 C19 1.384(5) . ?
C20 C21 1.377(6) . ?
C35 H35 0.9300 . ?
C35 C34 1.376(6) . ?
C35 C36 1.396(5) . ?
C31 C36 1.396(5) . ?
C31 C32 1.403(5) . ?
C37 C36 1.488(5) . ?
C37 C38 1.511(5) . ?
C37 C39 1.392(5) . ?
C14 H14 0.9300 . ?
C14 C15 1.393(6) . ?
C10 H10 0.9300 . ?
C10 C11 1.375(6) . ?
C22 H22 0.9300 . ?
C22 C23 1.401(6) . ?
C22 C21 1.378(6) . ?
C59 H59 0.9300 . ?
F9 C55 1.329(6) . ?
C6 C5 1.408(5) . ?
C6 C1 1.406(5) . ?
C6 Rh1A 2.561(10) . ?
C34 H34 0.9300 . ?
C34 C33 1.384(6) . ?
F2 C66 1.293(7) . ?
C23 H23 0.9300 . ?
C62 C63 1.507(5) . ?
C12 C11 1.405(5) . ?
C16 H16 0.9300 . ?
C16 C15 1.369(6) . ?
C48 H48A 0.9600 . ?
C48 H48B 0.9600 . ?
C48 H48C 0.9600 . ?
C30 C49 1.521(6) . ?
C30 C29 1.405(5) . ?
C5 C43 1.527(6) . ?
C5 C4 1.399(6) . ?
C1 H1 0.9300 . ?
C1 C2 1.382(6) . ?
C43 H43 0.9800 . ?
C43 C44 1.528(7) . ?
C43 C45 1.522(7) . ?
C66 F3 1.400(7) . ?
C66 F2A 1.390(10) . ?
C66 F1A 1.215(10) . ?
C66 F3A 1.299(9) . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
C15 H15 0.9300 . ?
C72 H72 0.9300 . ?
C11 H11 0.9300 . ?
C32 H32 0.9300 . ?
C32 C33 1.384(6) . ?
C21 H21 0.9300 . ?
C39 B1 1.555(6) . ?
C39 Rh1A 2.575(9) . ?
C39 H39 1.02(4) . ?
C47 H47A 0.9600 . ?
C47 H47B 0.9600 . ?
C47 H47C 0.9600 . ?
C49 H49 0.9800 . ?
C49 C51 1.533(7) . ?
C49 C50 1.544(6) . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?
C33 H33 0.9300 . ?
C51 H51A 0.9600 . ?
C51 H51B 0.9600 . ?
C51 H51C 0.9600 . ?
C28 H28 0.9300 . ?
C28 C29 1.372(7) . ?
C29 H29 0.9300 . ?
C2 H2 0.9300 . ?
C2 C3 1.384(7) . ?
C3 H3 0.9300 . ?
C3 C4 1.383(7) . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C41 H41C 0.9600 . ?
C4 H4 0.9300 . ?
C50 H50A 0.9600 . ?
C50 H50B 0.9600 . ?
C50 H50C 0.9600 . ?
C45 H45A 0.9600 . ?
C45 H45B 0.9600 . ?
C45 H45C 0.9600 . ?
B1 H1A 1.11(4) . ?
B1 H1B 1.41(4) . ?
B1 Rh1A 2.425(9) . ?
Rh1A H1B 1.64(4) . ?

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
P2 Rh1 P1 100.59(3) . . ?
P2 Rh1 H1B 173.2(11) . . ?
P1 Rh1 H1B 79.5(13) . . ?
C37 Rh1 P2 79.72(9) . . ?
C37 Rh1 P1 164.67(10) . . ?
C37 Rh1 H1B 102.1(13) . . ?
C39 Rh1 P2 103.20(11) . . ?
C39 Rh1 P1 153.06(12) . . ?
C39 Rh1 C37 36.63(14) . . ?
C39 Rh1 H1B 75.4(12) . . ?
C25 P2 Rh1 126.20(13) . . ?
C25 P2 Rh1A 110.2(2) . . ?
C24 P2 Rh1 116.60(12) . . ?
C24 P2 C25 102.67(16) . . ?
C24 P2 Rh1A 123.69(19) . . ?
C31 P2 Rh1 105.77(13) . . ?
C31 P2 C25 100.18(16) . . ?
C31 P2 C24 101.70(18) . . ?
C31 P2 Rh1A 115.3(2) . . ?
C7 P1 Rh1 122.00(12) . . ?
C7 P1 Rh1A 135.6(3) . . ?
C13 P1 Rh1 116.13(12) . . ?
C13 P1 C7 98.03(15) . . ?
C13 P1 C6 103.27(17) . . ?
C13 P1 Rh1A 120.2(3) . . ?
C6 P1 Rh1 108.96(12) . . ?
C6 P1 C7 106.47(16) . . ?
C6 P1 Rh1A 87.1(3) . . ?
C19 O1 C18 118.9(3) . . ?
C40 N1 B1 107.1(4) . . ?
C42 N1 C40 108.2(4) . . ?
C42 N1 B1 109.9(3) . . ?
C41 N1 C40 109.0(4) . . ?
C41 N1 C42 108.4(4) . . ?
C41 N1 B1 114.0(3) . . ?
C76 C77 H77 118.8 . . ?
C78 C77 H77 118.8 . . ?
C78 C77 C76 122.4(3) . . ?
C52 C53 H53 119.2 . . ?
C54 C53 H53 119.2 . . ?
C54 C53 C52 121.6(4) . . ?
C53 C52 B2 121.5(3) . . ?
C59 C52 C53 116.4(3) . . ?
C59 C52 B2 121.1(3) . . ?
C75 C73 C74 118.4(3) . . ?
C72 C73 C75 120.7(3) . . ?
C72 C73 C74 120.8(3) . . ?
C77 C76 B2 120.1(3) . . ?
C83 C76 C77 115.5(3) . . ?
C83 C76 B2 123.8(3) . . ?
C67 C60 B2 122.7(3) . . ?
C61 C60 C67 115.9(3) . . ?
C61 C60 B2 120.8(3) . . ?
C77 C78 C79 118.8(3) . . ?
C77 C78 C80 120.5(3) . . ?
C80 C78 C79 120.5(4) . . ?
C76 C83 H83 118.7 . . ?
C81 C83 C76 122.5(3) . . ?
C81 C83 H83 118.7 . . ?
C83 C81 C82 119.2(3) . . ?
C80 C81 C83 120.8(3) . . ?
C80 C81 C82 120.0(4) . . ?
C26 C25 P2 118.0(3) . . ?
C26 C25 C30 119.8(3) . . ?
C30 C25 P2 121.5(3) . . ?
C25 C26 H26 119.2 . . ?
C27 C26 C25 121.6(4) . . ?
C27 C26 H26 119.2 . . ?
C8 C7 P1 115.4(3) . . ?
C8 C7 C12 119.5(3) . . ?
C12 C7 P1 125.1(3) . . ?
C18 C13 P1 113.3(3) . . ?
C14 C13 P1 128.7(3) . . ?
C14 C13 C18 118.0(3) . . ?
C68 C69 H69 118.9 . . ?
C70 C69 H69 118.9 . . ?
C70 C69 C68 122.2(3) . . ?
C67 C65 C64 120.0(4) . . ?
C67 C65 C66 120.2(4) . . ?
C64 C65 C66 119.8(4) . . ?
C69 C68 C75 115.7(3) . . ?
C69 C68 B2 125.4(3) . . ?
C75 C68 B2 118.5(3) . . ?
C19 C24 P2 120.6(3) . . ?
C23 C24 P2 122.0(3) . . ?
C23 C24 C19 117.5(3) . . ?
C8 C9 H9 120.6 . . ?
C8 C9 C10 118.9(4) . . ?
C10 C9 H9 120.6 . . ?
C60 C67 H67 118.7 . . ?
C65 C67 C60 122.6(3) . . ?
C65 C67 H67 118.7 . . ?
C57 C56 H56 120.6 . . ?
C57 C56 C54 118.8(3) . . ?
C54 C56 H56 120.6 . . ?
C73 C75 C68 122.6(3) . . ?
C73 C75 H75 118.7 . . ?
C68 C75 H75 118.7 . . ?
C65 C64 H64 120.7 . . ?
C62 C64 C65 118.6(3) . . ?
C62 C64 H64 120.7 . . ?
F13 C79 C78 113.4(4) . . ?
F14 C79 F13 106.7(4) . . ?
F14 C79 F15 108.2(4) . . ?
F14 C79 C78 113.5(3) . . ?
F15 C79 F13 103.9(4) . . ?
F15 C79 C78 110.6(3) . . ?
C69 C70 C71 121.4(3) . . ?
C69 C70 C72 120.7(3) . . ?
C72 C70 C71 117.8(3) . . ?
C60 C61 H61 119.2 . . ?
C62 C61 C60 121.6(4) . . ?
C62 C61 H61 119.2 . . ?
C76 B2 C52 112.8(3) . . ?
C76 B2 C68 102.7(3) . . ?
C60 B2 C52 101.5(3) . . ?
C60 B2 C76 112.5(3) . . ?
C60 B2 C68 111.9(3) . . ?
C68 B2 C52 115.9(3) . . ?
C18 C17 H17 120.8 . . ?
C16 C17 H17 120.8 . . ?
C16 C17 C18 118.3(4) . . ?
O1 C18 C13 114.7(3) . . ?
C17 C18 O1 122.7(3) . . ?
C17 C18 C13 122.4(4) . . ?
C7 C8 H8 119.1 . . ?
C9 C8 C7 121.8(4) . . ?
C9 C8 H8 119.1 . . ?
C56 C57 C58 120.0(3) . . ?
C56 C57 C59 120.6(4) . . ?
C59 C57 C58 119.2(4) . . ?
F12 C58 C57 112.6(3) . . ?
F10 C58 F12 105.2(4) . . ?
F10 C58 C57 113.5(4) . . ?
F11 C58 F12 104.6(4) . . ?
F11 C58 F10 107.4(4) . . ?
F11 C58 C57 112.7(3) . . ?
C26 C27 H27 120.7 . . ?
C28 C27 C26 118.6(4) . . ?
C28 C27 H27 120.7 . . ?
C12 C46 H46 107.6 . . ?
C12 C46 C48 111.5(3) . . ?
C12 C46 C47 111.2(3) . . ?
C48 C46 H46 107.6 . . ?
C48 C46 C47 111.1(4) . . ?
C47 C46 H46 107.6 . . ?
F23 C74 C73 113.2(4) . . ?
F22 C74 F23 108.9(4) . . ?
F22 C74 C73 112.5(4) . . ?
F24 C74 F23 105.7(4) . . ?
F24 C74 F22 104.5(4) . . ?
F24 C74 C73 111.5(4) . . ?
C53 C54 C55 120.2(4) . . ?
C56 C54 C53 120.9(4) . . ?
C56 C54 C55 118.9(3) . . ?
C78 C80 H80 120.9 . . ?
C81 C80 C78 118.2(4) . . ?
C81 C80 H80 120.9 . . ?
C19 C20 H20 119.9 . . ?
C21 C20 H20 119.9 . . ?
C21 C20 C19 120.1(4) . . ?
C34 C35 H35 119.9 . . ?
C34 C35 C36 120.3(4) . . ?
C36 C35 H35 119.9 . . ?
C36 C31 P2 114.1(3) . . ?
C36 C31 C32 120.6(4) . . ?
C32 C31 P2 125.3(3) . . ?
C36 C37 Rh1 115.4(2) . . ?
C36 C37 C38 115.3(3) . . ?
C38 C37 Rh1 105.8(2) . . ?
C39 C37 Rh1 67.3(2) . . ?
C39 C37 C36 116.2(3) . . ?
C39 C37 C38 125.1(3) . . ?
O1 C19 C24 120.2(3) . . ?
O1 C19 C20 118.1(3) . . ?
C20 C19 C24 121.5(4) . . ?
C13 C14 H14 120.0 . . ?
C13 C14 C15 120.0(4) . . ?
C15 C14 H14 120.0 . . ?
C9 C10 H10 119.9 . . ?
C11 C10 C9 120.2(3) . . ?
C11 C10 H10 119.9 . . ?
C23 C22 H22 120.2 . . ?
C21 C22 H22 120.2 . . ?
C21 C22 C23 119.6(4) . . ?
C52 C59 C57 121.7(3) . . ?
C52 C59 H59 119.2 . . ?
C57 C59 H59 119.2 . . ?
F17 C82 C81 112.1(4) . . ?
F18 C82 F17 104.4(4) . . ?
F18 C82 C81 111.2(4) . . ?
F16 C82 F17 105.9(4) . . ?
F16 C82 F18 108.9(4) . . ?
F16 C82 C81 113.8(4) . . ?
P1 C6 Rh1A 46.82(19) . . ?
C5 C6 P1 130.9(3) . . ?
C5 C6 Rh1A 133.8(3) . . ?
C1 C6 P1 109.8(3) . . ?
C1 C6 C5 119.1(4) . . ?
C1 C6 Rh1A 83.7(3) . . ?
C35 C34 H34 119.5 . . ?
C35 C34 C33 120.9(4) . . ?
C33 C34 H34 119.5 . . ?
C24 C23 C22 121.3(4) . . ?
C24 C23 H23 119.4 . . ?
C22 C23 H23 119.4 . . ?
C64 C62 C61 121.2(3) . . ?
C64 C62 C63 118.9(4) . . ?
C61 C62 C63 120.0(4) . . ?
C7 C12 C46 124.7(3) . . ?
C11 C12 C7 117.5(3) . . ?
C11 C12 C46 117.7(3) . . ?
F19 C71 F21 106.0(3) . . ?
F19 C71 C70 112.9(3) . . ?
F21 C71 C70 112.4(3) . . ?
F20 C71 F19 106.8(3) . . ?
F20 C71 F21 105.7(4) . . ?
F20 C71 C70 112.5(3) . . ?
C35 C36 C37 121.5(3) . . ?
C31 C36 C35 118.8(4) . . ?
C31 C36 C37 119.6(3) . . ?
C17 C16 H16 119.7 . . ?
C15 C16 C17 120.7(4) . . ?
C15 C16 H16 119.7 . . ?
C46 C48 H48A 109.5 . . ?
C46 C48 H48B 109.5 . . ?
C46 C48 H48C 109.5 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C25 C30 C49 124.0(3) . . ?
C25 C30 C29 117.7(4) . . ?
C29 C30 C49 118.4(4) . . ?
C6 C5 C43 126.9(4) . . ?
C4 C5 C6 116.9(4) . . ?
C4 C5 C43 116.1(4) . . ?
C6 C1 H1 118.7 . . ?
C2 C1 C6 122.7(4) . . ?
C2 C1 H1 118.7 . . ?
C5 C43 H43 107.3 . . ?
C5 C43 C44 112.8(4) . . ?
C44 C43 H43 107.3 . . ?
C45 C43 C5 111.2(4) . . ?
C45 C43 H43 107.3 . . ?
C45 C43 C44 110.7(5) . . ?
F1 C66 C65 116.9(4) . . ?
F1 C66 F3 99.4(5) . . ?
F2 C66 C65 118.4(6) . . ?
F2 C66 F1 108.0(7) . . ?
F2 C66 F3 100.9(6) . . ?
F3 C66 C65 110.4(4) . . ?
F2A C66 C65 103.6(6) . . ?
F1A C66 C65 116.3(8) . . ?
F1A C66 F2A 109.5(12) . . ?
F1A C66 F3A 115.5(11) . . ?
F3A C66 C65 111.0(7) . . ?
F3A C66 F2A 98.8(8) . . ?
N1 C40 H40A 109.5 . . ?
N1 C40 H40B 109.5 . . ?
N1 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C14 C15 H15 119.7 . . ?
C16 C15 C14 120.5(4) . . ?
C16 C15 H15 119.7 . . ?
C73 C72 C70 118.1(3) . . ?
C73 C72 H72 120.9 . . ?
C70 C72 H72 120.9 . . ?
C10 C11 C12 121.9(4) . . ?
C10 C11 H11 119.0 . . ?
C12 C11 H11 119.0 . . ?
C31 C32 H32 120.3 . . ?
C33 C32 C31 119.3(4) . . ?
C33 C32 H32 120.3 . . ?
C20 C21 C22 120.1(4) . . ?
C20 C21 H21 119.9 . . ?
C22 C21 H21 119.9 . . ?
Rh1 C39 H39 111(2) . . ?
C37 C39 Rh1 76.1(2) . . ?
C37 C39 B1 123.2(3) . . ?
C37 C39 Rh1A 96.3(3) . . ?
C37 C39 H39 118(2) . . ?
B1 C39 Rh1 78.5(2) . . ?
B1 C39 Rh1A 66.7(3) . . ?
B1 C39 H39 119(2) . . ?
Rh1A C39 H39 101(2) . . ?
C46 C47 H47A 109.5 . . ?
C46 C47 H47B 109.5 . . ?
C46 C47 H47C 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C30 C49 H49 107.6 . . ?
C30 C49 C51 112.4(4) . . ?
C30 C49 C50 111.2(4) . . ?
C51 C49 H49 107.6 . . ?
C51 C49 C50 110.1(4) . . ?
C50 C49 H49 107.6 . . ?
N1 C42 H42A 109.5 . . ?
N1 C42 H42B 109.5 . . ?
N1 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C34 C33 C32 120.0(4) . . ?
C34 C33 H33 120.0 . . ?
C32 C33 H33 120.0 . . ?
C49 C51 H51A 109.5 . . ?
C49 C51 H51B 109.5 . . ?
C49 C51 H51C 109.5 . . ?
H51A C51 H51B 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C27 C28 H28 119.6 . . ?
C27 C28 C29 120.9(4) . . ?
C29 C28 H28 119.6 . . ?
F8 C55 C54 113.9(4) . . ?
F8 C55 F9 101.6(4) . . ?
F7 C55 F8 110.3(5) . . ?
F7 C55 C54 114.7(4) . . ?
F7 C55 F9 103.3(5) . . ?
F9 C55 C54 111.8(4) . . ?
C30 C29 H29 119.2 . . ?
C28 C29 C30 121.5(4) . . ?
C28 C29 H29 119.2 . . ?
C1 C2 H2 120.9 . . ?
C1 C2 C3 118.2(4) . . ?
C3 C2 H2 120.9 . . ?
C2 C3 H3 120.1 . . ?
C4 C3 C2 119.9(4) . . ?
C4 C3 H3 120.1 . . ?
F4 C63 F6 102.9(4) . . ?
F4 C63 C62 112.4(3) . . ?
F6 C63 C62 111.1(4) . . ?
F5 C63 F4 108.5(5) . . ?
F5 C63 F6 107.5(4) . . ?
F5 C63 C62 113.7(4) . . ?
C43 C44 H44A 109.5 . . ?
C43 C44 H44B 109.5 . . ?
C43 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
N1 C41 H41A 109.5 . . ?
N1 C41 H41B 109.5 . . ?
N1 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C5 C4 H4 118.4 . . ?
C3 C4 C5 123.2(5) . . ?
C3 C4 H4 118.4 . . ?
C49 C50 H50A 109.5 . . ?
C49 C50 H50B 109.5 . . ?
C49 C50 H50C 109.5 . . ?
H50A C50 H50B 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C43 C45 H45A 109.5 . . ?
C43 C45 H45B 109.5 . . ?
C43 C45 H45C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
N1 B1 H1A 109(2) . . ?
N1 B1 H1B 94.2(17) . . ?
N1 B1 Rh1A 105.4(3) . . ?
C39 B1 N1 113.8(3) . . ?
C39 B1 H1A 119(2) . . ?
C39 B1 H1B 117.3(18) . . ?
C39 B1 Rh1A 77.2(3) . . ?
H1A B1 H1B 100(3) . . ?
Rh1A B1 H1A 129(2) . . ?
Rh1A B1 H1B 40.7(18) . . ?
P2 Rh1A H1B 140.9(16) . . ?
P1 Rh1A P2 94.9(3) . . ?
P1 Rh1A C6 46.1(2) . . ?
P1 Rh1A C39 158.0(4) . . ?
P1 Rh1A B1 136.9(4) . . ?
P1 Rh1A H1B 104.5(16) . . ?
C6 Rh1A P2 131.4(3) . . ?
C6 Rh1A C39 148.1(4) . . ?
C6 Rh1A H1B 84.5(16) . . ?
C39 Rh1A P2 79.2(3) . . ?
C39 Rh1A H1B 70.0(16) . . ?
B1 Rh1A P2 113.4(3) . . ?
B1 Rh1A C6 115.2(4) . . ?
B1 Rh1A C39 36.09(18) . . ?
B1 Rh1A H1B 34.2(15) . . ?

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
Rh1 P2 C25 C26 147.3(2) . . . . ?
Rh1 P2 C25 C30 -42.7(4) . . . . ?
Rh1 P2 C24 C19 -54.0(3) . . . . ?
Rh1 P2 C24 C23 125.4(3) . . . . ?
Rh1 P2 C31 C36 -18.8(3) . . . . ?
Rh1 P2 C31 C32 160.0(4) . . . . ?
Rh1 P1 C7 C8 173.4(2) . . . . ?
Rh1 P1 C7 C12 -7.2(3) . . . . ?
Rh1 P1 C13 C18 -64.8(3) . . . . ?
Rh1 P1 C13 C14 116.1(3) . . . . ?
Rh1 P1 C6 C5 112.6(4) . . . . ?
Rh1 P1 C6 C1 -63.7(3) . . . . ?
Rh1 C37 C36 C35 -162.9(3) . . . . ?
Rh1 C37 C36 C31 14.1(5) . . . . ?
Rh1 C37 C39 B1 -65.9(3) . . . . ?
Rh1 C39 B1 N1 118.7(3) . . . . ?
P2 C25 C26 C27 169.1(3) . . . . ?
P2 C25 C30 C49 10.0(6) . . . . ?
P2 C25 C30 C29 -168.2(3) . . . . ?
P2 C24 C19 O1 5.5(4) . . . . ?
P2 C24 C19 C20 179.7(3) . . . . ?
P2 C24 C23 C22 179.7(3) . . . . ?
P2 C31 C36 C35 -179.1(3) . . . . ?
P2 C31 C36 C37 3.8(5) . . . . ?
P2 C31 C32 C33 -179.5(4) . . . . ?
P1 C7 C8 C9 176.3(3) . . . . ?
P1 C7 C12 C46 4.6(5) . . . . ?
P1 C7 C12 C11 -175.7(3) . . . . ?
P1 C13 C18 O1 -4.0(4) . . . . ?
P1 C13 C18 C17 -179.6(3) . . . . ?
P1 C13 C14 C15 -179.8(3) . . . . ?
P1 C6 C5 C43 0.6(7) . . . . ?
P1 C6 C5 C4 -178.1(3) . . . . ?
P1 C6 C1 C2 179.7(4) . . . . ?
C77 C76 C83 C81 -1.0(5) . . . . ?
C77 C76 B2 C52 49.2(4) . . . . ?
C77 C76 B2 C60 163.3(3) . . . . ?
C77 C76 B2 C68 -76.2(4) . . . . ?
C77 C78 C79 F13 -37.9(5) . . . . ?
C77 C78 C79 F14 -159.8(4) . . . . ?
C77 C78 C79 F15 78.3(5) . . . . ?
C77 C78 C80 C81 -0.6(5) . . . . ?
C53 C52 B2 C76 29.6(4) . . . . ?
C53 C52 B2 C60 -90.9(4) . . . . ?
C53 C52 B2 C68 147.5(3) . . . . ?
C53 C52 C59 C57 0.8(5) . . . . ?
C53 C54 C55 F8 122.0(5) . . . . ?
C53 C54 C55 F7 -6.4(7) . . . . ?
C53 C54 C55 F9 -123.6(5) . . . . ?
C52 C53 C54 C56 0.4(6) . . . . ?
C52 C53 C54 C55 -177.8(4) . . . . ?
C76 C77 C78 C79 -175.2(3) . . . . ?
C76 C77 C78 C80 0.3(5) . . . . ?
C76 C83 C81 C80 0.8(6) . . . . ?
C76 C83 C81 C82 178.0(4) . . . . ?
C60 C61 C62 C64 -0.8(5) . . . . ?
C60 C61 C62 C63 179.3(3) . . . . ?
C78 C77 C76 C83 0.5(5) . . . . ?
C78 C77 C76 B2 172.4(3) . . . . ?
C83 C76 B2 C52 -139.6(3) . . . . ?
C83 C76 B2 C60 -25.5(4) . . . . ?
C83 C76 B2 C68 95.0(4) . . . . ?
C83 C81 C80 C78 0.1(6) . . . . ?
C83 C81 C82 F17 47.1(5) . . . . ?
C83 C81 C82 F18 -69.4(5) . . . . ?
C83 C81 C82 F16 167.2(4) . . . . ?
C25 P2 C24 C19 88.2(3) . . . . ?
C25 P2 C24 C23 -92.4(3) . . . . ?
C25 P2 C31 C36 -151.2(3) . . . . ?
C25 P2 C31 C32 27.6(4) . . . . ?
C25 C26 C27 C28 -1.0(6) . . . . ?
C25 C30 C49 C51 140.5(4) . . . . ?
C25 C30 C49 C50 -95.6(5) . . . . ?
C25 C30 C29 C28 -0.3(7) . . . . ?
C26 C25 C30 C49 179.9(4) . . . . ?
C26 C25 C30 C29 1.7(6) . . . . ?
C26 C27 C28 C29 2.4(7) . . . . ?
C7 P1 C13 C18 66.9(3) . . . . ?
C7 P1 C13 C14 -112.2(3) . . . . ?
C7 P1 C6 C5 -20.7(4) . . . . ?
C7 P1 C6 C1 163.0(3) . . . . ?
C7 P1 C6 Rh1A -137.0(3) . . . . ?
C7 P1 Rh1A P2 -102.3(3) . . . . ?
C7 P1 Rh1A C6 110.7(3) . . . . ?
C7 P1 Rh1A C39 -29.1(14) . . . . ?
C7 P1 Rh1A B1 30.2(8) . . . . ?
C7 C12 C11 C10 -1.5(6) . . . . ?
C13 P1 C7 C8 45.6(3) . . . . ?
C13 P1 C7 C12 -135.0(3) . . . . ?
C13 P1 C6 C5 -123.3(4) . . . . ?
C13 P1 C6 C1 60.3(3) . . . . ?
C13 P1 C6 Rh1A 120.4(3) . . . . ?
C13 P1 Rh1A P2 43.3(3) . . . . ?
C13 P1 Rh1A C6 -103.7(2) . . . . ?
C13 P1 Rh1A C39 116.5(11) . . . . ?
C13 P1 Rh1A B1 175.8(5) . . . . ?
C13 C14 C15 C16 -1.3(6) . . . . ?
C69 C68 C75 C73 -0.7(6) . . . . ?
C69 C68 B2 C52 -24.6(5) . . . . ?
C69 C68 B2 C76 98.8(4) . . . . ?
C69 C68 B2 C60 -140.4(3) . . . . ?
C69 C70 C71 F19 -21.7(6) . . . . ?
C69 C70 C71 F21 -141.6(4) . . . . ?
C69 C70 C71 F20 99.2(4) . . . . ?
C69 C70 C72 C73 0.2(6) . . . . ?
C65 C64 C62 C61 1.0(5) . . . . ?
C65 C64 C62 C63 -179.1(4) . . . . ?
C68 C69 C70 C71 -179.9(4) . . . . ?
C68 C69 C70 C72 -0.5(6) . . . . ?
C24 P2 C25 C26 10.1(3) . . . . ?
C24 P2 C25 C30 -179.9(3) . . . . ?
C24 P2 C31 C36 103.5(3) . . . . ?
C24 P2 C31 C32 -77.8(4) . . . . ?
C9 C10 C11 C12 -1.3(6) . . . . ?
C67 C60 C61 C62 0.4(5) . . . . ?
C67 C60 B2 C52 -97.5(4) . . . . ?
C67 C60 B2 C76 141.7(3) . . . . ?
C67 C60 B2 C68 26.8(4) . . . . ?
C67 C65 C64 C62 -0.9(5) . . . . ?
C67 C65 C66 F1 20.1(8) . . . . ?
C67 C65 C66 F2 151.9(8) . . . . ?
C67 C65 C66 F3 -92.5(6) . . . . ?
C67 C65 C66 F2A 84.3(9) . . . . ?
C67 C65 C66 F1A -35.9(16) . . . . ?
C67 C65 C66 F3A -170.6(8) . . . . ?
C56 C57 C58 F12 -143.8(4) . . . . ?
C56 C57 C58 F10 -24.3(5) . . . . ?
C56 C57 C58 F11 98.1(5) . . . . ?
C56 C57 C59 C52 0.3(5) . . . . ?
C56 C54 C55 F8 -56.3(6) . . . . ?
C56 C54 C55 F7 175.3(5) . . . . ?
C56 C54 C55 F9 58.1(6) . . . . ?
C75 C73 C74 F23 168.9(4) . . . . ?
C75 C73 C74 F22 44.9(6) . . . . ?
C75 C73 C74 F24 -72.1(6) . . . . ?
C75 C73 C72 C70 -0.2(6) . . . . ?
C75 C68 B2 C52 163.7(3) . . . . ?
C75 C68 B2 C76 -72.9(4) . . . . ?
C75 C68 B2 C60 47.9(4) . . . . ?
C64 C65 C67 C60 0.6(6) . . . . ?
C64 C65 C66 F1 -161.2(6) . . . . ?
C64 C65 C66 F2 -29.3(10) . . . . ?
C64 C65 C66 F3 86.3(6) . . . . ?
C64 C65 C66 F2A -97.0(9) . . . . ?
C64 C65 C66 F1A 142.9(15) . . . . ?
C64 C65 C66 F3A 8.2(9) . . . . ?
C64 C62 C63 F4 -82.7(5) . . . . ?
C64 C62 C63 F6 32.1(5) . . . . ?
C64 C62 C63 F5 153.5(5) . . . . ?
C79 C78 C80 C81 174.8(4) . . . . ?
C70 C69 C68 C75 0.7(5) . . . . ?
C70 C69 C68 B2 -171.2(4) . . . . ?
C61 C60 C67 C65 -0.4(5) . . . . ?
C61 C60 B2 C52 73.4(4) . . . . ?
C61 C60 B2 C76 -47.4(4) . . . . ?
C61 C60 B2 C68 -162.4(3) . . . . ?
C61 C62 C63 F4 97.2(5) . . . . ?
C61 C62 C63 F6 -148.0(4) . . . . ?
C61 C62 C63 F5 -26.6(6) . . . . ?
B2 C52 C59 C57 -167.9(3) . . . . ?
B2 C76 C83 C81 -172.6(3) . . . . ?
B2 C60 C67 C65 170.9(3) . . . . ?
B2 C60 C61 C62 -171.0(3) . . . . ?
B2 C68 C75 C73 171.8(4) . . . . ?
C17 C16 C15 C14 0.7(6) . . . . ?
C18 O1 C19 C24 -81.1(4) . . . . ?
C18 O1 C19 C20 104.6(4) . . . . ?
C18 C13 C14 C15 1.2(5) . . . . ?
C18 C17 C16 C15 0.1(6) . . . . ?
C8 C7 C12 C46 -176.0(3) . . . . ?
C8 C7 C12 C11 3.7(5) . . . . ?
C8 C9 C10 C11 1.9(6) . . . . ?
C57 C56 C54 C53 0.7(6) . . . . ?
C57 C56 C54 C55 179.0(4) . . . . ?
C58 C57 C59 C52 175.7(3) . . . . ?
C27 C28 C29 C30 -1.7(8) . . . . ?
C46 C12 C11 C10 178.2(4) . . . . ?
C74 C73 C75 C68 -179.7(4) . . . . ?
C74 C73 C72 C70 180.0(4) . . . . ?
C54 C53 C52 B2 167.5(3) . . . . ?
C54 C53 C52 C59 -1.1(5) . . . . ?
C54 C56 C57 C58 -176.4(3) . . . . ?
C54 C56 C57 C59 -1.0(5) . . . . ?
C80 C78 C79 F13 146.6(4) . . . . ?
C80 C78 C79 F14 24.7(5) . . . . ?
C80 C78 C79 F15 -97.1(5) . . . . ?
C80 C81 C82 F17 -135.7(4) . . . . ?
C80 C81 C82 F18 107.9(5) . . . . ?
C80 C81 C82 F16 -15.5(6) . . . . ?
C35 C34 C33 C32 -1.3(8) . . . . ?
C31 P2 C25 C26 -94.5(3) . . . . ?
C31 P2 C25 C30 75.6(4) . . . . ?
C31 P2 C24 C19 -168.4(3) . . . . ?
C31 P2 C24 C23 11.0(3) . . . . ?
C31 C32 C33 C34 0.4(8) . . . . ?
C37 C39 B1 N1 -176.6(3) . . . . ?
C37 C39 B1 Rh1A 82.0(4) . . . . ?
C19 O1 C18 C13 141.2(3) . . . . ?
C19 O1 C18 C17 -43.2(4) . . . . ?
C19 C24 C23 C22 -0.9(5) . . . . ?
C19 C20 C21 C22 -1.2(6) . . . . ?
C14 C13 C18 O1 175.2(3) . . . . ?
C14 C13 C18 C17 -0.4(5) . . . . ?
C10 C9 C8 C7 0.3(6) . . . . ?
C59 C52 B2 C76 -162.3(3) . . . . ?
C59 C52 B2 C60 77.1(4) . . . . ?
C59 C52 B2 C68 -44.4(5) . . . . ?
C59 C57 C58 F12 40.7(5) . . . . ?
C59 C57 C58 F10 160.2(4) . . . . ?
C59 C57 C58 F11 -77.4(5) . . . . ?
C82 C81 C80 C78 -177.1(4) . . . . ?
C6 P1 C7 C8 -60.9(3) . . . . ?
C6 P1 C7 C12 118.6(3) . . . . ?
C6 P1 C13 C18 176.0(3) . . . . ?
C6 P1 C13 C14 -3.1(4) . . . . ?
C6 P1 Rh1A P2 147.0(2) . . . . ?
C6 P1 Rh1A C39 -139.8(12) . . . . ?
C6 P1 Rh1A B1 -80.5(6) . . . . ?
C6 C5 C43 C44 -114.1(5) . . . . ?
C6 C5 C43 C45 120.8(5) . . . . ?
C6 C5 C4 C3 0.5(7) . . . . ?
C6 C1 C2 C3 -1.9(7) . . . . ?
C34 C35 C36 C31 -2.9(7) . . . . ?
C34 C35 C36 C37 174.1(4) . . . . ?
C23 C24 C19 O1 -173.9(3) . . . . ?
C23 C24 C19 C20 0.3(5) . . . . ?
C23 C22 C21 C20 0.6(6) . . . . ?
C12 C7 C8 C9 -3.2(5) . . . . ?
C71 C70 C72 C73 179.6(4) . . . . ?
C36 C35 C34 C33 2.6(8) . . . . ?
C36 C31 C32 C33 -0.8(7) . . . . ?
C36 C37 C39 Rh1 -108.2(3) . . . . ?
C36 C37 C39 B1 -174.1(3) . . . . ?
C36 C37 C39 Rh1A -107.9(3) . . . . ?
C16 C17 C18 O1 -175.5(3) . . . . ?
C16 C17 C18 C13 -0.2(5) . . . . ?
C48 C46 C12 C7 121.7(4) . . . . ?
C48 C46 C12 C11 -57.9(5) . . . . ?
C30 C25 C26 C27 -1.1(6) . . . . ?
C5 C6 C1 C2 2.9(6) . . . . ?
C1 C6 C5 C43 176.6(4) . . . . ?
C1 C6 C5 C4 -2.1(6) . . . . ?
C1 C2 C3 C4 0.2(8) . . . . ?
C43 C5 C4 C3 -178.4(5) . . . . ?
C66 C65 C67 C60 179.4(4) . . . . ?
C66 C65 C64 C62 -179.7(4) . . . . ?
C40 N1 B1 C39 79.9(4) . . . . ?
C40 N1 B1 Rh1A 162.5(4) . . . . ?
C38 C37 C36 C35 73.3(5) . . . . ?
C38 C37 C36 C31 -109.7(4) . . . . ?
C38 C37 C39 Rh1 93.8(3) . . . . ?
C38 C37 C39 B1 27.9(6) . . . . ?
C38 C37 C39 Rh1A 94.1(4) . . . . ?
C72 C73 C75 C68 0.5(6) . . . . ?
C72 C73 C74 F23 -11.3(7) . . . . ?
C72 C73 C74 F22 -135.3(5) . . . . ?
C72 C73 C74 F24 107.7(5) . . . . ?
C72 C70 C71 F19 158.9(4) . . . . ?
C72 C70 C71 F21 39.0(5) . . . . ?
C72 C70 C71 F20 -80.2(5) . . . . ?
C32 C31 C36 C35 2.0(6) . . . . ?
C32 C31 C36 C37 -175.0(4) . . . . ?
C21 C20 C19 O1 175.0(3) . . . . ?
C21 C20 C19 C24 0.7(5) . . . . ?
C21 C22 C23 C24 0.5(6) . . . . ?
C39 C37 C36 C35 -86.9(5) . . . . ?
C39 C37 C36 C31 90.1(4) . . . . ?
C47 C46 C12 C7 -113.6(4) . . . . ?
C47 C46 C12 C11 66.7(5) . . . . ?
C49 C30 C29 C28 -178.6(5) . . . . ?
C42 N1 B1 C39 -162.8(4) . . . . ?
C42 N1 B1 Rh1A -80.2(4) . . . . ?
C29 C30 C49 C51 -41.4(6) . . . . ?
C29 C30 C49 C50 82.6(5) . . . . ?
C2 C3 C4 C5 0.5(8) . . . . ?
C41 N1 B1 C39 -40.9(5) . . . . ?
C41 N1 B1 Rh1A 41.7(5) . . . . ?
C4 C5 C43 C44 64.6(6) . . . . ?
C4 C5 C43 C45 -60.5(5) . . . . ?
Rh1A P2 C25 C26 143.6(3) . . . . ?
Rh1A P2 C25 C30 -46.3(4) . . . . ?
Rh1A P2 C24 C19 -36.9(4) . . . . ?
Rh1A P2 C24 C23 142.5(3) . . . . ?
Rh1A P2 C31 C36 -32.9(4) . . . . ?
Rh1A P2 C31 C32 145.8(4) . . . . ?
Rh1A P1 C7 C8 -164.0(4) . . . . ?
Rh1A P1 C7 C12 15.5(5) . . . . ?
Rh1A P1 C13 C18 -89.5(4) . . . . ?
Rh1A P1 C13 C14 91.4(4) . . . . ?
Rh1A P1 C6 C5 116.3(5) . . . . ?
Rh1A P1 C6 C1 -60.0(4) . . . . ?
Rh1A C6 C5 C43 65.5(6) . . . . ?
Rh1A C6 C5 C4 -113.2(5) . . . . ?
Rh1A C6 C1 C2 140.2(5) . . . . ?
Rh1A C39 B1 N1 101.4(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
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Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
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sin_theta_over_lambda_max

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