# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_exp_4230
_audit_block_doi                 10.5517/ccdc.csd.cc24klt4
_database_code_depnum_ccdc_archive 'CCDC 1983126'
loop_
_citation_id
_citation_doi
_citation_year
1 10.1039/D0CC01140A 2020
loop_
_audit_author_name
_audit_author_address
'Alasdair McKay'
;University of Oxford
United Kingdom
;
_audit_update_record             
;
2020-02-10 deposited with the CCDC.	2020-03-23 downloaded from the CCDC.
;
_audit_creation_date             2020-02-10
_audit_creation_method           
;
Olex2 1.3
(compiled Nov 21 2019 18:26:39 for OlexSys, GUI svn.r6003)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C30 H58 O P2 Rh, C32 H12 B F24'
_chemical_formula_sum            'C62 H70 B F24 O P2 Rh'
_chemical_formula_weight         1462.84
_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                   12.8770(13)
_cell_length_b                   13.5514(7)
_cell_length_c                   19.2488(13)
_cell_angle_alpha                91.699(5)
_cell_angle_beta                 95.671(7)
_cell_angle_gamma                98.347(6)
_cell_volume                     3303.8(4)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    4429
_cell_measurement_temperature    150.01(10)
_cell_measurement_theta_max      74.1170
_cell_measurement_theta_min      3.4640
_shelx_estimated_absorpt_T_max   0.540
_shelx_estimated_absorpt_T_min   0.419
_exptl_absorpt_coefficient_mu    3.510
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.88597
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'dark brown'
_exptl_crystal_colour_lustre     .
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.470
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1492
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0943
_diffrn_reflns_av_unetI/netI     0.0952
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.972
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            36581
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.972
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.851
_diffrn_reflns_theta_min         3.943
_diffrn_ambient_temperature      150.01
_diffrn_detector_area_resol_mean 10.5035
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -48.00  32.00   1.00    7.50    --  -41.40  37.00  30.00   80
  2  ω    -41.00 -12.00   1.00    7.50    --  -41.40 -77.00   0.00   29
  3  ω    -13.00  32.00   1.00    7.50    --  -41.40  37.00-180.00   45
  4  ω     31.00  96.00   1.00    7.50    --   41.40-125.00 -90.00   65
  5  ω    -79.00 -18.00   1.00    7.50    --  -41.40 125.00  60.00   61
  6  ω   -120.00  -4.00   1.00    7.50    --  -41.40 -19.00-150.00  116
  7  ω     64.00 108.00   1.00   30.00    --  111.00 -94.00-150.00   44
  8  ω     94.00 120.00   1.00   30.00    --  111.00-125.00-120.00   26
  9  ω     88.00 121.00   1.00   30.00    --  111.00-125.00 -30.00   33
 10  ω    100.00 141.00   1.00   30.00    --  111.00 -77.00 -30.00   41
 11  ω    102.00 176.00   1.00   30.00    --  111.00  15.00 -60.00   74
 12  ω    141.00 178.00   1.00   30.00    --  111.00  30.00-120.00   37
 13  ω    137.00 177.00   1.00   30.00    --  111.00  77.00-180.00   40
 14  ω    125.00 171.00   1.00   30.00    --  111.00 125.00 -90.00   46
 15  ω    122.00 178.00   1.00   30.00    --  111.00  30.00-150.00   56
 16  ω    107.00 143.00   1.00   30.00    --  111.00  15.00-180.00   36
 17  ω     91.00 120.00   1.00   30.00    --  111.00  30.00-150.00   29
 18  ω     81.00 129.00   1.00   30.00    --  111.00  77.00-180.00   48
 19  ω     68.00  93.00   1.00   30.00    --  111.00  15.00-180.00   25
 20  ω     48.00  90.00   1.00   30.00    --  111.00 -30.00-120.00   42
 21  ω     65.00  99.00   1.00   30.00    --  111.00 -45.00 -90.00   34
 22  ω     69.00  99.00   1.00   30.00    --  111.00 -45.00 -60.00   30
 23  ω     65.00  90.00   1.00   30.00    --  111.00 -30.00 -60.00   25
 24  ω     58.00  98.00   1.00   30.00    --  111.00 -45.00   0.00   40
 25  ω     51.00  78.00   1.00   30.00    --  111.00 -77.00 -30.00   27
 26  ω     50.00  94.00   1.00   30.00    --  111.00 -94.00 -30.00   44
 27  ω     79.00 121.00   1.00   30.00    --  111.00-125.00  60.00   42
 28  ω     91.00 116.00   1.00   30.00    --  111.00-125.00 120.00   25
 29  ω     91.00 121.00   1.00   30.00    --  111.00-125.00 150.00   30
 30  ω     64.00  91.00   1.00   30.00    --  111.00-125.00  90.00   27
 31  ω     64.00 106.00   1.00   30.00    --  111.00 -94.00 120.00   42
 32  ω     54.00  81.00   1.00   30.00    --  111.00-125.00 120.00   27
 33  ω     40.00  79.00   1.00   30.00    --  111.00 -45.00  60.00   39
 34  ω     68.00 114.00   1.00   30.00    --  111.00  15.00  60.00   46
 35  ω    130.00 157.00   1.00   30.00    --  111.00  15.00  60.00   27
 36  ω     42.00  69.00   1.00   30.00    --  111.00 -45.00-150.00   27
 37  ω     41.00 112.00   1.00   30.00    --  111.00 -61.00-180.00   71
 38  ω     44.00  87.00   1.00   30.00    --  111.00-125.00-180.00   43
 39  ω     30.00  83.00   1.00   30.00    --  111.00 -94.00-180.00   53
 40  ω     36.00  89.00   1.00   30.00    --  111.00 -30.00-180.00   53
 41  ω     41.00  68.00   1.00   30.00    --  111.00 -45.00 -60.00   27
 42  ω     34.00 106.00   1.00   30.00    --  111.00 -94.00 -60.00   72
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, 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                8537
_reflns_number_total             13564
_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 1.171.38.43b (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43b (Rigaku OD, 2015)'
_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    
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_refine_diff_density_max         1.588
_refine_diff_density_min         -1.380
_refine_diff_density_rms         0.138
_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     989
_refine_ls_number_reflns         13564
_refine_ls_number_restraints     601
_refine_ls_R_factor_all          0.1406
_refine_ls_R_factor_gt           0.0900
_refine_ls_restrained_S_all      1.031
_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)+(0.1457P)²+12.1282P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2537
_refine_ls_wR_factor_ref         0.2993
_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
 F17-F18 \\sim F18-F16 \\sim F16-F17 \\sim F16A-F18A \\sim F18A-F17A \\sim
F17A-F16A
 with sigma of 0.04
 C54-F16 \\sim C54-F18 \\sim C54-F17 \\sim C54-F17A \\sim C54-F18A \\sim
C54-F16A
 with sigma of 0.02
 F14-F13 \\sim F14-F15 \\sim F13-F15 \\sim F13A-F14A \\sim F13A-F15A \\sim
F14A-F15A
 with sigma of 0.04
 C53-F14 \\sim C53-F13 \\sim C53-F15 \\sim C53-F13A \\sim C53-F14A \\sim
C53-F15A
 with sigma of 0.02
 F6-F5 \\sim F6-F4 \\sim F5-F4 \\sim F6A-F4A \\sim F6A-F5A \\sim F4A-F5A
 with sigma of 0.04
 C37-F6 \\sim C37-F5 \\sim C37-F4 \\sim C37-F6A \\sim C37-F4A \\sim C37-F5A
 with sigma of 0.02
 F11-F10 \\sim F11-F12 \\sim F10-F12 \\sim F11A-F10A \\sim F11A-F12A \\sim
F10A-F12A
 with sigma of 0.04
 C46-F11 \\sim C46-F10 \\sim C46-F12 \\sim C46-F11A \\sim C46-F10A \\sim
C46-F12A
 with sigma of 0.02
 P2-C21 \\sim P2-C21A
 with sigma of 0.02
 C26A-C21A \\sim C22A-C21A \\sim C26-C21 \\sim C22-C21
 with sigma of 0.02
 C26-C25 \\sim C26A-C25A \\sim C23-C22 \\sim C23A-C22A
 with sigma of 0.02
 C24-C23 \\sim C24A-C23A \\sim C25-C24 \\sim C25A-C24A
 with sigma of 0.02
 C21-C23 \\sim C23-C25 \\sim C25-C21 \\sim C21A-C23A \\sim C23A-C25A \\sim
C25A-C21A
 with sigma of 0.02
 C22-C24 \\sim C24-C26 \\sim C26-C22 \\sim C22A-C24A \\sim C24A-C26A \\sim
C26A-C22A
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C54 \\sim F17 \\sim F18 \\sim F16: within 2A with sigma of 0.04 and sigma for
terminal atoms of 0.08 within 2A
C54 \\sim F16A \\sim F18A \\sim F17A: within 2A with sigma of 0.04 and sigma
for terminal atoms of 0.08 within 2A
C37 \\sim F4A \\sim F6A \\sim F5A: within 2A with sigma of 0.04 and sigma for
terminal atoms of 0.08 within 2A
C37 \\sim F4 \\sim F5 \\sim F6: within 2A with sigma of 0.04 and sigma for
terminal atoms of 0.08 within 2A
C46 \\sim F11 \\sim F12 \\sim F10: within 2A with sigma of 0.04 and sigma for
terminal atoms of 0.08 within 2A
C46 \\sim F11A \\sim F12A \\sim F10A: within 2A with sigma of 0.04 and sigma
for terminal atoms of 0.08 within 2A
P2 \\sim C21 \\sim C22 \\sim C23 \\sim C24 \\sim C25 \\sim C26: within 2A with
sigma of 0.04 and sigma for terminal atoms of 0.08 within 2A
P2 \\sim C21A \\sim C22A \\sim C23A \\sim C24A \\sim C25A \\sim C26A: within 2A
with sigma of 0.04 and sigma for terminal atoms of 0.08 within 2A
Uanis(F16) \\sim Ueq, Uanis(F16A) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
4. Rigid body (RIGU) restrains
 C53, F13, F14, F15
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C53, F15A, F13A, F14A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C54, F17, F18, F16
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C54, F16A, F18A, F17A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C37, F5, F6, F4
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C37, F4A, F5A, F6A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C46, F10A, F11A, F12A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C46, F11, F10, F12
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 P2, C21, C22, C23, C24, C25, C26
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 P2, C21A, C22A, C23A, C24A, C25A, C26A
 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(F14)=Sof(F13)=Sof(F15)=FVAR(1)
 Sof(F17A)=Sof(F18A)=Sof(F16A)=1-FVAR(2)
 Sof(F16)=Sof(F18)=Sof(F17)=FVAR(2)
 Sof(F6A)=Sof(F4A)=Sof(F5A)=1-FVAR(3)
 Sof(F6)=Sof(F5)=Sof(F4)=FVAR(3)
 Sof(F11A)=Sof(F10A)=Sof(F12A)=1-FVAR(4)
 Sof(F11)=Sof(F10)=Sof(F12)=FVAR(4)
 Sof(C21A)=Sof(H21A)=Sof(C26A)=Sof(H26C)=Sof(H26D)=Sof(C25A)=Sof(H25C)=
 Sof(H25D)=Sof(C24A)=Sof(H24C)=Sof(H24D)=Sof(C23A)=Sof(H23C)=Sof(H23D)=
 Sof(C22A)=Sof(H22C)=Sof(H22D)=1-FVAR(5)
 Sof(C22)=Sof(H22A)=Sof(H22B)=Sof(C21)=Sof(H21)=Sof(C23)=Sof(H23A)=Sof(H23B)=
 Sof(C24)=Sof(H24A)=Sof(H24B)=Sof(C26)=Sof(H26A)=Sof(H26B)=Sof(C25)=Sof(H25A)=
 Sof(H25B)=FVAR(5)
6.a Ternary CH refined with riding coordinates:
 C1(H1), C15(H15), C7(H7), C21(H21), C21A(H21A)
6.b Secondary CH2 refined with riding coordinates:
 C13(H13A,H13B), C14(H14A,H14B), C6(H6A,H6B), C28(H28A,H28B), C19(H19A,H19B),
 C12(H12A,H12B), C10(H10A,H10B), C5(H5A,H5B), C2(H2A,H2B), C20(H20A,H20B),
 C9(H9A,H9B), C29(H29A,H29B), C16(H16A,H16B), C18(H18A,H18B), C8(H8A,H8B),
 C4(H4A,H4B), C17(H17A,H17B), C22(H22A,H22B), C3(H3A,H3B), C11(H11A,H11B),
 C23(H23A,H23B), C24(H24A,H24B), C26(H26A,H26B), C25(H25A,H25B), C26A(H26C,
 H26D), C25A(H25C,H25D), C24A(H24C,H24D), C23A(H23C,H23D), C22A(H22C,H22D)
6.c Aromatic/amide H refined with riding coordinates:
 C32(H32), C36(H36), C40(H40), C48(H48), C52(H52), C56(H56), C34(H34),
 C44(H44), C60(H60), C50(H50), C58(H58), C42(H42)
6.d Idealised Me refined as rotating group:
 C27(H27A,H27B,H27C), C30(H30A,H30B,H30C)
;
_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 0.71661(5) 0.69865(4) 0.27235(3) 0.0465(2) Uani 1 1 d . . . . .
P1 P 0.72233(17) 0.86010(14) 0.28094(10) 0.0433(4) Uani 1 1 d . . . . .
P2 P 0.88076(17) 0.73298(15) 0.24890(11) 0.0474(5) Uani 1 1 d D U . . .
F1 F 0.3073(6) 0.5171(4) 0.4696(3) 0.0762(17) Uani 1 1 d . . . . .
F3 F 0.3976(6) 0.4425(5) 0.5441(3) 0.0810(18) Uani 1 1 d . . . . .
O1 O 0.5575(5) 0.6312(4) 0.2941(3) 0.0524(13) Uani 1 1 d . . . . .
F20 F 0.1978(6) -0.1076(5) 0.3420(4) 0.089(2) Uani 1 1 d . . . . .
F2 F 0.2361(5) 0.3818(5) 0.5091(3) 0.0797(18) Uani 1 1 d . . . . .
F6 F 0.588(4) 0.1468(10) 0.3968(17) 0.086(7) Uani 0.54(5) 1 d D U P A 1
F21 F 0.3555(6) -0.1028(6) 0.3222(5) 0.108(3) Uani 1 1 d . . . . .
F11 F 0.493(3) 0.337(2) 0.0078(11) 0.096(6) Uani 0.49(7) 1 d D U P B 1
C31 C 0.3160(6) 0.2824(5) 0.3139(4) 0.0409(16) Uani 1 1 d . . . . .
F5 F 0.6349(19) 0.2576(19) 0.3280(10) 0.075(5) Uani 0.54(5) 1 d D U P A 1
F9 F 0.2016(9) 0.6231(5) 0.1789(4) 0.114(3) Uani 1 1 d . . . . .
F22 F 0.1092(7) -0.0225(8) 0.0166(4) 0.116(3) Uani 1 1 d . . . . .
F23 F 0.2621(7) 0.0524(7) 0.0046(4) 0.110(3) Uani 1 1 d . . . . .
C32 C 0.4153(6) 0.2510(5) 0.3235(4) 0.0439(16) Uani 1 1 d . . . . .
H32 H 0.434992 0.208871 0.288298 0.053 Uiso 1 1 calc R U . . .
C39 C 0.2824(7) 0.3347(6) 0.1869(4) 0.0452(17) Uani 1 1 d . . . . .
C1 C 0.6202(7) 0.9111(5) 0.2253(4) 0.0472(17) Uani 1 1 d . . . . .
H1 H 0.552290 0.890417 0.245571 0.057 Uiso 1 1 calc R U . . .
F19 F 0.2344(8) -0.2059(5) 0.2646(5) 0.116(3) Uani 1 1 d . . . . .
C36 C 0.2931(7) 0.3441(5) 0.3681(4) 0.0428(16) Uani 1 1 d . . . . .
H36 H 0.228391 0.370377 0.363366 0.051 Uiso 1 1 calc R U . . .
C40 C 0.2431(7) 0.4248(6) 0.1772(4) 0.0495(18) Uani 1 1 d . . . . .
H40 H 0.184945 0.437439 0.201047 0.059 Uiso 1 1 calc R U . . .
F24 F 0.2404(9) -0.1013(7) 0.0251(4) 0.125(3) Uani 1 1 d . . . . .
F10 F 0.568(2) 0.4676(16) 0.0696(19) 0.084(6) Uani 0.49(7) 1 d D U P B 1
F16 F -0.1678(10) 0.1820(16) 0.4043(10) 0.110(6) Uani 0.579(19) 1 d D U P C 1
C35 C 0.3614(7) 0.3687(5) 0.4288(4) 0.0466(17) Uani 1 1 d . . . . .
C33 C 0.4854(7) 0.2789(6) 0.3820(4) 0.0465(17) Uani 1 1 d . . . . .
C48 C 0.0389(7) 0.2697(6) 0.1987(5) 0.0501(19) Uani 1 1 d . . . . .
H48 H 0.062272 0.286670 0.154673 0.060 Uiso 1 1 calc R U . . .
C47 C 0.1132(6) 0.2523(5) 0.2522(4) 0.0429(16) Uani 1 1 d . . . . .
C13 C 0.8457(7) 0.9285(6) 0.2550(5) 0.052(2) Uani 1 1 d . . . . .
H13A H 0.836702 0.941356 0.204602 0.062 Uiso 1 1 calc R U . . .
H13B H 0.862863 0.993616 0.281408 0.062 Uiso 1 1 calc R U . . .
C15 C 0.9759(7) 0.6655(6) 0.2982(5) 0.0506(19) Uani 1 1 d . . . . .
H15 H 1.048102 0.698489 0.290170 0.061 Uiso 1 1 calc R U . . .
F4 F 0.663(2) 0.291(3) 0.4362(17) 0.135(11) Uani 0.54(5) 1 d D U P A 1
C14 C 0.9358(7) 0.8678(6) 0.2698(5) 0.057(2) Uani 1 1 d . . . . .
H14A H 0.964787 0.877453 0.319502 0.069 Uiso 1 1 calc R U . . .
H14B H 0.993120 0.889360 0.240446 0.069 Uiso 1 1 calc R U . . .
C55 C 0.2423(6) 0.1382(6) 0.2128(4) 0.0446(17) Uani 1 1 d . . . . .
C52 C 0.0728(7) 0.2238(6) 0.3149(5) 0.0478(18) Uani 1 1 d . . . . .
H52 H 0.119562 0.208211 0.352961 0.057 Uiso 1 1 calc R U . . .
C41 C 0.2864(8) 0.4969(6) 0.1335(5) 0.055(2) Uani 1 1 d . . . . .
F18 F -0.0448(13) 0.0967(8) 0.4083(7) 0.082(4) Uani 0.579(19) 1 d D U P C 1
C6 C 0.6346(8) 1.0245(6) 0.2242(5) 0.057(2) Uani 1 1 d . . . . .
H6A H 0.701363 1.048990 0.204601 0.069 Uiso 1 1 calc R U . . .
H6B H 0.639249 1.052976 0.272534 0.069 Uiso 1 1 calc R U . . .
C56 C 0.2514(6) 0.0630(5) 0.2596(4) 0.0461(17) Uani 1 1 d . . . . .
H56 H 0.261278 0.080125 0.308229 0.055 Uiso 1 1 calc R U . . .
C49 C -0.0680(7) 0.2635(7) 0.2060(5) 0.057(2) Uani 1 1 d . . . . .
C28 C 0.5563(8) 0.5255(7) 0.2848(5) 0.061(2) Uani 1 1 d . . . . .
H28A H 0.512604 0.499170 0.241194 0.074 Uiso 1 1 calc R U . . .
H28B H 0.527664 0.490075 0.324674 0.074 Uiso 1 1 calc R U . . .
C34 C 0.4587(7) 0.3370(6) 0.4368(4) 0.0478(17) Uani 1 1 d . . . . .
H34 H 0.505693 0.354023 0.478034 0.057 Uiso 1 1 calc R U . . .
C59 C 0.2245(7) 0.0105(7) 0.1179(5) 0.062(2) Uani 1 1 d . . . . .
C43 C 0.4156(8) 0.3954(8) 0.1095(5) 0.059(2) Uani 1 1 d . . . . .
F12 F 0.573(3) 0.327(4) 0.113(2) 0.130(11) Uani 0.49(7) 1 d D U P B 1
C7 C 0.7098(8) 0.9103(6) 0.3698(4) 0.0520(19) Uani 1 1 d . . . . .
H7 H 0.709144 0.983796 0.366742 0.062 Uiso 1 1 calc R U . . .
C51 C -0.0341(8) 0.2179(6) 0.3225(5) 0.055(2) Uani 1 1 d . . . . .
C37 C 0.5913(7) 0.2439(6) 0.3885(4) 0.0611(19) Uani 1 1 d D U . . .
C44 C 0.3702(7) 0.3239(7) 0.1523(4) 0.0502(18) Uani 1 1 d . . . . .
H44 H 0.400868 0.264603 0.158249 0.060 Uiso 1 1 calc R U . . .
C19 C 1.0483(8) 0.5029(7) 0.3179(6) 0.065(2) Uani 1 1 d . . . . .
H19A H 1.039896 0.431658 0.302148 0.078 Uiso 1 1 calc R U . . .
H19B H 1.120609 0.534105 0.310666 0.078 Uiso 1 1 calc R U . . .
C60 C 0.2277(7) 0.1096(6) 0.1420(5) 0.0515(19) Uani 1 1 d . . . . .
H60 H 0.219567 0.159099 0.108808 0.062 Uiso 1 1 calc R U . . .
F8 F 0.1564(10) 0.5761(8) 0.0759(6) 0.161(5) Uani 1 1 d . . . . .
C38 C 0.3248(8) 0.4281(6) 0.4876(5) 0.056(2) Uani 1 1 d . . . . .
C12 C 0.8024(8) 0.8961(7) 0.4224(5) 0.060(2) Uani 1 1 d . . . . .
H12A H 0.869027 0.927992 0.405785 0.073 Uiso 1 1 calc R U . . .
H12B H 0.805832 0.823951 0.426202 0.073 Uiso 1 1 calc R U . . .
C10 C 0.6880(10) 0.9033(7) 0.5205(5) 0.071(3) Uani 1 1 d . . . . .
H10A H 0.680461 0.940094 0.564460 0.086 Uiso 1 1 calc R U . . .
H10B H 0.687783 0.832240 0.530949 0.086 Uiso 1 1 calc R U . . .
C50 C -0.1069(7) 0.2383(7) 0.2696(6) 0.062(2) Uani 1 1 d . . . . .
H50 H -0.179534 0.235386 0.275898 0.075 Uiso 1 1 calc R U . . .
C58 C 0.2326(7) -0.0634(7) 0.1660(6) 0.063(2) Uani 1 1 d . . . . .
H58 H 0.228765 -0.131098 0.150190 0.075 Uiso 1 1 calc R U . . .
C57 C 0.2464(7) -0.0380(6) 0.2372(5) 0.056(2) Uani 1 1 d . . . . .
C42 C 0.3742(8) 0.4825(7) 0.0991(5) 0.062(2) Uani 1 1 d . . . . .
H42 H 0.404324 0.531335 0.069609 0.074 Uiso 1 1 calc R U . . .
F7 F 0.2993(9) 0.6647(7) 0.1038(7) 0.158(5) Uani 1 1 d . . . . .
F17 F -0.0065(11) 0.2390(10) 0.4480(5) 0.091(5) Uani 0.579(19) 1 d D U P C 1
B1 B 0.2370(7) 0.2536(6) 0.2417(4) 0.0417(18) Uani 1 1 d . . . . .
C5 C 0.5418(9) 1.0597(7) 0.1798(6) 0.066(3) Uani 1 1 d . . . . .
H5A H 0.475916 1.039836 0.201724 0.080 Uiso 1 1 calc R U . . .
H5B H 0.554010 1.133411 0.178835 0.080 Uiso 1 1 calc R U . . .
C2 C 0.6050(8) 0.8651(7) 0.1498(5) 0.058(2) Uani 1 1 d . . . . .
H2A H 0.670607 0.883029 0.127335 0.070 Uiso 1 1 calc R U . . .
H2B H 0.590575 0.791429 0.151088 0.070 Uiso 1 1 calc R U . . .
C20 C 0.9671(8) 0.5553(6) 0.2741(5) 0.054(2) Uani 1 1 d . . . . .
H20A H 0.979330 0.550735 0.224220 0.065 Uiso 1 1 calc R U . . .
H20B H 0.895028 0.520942 0.278762 0.065 Uiso 1 1 calc R U . . .
C9 C 0.5944(9) 0.9119(8) 0.4682(5) 0.066(2) Uani 1 1 d . . . . .
H9A H 0.586809 0.983159 0.463648 0.079 Uiso 1 1 calc R U . . .
H9B H 0.529299 0.877408 0.485358 0.079 Uiso 1 1 calc R U . . .
C29 C 0.4560(7) 0.6629(7) 0.2807(6) 0.060(2) Uani 1 1 d . . . . .
H29A H 0.423070 0.636352 0.233936 0.072 Uiso 1 1 calc R U . . .
H29B H 0.464916 0.736696 0.280649 0.072 Uiso 1 1 calc R U . . .
C61 C 0.2595(8) -0.1121(7) 0.2899(7) 0.068(3) Uani 1 1 d . . . . .
C16 C 0.9670(10) 0.6754(8) 0.3760(5) 0.071(3) Uani 1 1 d . . . . .
H16A H 0.894677 0.647283 0.385354 0.085 Uiso 1 1 calc R U . . .
H16B H 0.979146 0.747026 0.390959 0.085 Uiso 1 1 calc R U . . .
C18 C 1.0334(11) 0.5105(9) 0.3940(6) 0.077(3) Uani 1 1 d . . . . .
H18A H 1.085385 0.475742 0.421150 0.092 Uiso 1 1 calc R U . . .
H18B H 0.961801 0.477756 0.401456 0.092 Uiso 1 1 calc R U . . .
C46 C 0.5081(8) 0.3760(7) 0.0726(5) 0.080(2) Uani 1 1 d D U . . .
C8 C 0.6072(9) 0.8659(8) 0.3962(5) 0.065(2) Uani 1 1 d . . . . .
H8A H 0.605240 0.792926 0.399522 0.078 Uiso 1 1 calc R U . . .
H8B H 0.547439 0.877411 0.362474 0.078 Uiso 1 1 calc R U . . .
C4 C 0.5288(10) 1.0158(8) 0.1062(6) 0.074(3) Uani 1 1 d . . . . .
H4A H 0.592188 1.039745 0.082737 0.089 Uiso 1 1 calc R U . . .
H4B H 0.467034 1.037975 0.079654 0.089 Uiso 1 1 calc R U . . .
F14 F -0.1059(16) 0.301(3) 0.0880(10) 0.128(10) Uani 0.54(4) 1 d D . P D 1
C62 C 0.2090(10) -0.0161(9) 0.0416(6) 0.077(3) Uani 1 1 d . . . . .
C27 C 0.6694(9) 0.5126(7) 0.2812(7) 0.075(3) Uani 1 1 d . . . . .
H27A H 0.693786 0.541399 0.238520 0.113 Uiso 1 1 calc R U . . .
H27B H 0.675454 0.441321 0.280600 0.113 Uiso 1 1 calc R U . . .
H27C H 0.712741 0.546609 0.322060 0.113 Uiso 1 1 calc R U . . .
C54 C -0.0698(7) 0.1914(7) 0.3922(6) 0.077(2) Uani 1 1 d D U . . .
C45 C 0.2363(11) 0.5887(8) 0.1208(6) 0.072(3) Uani 1 1 d . . . . .
C53 C -0.1458(8) 0.2846(7) 0.1482(6) 0.075(2) Uani 1 1 d D . . . .
C17 C 1.0480(12) 0.6205(9) 0.4194(7) 0.092(4) Uani 1 1 d . . . . .
H17A H 1.120744 0.652581 0.413956 0.110 Uiso 1 1 calc R U . . .
H17B H 1.037229 0.625144 0.469512 0.110 Uiso 1 1 calc R U . . .
F13 F -0.2262(18) 0.2141(15) 0.1296(14) 0.112(8) Uani 0.54(4) 1 d D . P D 1
C22 C 0.8308(13) 0.6134(11) 0.1257(7) 0.061(4) Uani 0.656(16) 1 d D U P E 1
H22A H 0.757837 0.629118 0.123134 0.073 Uiso 0.656(16) 1 calc R U P E 1
H22B H 0.835145 0.555912 0.155799 0.073 Uiso 0.656(16) 1 calc R U P E 1
C3 C 0.5131(10) 0.9028(9) 0.1067(6) 0.076(3) Uani 1 1 d . . . . .
H3A H 0.507183 0.874873 0.058116 0.091 Uiso 1 1 calc R U . . .
H3B H 0.446372 0.879014 0.126570 0.091 Uiso 1 1 calc R U . . .
C11 C 0.7906(10) 0.9429(8) 0.4957(5) 0.074(3) Uani 1 1 d . . . . .
H11A H 0.848573 0.928113 0.529673 0.089 Uiso 1 1 calc R U . . .
H11B H 0.796397 1.016289 0.493086 0.089 Uiso 1 1 calc R U . . .
C21 C 0.9076(11) 0.7033(9) 0.1572(6) 0.047(3) Uani 0.656(16) 1 d D U P E 1
H21 H 0.980254 0.684727 0.159486 0.057 Uiso 0.656(16) 1 calc R U P E 1
F15 F -0.190(2) 0.3639(17) 0.1576(16) 0.134(10) Uani 0.54(4) 1 d D . P D 1
C30 C 0.3850(10) 0.6269(9) 0.3350(7) 0.085(4) Uani 1 1 d . . . . .
H30A H 0.320866 0.658260 0.329259 0.127 Uiso 1 1 calc R U . . .
H30B H 0.421802 0.644860 0.381691 0.127 Uiso 1 1 calc R U . . .
H30C H 0.365924 0.554238 0.329542 0.127 Uiso 1 1 calc R U . . .
C23 C 0.8574(14) 0.5858(10) 0.0512(6) 0.068(4) Uani 0.656(16) 1 d D U P E 1
H23A H 0.927862 0.564065 0.054287 0.082 Uiso 0.656(16) 1 calc R U P E 1
H23B H 0.804867 0.529561 0.030202 0.082 Uiso 0.656(16) 1 calc R U P E 1
C24 C 0.8569(17) 0.6745(11) 0.0052(7) 0.080(5) Uani 0.656(16) 1 d D U P E 1
H24A H 0.875997 0.655966 -0.041488 0.096 Uiso 0.656(16) 1 calc R U P E 1
H24B H 0.784961 0.692682 -0.000743 0.096 Uiso 0.656(16) 1 calc R U P E 1
C26 C 0.9052(12) 0.7932(9) 0.1099(6) 0.061(4) Uani 0.656(16) 1 d D U P E 1
H26A H 0.956462 0.850570 0.130587 0.073 Uiso 0.656(16) 1 calc R U P E 1
H26B H 0.833954 0.813195 0.106052 0.073 Uiso 0.656(16) 1 calc R U P E 1
C25 C 0.9336(15) 0.7634(11) 0.0363(7) 0.074(5) Uani 0.656(16) 1 d D U P E 1
H25A H 0.930926 0.820267 0.005383 0.089 Uiso 0.656(16) 1 calc R U P E 1
H25B H 1.006250 0.746708 0.040017 0.089 Uiso 0.656(16) 1 calc R U P E 1
F13A F -0.170(3) 0.2111(19) 0.1036(16) 0.145(13) Uani 0.46(4) 1 d D . P D 2
F14A F -0.1101(19) 0.362(2) 0.1151(18) 0.114(9) Uani 0.46(4) 1 d D . P D 2
F15A F -0.2323(18) 0.305(4) 0.1713(13) 0.142(13) Uani 0.46(4) 1 d D . P D 2
F17A F -0.0155(19) 0.144(3) 0.4344(13) 0.158(12) Uani 0.421(19) 1 d D U P C 2
F18A F -0.1711(10) 0.1425(13) 0.3784(9) 0.072(5) Uani 0.421(19) 1 d D U P C 2
F16A F -0.0978(19) 0.2768(11) 0.4216(9) 0.110(7) Uani 0.421(19) 1 d D U P C 2
F6A F 0.636(2) 0.255(2) 0.4540(8) 0.084(6) Uani 0.46(5) 1 d D U P A 2
F4A F 0.658(2) 0.288(3) 0.348(2) 0.121(11) Uani 0.46(5) 1 d D U P A 2
F5A F 0.579(3) 0.1460(10) 0.3747(18) 0.073(6) Uani 0.46(5) 1 d D U P A 2
F11A F 0.592(2) 0.447(2) 0.077(2) 0.100(7) Uani 0.51(7) 1 d D U P B 2
F10A F 0.541(3) 0.287(2) 0.086(2) 0.115(10) Uani 0.51(7) 1 d D U P B 2
F12A F 0.472(2) 0.362(2) 0.0032(6) 0.078(5) Uani 0.51(7) 1 d D U P B 2
C21A C 0.8787(19) 0.732(2) 0.1515(8) 0.061(7) Uani 0.344(16) 1 d D U P E 2
H21A H 0.853480 0.794759 0.135800 0.074 Uiso 0.344(16) 1 calc R U P E 2
C26A C 0.9919(17) 0.735(2) 0.1313(11) 0.066(7) Uani 0.344(16) 1 d D U P E 2
H26C H 1.019529 0.673311 0.145102 0.079 Uiso 0.344(16) 1 calc R U P E 2
H26D H 1.038509 0.792663 0.156058 0.079 Uiso 0.344(16) 1 calc R U P E 2
C25A C 0.991(2) 0.745(3) 0.0507(12) 0.099(11) Uani 0.344(16) 1 d D U P E 2
H25C H 0.969953 0.810284 0.037893 0.119 Uiso 0.344(16) 1 calc R U P E 2
H25D H 1.062763 0.743396 0.037108 0.119 Uiso 0.344(16) 1 calc R U P E 2
C24A C 0.915(2) 0.662(3) 0.0119(13) 0.109(12) Uani 0.344(16) 1 d D U P E 2
H24C H 0.941262 0.598140 0.020949 0.130 Uiso 0.344(16) 1 calc R U P E 2
H24D H 0.913987 0.672633 -0.038826 0.130 Uiso 0.344(16) 1 calc R U P E 2
C23A C 0.804(2) 0.656(3) 0.0325(13) 0.104(11) Uani 0.344(16) 1 d D U P E 2
H23C H 0.759161 0.597770 0.007551 0.125 Uiso 0.344(16) 1 calc R U P E 2
H23D H 0.774821 0.716894 0.018908 0.125 Uiso 0.344(16) 1 calc R U P E 2
C22A C 0.805(2) 0.645(3) 0.1130(14) 0.093(12) Uani 0.344(16) 1 d D U P E 2
H22C H 0.732197 0.644580 0.126369 0.111 Uiso 0.344(16) 1 calc R U P E 2
H22D H 0.828045 0.581090 0.126118 0.111 Uiso 0.344(16) 1 calc R U 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 P1 2.1793(19) . ?
Rh1 P2 2.192(2) . ?
Rh1 O1 2.204(6) . ?
Rh1 C27 2.521(9) . ?
P1 C1 1.840(8) . ?
P1 C13 1.841(8) . ?
P1 C7 1.853(8) . ?
P2 C15 1.840(9) . ?
P2 C14 1.877(9) . ?
P2 C21 1.874(10) . ?
P2 C21A 1.871(15) . ?
F1 C38 1.310(11) . ?
F3 C38 1.354(11) . ?
O1 C28 1.437(11) . ?
O1 C29 1.435(11) . ?
F20 C61 1.345(13) . ?
F2 C38 1.330(11) . ?
F6 C37 1.325(13) . ?
F21 C61 1.315(13) . ?
F11 C46 1.323(14) . ?
C31 C32 1.402(11) . ?
C31 C36 1.399(10) . ?
C31 B1 1.640(12) . ?
F5 C37 1.348(12) . ?
F9 C45 1.339(13) . ?
F22 C62 1.316(14) . ?
F23 C62 1.337(15) . ?
C32 H32 0.9500 . ?
C32 C33 1.379(12) . ?
C39 C40 1.399(12) . ?
C39 C44 1.391(11) . ?
C39 B1 1.633(11) . ?
C1 H1 1.0000 . ?
C1 C6 1.522(11) . ?
C1 C2 1.546(12) . ?
F19 C61 1.330(12) . ?
C36 H36 0.9500 . ?
C36 C35 1.391(12) . ?
C40 H40 0.9500 . ?
C40 C41 1.398(11) . ?
F24 C62 1.318(13) . ?
F10 C46 1.371(14) . ?
F16 C54 1.295(12) . ?
C35 C34 1.378(12) . ?
C35 C38 1.520(11) . ?
C33 C34 1.398(11) . ?
C33 C37 1.503(12) . ?
C48 H48 0.9500 . ?
C48 C47 1.385(12) . ?
C48 C49 1.388(12) . ?
C47 C52 1.403(11) . ?
C47 B1 1.624(11) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 C14 1.526(12) . ?
C15 H15 1.0000 . ?
C15 C20 1.535(10) . ?
C15 C16 1.516(13) . ?
F4 C37 1.313(13) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C55 C56 1.389(12) . ?
C55 C60 1.392(12) . ?
C55 B1 1.658(11) . ?
C52 H52 0.9500 . ?
C52 C51 1.390(12) . ?
C41 C42 1.400(13) . ?
C41 C45 1.498(14) . ?
F18 C54 1.403(12) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C6 C5 1.540(14) . ?
C56 H56 0.9500 . ?
C56 C57 1.413(11) . ?
C49 C50 1.402(14) . ?
C49 C53 1.485(15) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C28 C27 1.500(14) . ?
C34 H34 0.9500 . ?
C59 C60 1.400(12) . ?
C59 C58 1.392(15) . ?
C59 C62 1.490(14) . ?
C43 C44 1.392(12) . ?
C43 C42 1.376(14) . ?
C43 C46 1.498(14) . ?
F12 C46 1.350(14) . ?
C7 H7 1.0000 . ?
C7 C12 1.525(13) . ?
C7 C8 1.512(13) . ?
C51 C50 1.376(15) . ?
C51 C54 1.498(13) . ?
C37 F6A 1.328(13) . ?
C37 F4A 1.309(14) . ?
C37 F5A 1.328(13) . ?
C44 H44 0.9500 . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C19 C20 1.544(13) . ?
C19 C18 1.498(15) . ?
C60 H60 0.9500 . ?
F8 C45 1.264(15) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C12 C11 1.560(13) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C10 C9 1.513(16) . ?
C10 C11 1.480(16) . ?
C50 H50 0.9500 . ?
C58 H58 0.9500 . ?
C58 C57 1.392(14) . ?
C57 C61 1.463(15) . ?
C42 H42 0.9500 . ?
F7 C45 1.287(14) . ?
F17 C54 1.366(12) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C5 C4 1.505(16) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C2 C3 1.535(14) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C9 C8 1.535(13) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C29 C30 1.503(14) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C16 C17 1.559(15) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C18 C17 1.534(16) . ?
C46 F11A 1.333(13) . ?
C46 F10A 1.356(14) . ?
C46 F12A 1.369(13) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C4 C3 1.516(16) . ?
F14 C53 1.326(14) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C54 F17A 1.265(14) . ?
C54 F18A 1.372(12) . ?
C54 F16A 1.383(13) . ?
C53 F13 1.316(13) . ?
C53 F15 1.306(13) . ?
C53 F13A 1.278(13) . ?
C53 F14A 1.290(14) . ?
C53 F15A 1.301(13) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C22 C21 1.522(13) . ?
C22 C23 1.554(14) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C21 H21 1.0000 . ?
C21 C26 1.545(13) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C23 C24 1.514(15) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C24 C25 1.509(15) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C26 C25 1.556(14) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C21A H21A 1.0000 . ?
C21A C26A 1.541(16) . ?
C21A C22A 1.526(17) . ?
C26A H26C 0.9900 . ?
C26A H26D 0.9900 . ?
C26A C25A 1.560(18) . ?
C25A H25C 0.9900 . ?
C25A H25D 0.9900 . ?
C25A C24A 1.501(18) . ?
C24A H24C 0.9900 . ?
C24A H24D 0.9900 . ?
C24A C23A 1.512(18) . ?
C23A H23C 0.9900 . ?
C23A H23D 0.9900 . ?
C23A C22A 1.560(19) . ?
C22A H22C 0.9900 . ?
C22A H22D 0.9900 . ?

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 84.97(8) . . ?
P1 Rh1 O1 107.09(17) . . ?
P1 Rh1 C27 164.8(3) . . ?
P2 Rh1 O1 167.92(16) . . ?
P2 Rh1 C27 109.2(3) . . ?
O1 Rh1 C27 58.7(3) . . ?
C1 P1 Rh1 115.8(3) . . ?
C1 P1 C13 102.9(4) . . ?
C1 P1 C7 103.8(4) . . ?
C13 P1 Rh1 112.8(3) . . ?
C13 P1 C7 105.8(4) . . ?
C7 P1 Rh1 114.6(3) . . ?
C15 P2 Rh1 116.0(3) . . ?
C15 P2 C14 103.5(4) . . ?
C15 P2 C21 100.3(5) . . ?
C15 P2 C21A 118.0(9) . . ?
C14 P2 Rh1 111.7(3) . . ?
C21 P2 Rh1 116.7(5) . . ?
C21 P2 C14 107.2(5) . . ?
C21A P2 Rh1 107.1(7) . . ?
C21A P2 C14 99.1(10) . . ?
C28 O1 Rh1 104.9(5) . . ?
C29 O1 Rh1 132.1(5) . . ?
C29 O1 C28 114.4(7) . . ?
C32 C31 B1 121.5(6) . . ?
C36 C31 C32 115.1(7) . . ?
C36 C31 B1 123.3(7) . . ?
C31 C32 H32 118.7 . . ?
C33 C32 C31 122.6(7) . . ?
C33 C32 H32 118.7 . . ?
C40 C39 B1 122.4(7) . . ?
C44 C39 C40 115.1(7) . . ?
C44 C39 B1 122.1(7) . . ?
P1 C1 H1 106.2 . . ?
C6 C1 P1 115.0(6) . . ?
C6 C1 H1 106.2 . . ?
C6 C1 C2 110.2(7) . . ?
C2 C1 P1 112.4(6) . . ?
C2 C1 H1 106.2 . . ?
C31 C36 H36 118.7 . . ?
C35 C36 C31 122.6(8) . . ?
C35 C36 H36 118.7 . . ?
C39 C40 H40 118.8 . . ?
C41 C40 C39 122.4(8) . . ?
C41 C40 H40 118.8 . . ?
C36 C35 C38 118.6(8) . . ?
C34 C35 C36 121.1(7) . . ?
C34 C35 C38 120.3(8) . . ?
C32 C33 C34 121.1(8) . . ?
C32 C33 C37 119.8(7) . . ?
C34 C33 C37 119.0(8) . . ?
C47 C48 H48 118.3 . . ?
C47 C48 C49 123.3(8) . . ?
C49 C48 H48 118.3 . . ?
C48 C47 C52 115.4(8) . . ?
C48 C47 B1 122.8(7) . . ?
C52 C47 B1 121.5(7) . . ?
P1 C13 H13A 109.6 . . ?
P1 C13 H13B 109.6 . . ?
H13A C13 H13B 108.2 . . ?
C14 C13 P1 110.1(5) . . ?
C14 C13 H13A 109.6 . . ?
C14 C13 H13B 109.6 . . ?
P2 C15 H15 107.1 . . ?
C20 C15 P2 113.7(6) . . ?
C20 C15 H15 107.1 . . ?
C16 C15 P2 110.7(6) . . ?
C16 C15 H15 107.1 . . ?
C16 C15 C20 110.8(8) . . ?
P2 C14 H14A 110.2 . . ?
P2 C14 H14B 110.2 . . ?
C13 C14 P2 107.5(6) . . ?
C13 C14 H14A 110.2 . . ?
C13 C14 H14B 110.2 . . ?
H14A C14 H14B 108.5 . . ?
C56 C55 C60 116.8(7) . . ?
C56 C55 B1 120.3(7) . . ?
C60 C55 B1 122.6(7) . . ?
C47 C52 H52 119.3 . . ?
C51 C52 C47 121.4(9) . . ?
C51 C52 H52 119.3 . . ?
C40 C41 C42 120.6(8) . . ?
C40 C41 C45 120.1(9) . . ?
C42 C41 C45 119.3(8) . . ?
C1 C6 H6A 109.5 . . ?
C1 C6 H6B 109.5 . . ?
C1 C6 C5 110.9(8) . . ?
H6A C6 H6B 108.1 . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
C55 C56 H56 118.9 . . ?
C55 C56 C57 122.3(8) . . ?
C57 C56 H56 118.9 . . ?
C48 C49 C50 120.8(9) . . ?
C48 C49 C53 122.4(9) . . ?
C50 C49 C53 116.9(9) . . ?
O1 C28 H28A 110.7 . . ?
O1 C28 H28B 110.7 . . ?
O1 C28 C27 105.2(7) . . ?
H28A C28 H28B 108.8 . . ?
C27 C28 H28A 110.7 . . ?
C27 C28 H28B 110.7 . . ?
C35 C34 C33 117.4(8) . . ?
C35 C34 H34 121.3 . . ?
C33 C34 H34 121.3 . . ?
C60 C59 C62 120.4(10) . . ?
C58 C59 C60 119.4(9) . . ?
C58 C59 C62 120.2(9) . . ?
C44 C43 C46 119.7(9) . . ?
C42 C43 C44 120.6(9) . . ?
C42 C43 C46 119.6(8) . . ?
P1 C7 H7 107.4 . . ?
C12 C7 P1 112.7(6) . . ?
C12 C7 H7 107.4 . . ?
C8 C7 P1 111.8(6) . . ?
C8 C7 H7 107.4 . . ?
C8 C7 C12 109.9(8) . . ?
C52 C51 C54 117.9(9) . . ?
C50 C51 C52 122.8(9) . . ?
C50 C51 C54 119.3(8) . . ?
F6 C37 F5 103.2(14) . . ?
F6 C37 C33 115(2) . . ?
F5 C37 C33 109.2(13) . . ?
F4 C37 F6 107.5(16) . . ?
F4 C37 F5 104.3(16) . . ?
F4 C37 C33 116.7(14) . . ?
F6A C37 C33 111.1(14) . . ?
F6A C37 F5A 104.2(14) . . ?
F4A C37 C33 114.8(17) . . ?
F4A C37 F6A 108.3(16) . . ?
F4A C37 F5A 108.7(18) . . ?
F5A C37 C33 109(2) . . ?
C39 C44 C43 123.4(9) . . ?
C39 C44 H44 118.3 . . ?
C43 C44 H44 118.3 . . ?
H19A C19 H19B 108.1 . . ?
C20 C19 H19A 109.5 . . ?
C20 C19 H19B 109.5 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
C18 C19 C20 110.7(8) . . ?
C55 C60 C59 122.5(9) . . ?
C55 C60 H60 118.8 . . ?
C59 C60 H60 118.8 . . ?
F1 C38 F3 106.1(7) . . ?
F1 C38 F2 107.2(8) . . ?
F1 C38 C35 112.8(7) . . ?
F3 C38 C35 111.8(8) . . ?
F2 C38 F3 106.9(8) . . ?
F2 C38 C35 111.7(7) . . ?
C7 C12 H12A 109.5 . . ?
C7 C12 H12B 109.5 . . ?
C7 C12 C11 110.9(8) . . ?
H12A C12 H12B 108.0 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H10A C10 H10B 107.7 . . ?
C9 C10 H10A 108.9 . . ?
C9 C10 H10B 108.9 . . ?
C11 C10 H10A 108.9 . . ?
C11 C10 H10B 108.9 . . ?
C11 C10 C9 113.3(9) . . ?
C49 C50 H50 121.9 . . ?
C51 C50 C49 116.3(8) . . ?
C51 C50 H50 121.9 . . ?
C59 C58 H58 120.1 . . ?
C57 C58 C59 119.8(8) . . ?
C57 C58 H58 120.1 . . ?
C56 C57 C61 118.7(9) . . ?
C58 C57 C56 119.2(9) . . ?
C58 C57 C61 122.1(9) . . ?
C41 C42 H42 121.1 . . ?
C43 C42 C41 117.8(8) . . ?
C43 C42 H42 121.1 . . ?
C31 B1 C55 110.9(7) . . ?
C39 B1 C31 103.9(6) . . ?
C39 B1 C55 110.8(6) . . ?
C47 B1 C31 113.4(6) . . ?
C47 B1 C39 114.4(7) . . ?
C47 B1 C55 103.7(6) . . ?
C6 C5 H5A 109.3 . . ?
C6 C5 H5B 109.3 . . ?
H5A C5 H5B 107.9 . . ?
C4 C5 C6 111.8(8) . . ?
C4 C5 H5A 109.3 . . ?
C4 C5 H5B 109.3 . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 108.0 . . ?
C3 C2 C1 110.9(8) . . ?
C3 C2 H2A 109.5 . . ?
C3 C2 H2B 109.5 . . ?
C15 C20 C19 111.1(8) . . ?
C15 C20 H20A 109.4 . . ?
C15 C20 H20B 109.4 . . ?
C19 C20 H20A 109.4 . . ?
C19 C20 H20B 109.4 . . ?
H20A C20 H20B 108.0 . . ?
C10 C9 H9A 109.3 . . ?
C10 C9 H9B 109.3 . . ?
C10 C9 C8 111.4(9) . . ?
H9A C9 H9B 108.0 . . ?
C8 C9 H9A 109.3 . . ?
C8 C9 H9B 109.3 . . ?
O1 C29 H29A 109.4 . . ?
O1 C29 H29B 109.4 . . ?
O1 C29 C30 111.0(8) . . ?
H29A C29 H29B 108.0 . . ?
C30 C29 H29A 109.4 . . ?
C30 C29 H29B 109.4 . . ?
F20 C61 C57 113.8(8) . . ?
F21 C61 F20 104.0(10) . . ?
F21 C61 F19 107.4(9) . . ?
F21 C61 C57 113.6(8) . . ?
F19 C61 F20 103.6(9) . . ?
F19 C61 C57 113.5(10) . . ?
C15 C16 H16A 109.2 . . ?
C15 C16 H16B 109.2 . . ?
C15 C16 C17 112.0(9) . . ?
H16A C16 H16B 107.9 . . ?
C17 C16 H16A 109.2 . . ?
C17 C16 H16B 109.2 . . ?
C19 C18 H18A 109.6 . . ?
C19 C18 H18B 109.6 . . ?
C19 C18 C17 110.1(10) . . ?
H18A C18 H18B 108.2 . . ?
C17 C18 H18A 109.6 . . ?
C17 C18 H18B 109.6 . . ?
F11 C46 F10 105.9(16) . . ?
F11 C46 C43 120.0(17) . . ?
F11 C46 F12 110.7(16) . . ?
F10 C46 C43 105.3(16) . . ?
F12 C46 F10 101.8(15) . . ?
F12 C46 C43 111.2(16) . . ?
F11A C46 C43 118.2(19) . . ?
F11A C46 F10A 108.5(14) . . ?
F11A C46 F12A 106.7(16) . . ?
F10A C46 C43 114.5(13) . . ?
F10A C46 F12A 101.3(14) . . ?
F12A C46 C43 105.9(13) . . ?
C7 C8 C9 111.7(9) . . ?
C7 C8 H8A 109.3 . . ?
C7 C8 H8B 109.3 . . ?
C9 C8 H8A 109.3 . . ?
C9 C8 H8B 109.3 . . ?
H8A C8 H8B 107.9 . . ?
C5 C4 H4A 109.7 . . ?
C5 C4 H4B 109.7 . . ?
C5 C4 C3 110.0(9) . . ?
H4A C4 H4B 108.2 . . ?
C3 C4 H4A 109.7 . . ?
C3 C4 H4B 109.7 . . ?
F22 C62 F23 106.0(11) . . ?
F22 C62 F24 107.3(10) . . ?
F22 C62 C59 111.5(10) . . ?
F23 C62 C59 112.2(9) . . ?
F24 C62 F23 105.6(11) . . ?
F24 C62 C59 113.7(11) . . ?
Rh1 C27 H27A 58.7 . . ?
Rh1 C27 H27B 160.6 . . ?
Rh1 C27 H27C 65.4 . . ?
C28 C27 Rh1 89.6(5) . . ?
C28 C27 H27A 109.5 . . ?
C28 C27 H27B 109.5 . . ?
C28 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
F16 C54 F18 101.4(11) . . ?
F16 C54 C51 122.7(12) . . ?
F16 C54 F17 110.2(12) . . ?
F18 C54 C51 109.0(9) . . ?
F17 C54 F18 94.1(10) . . ?
F17 C54 C51 114.5(8) . . ?
F17A C54 C51 120.8(14) . . ?
F17A C54 F18A 111.1(16) . . ?
F17A C54 F16A 113.8(16) . . ?
F18A C54 C51 105.6(10) . . ?
F18A C54 F16A 95.4(11) . . ?
F16A C54 C51 106.8(10) . . ?
F9 C45 C41 111.7(9) . . ?
F8 C45 F9 104.8(12) . . ?
F8 C45 C41 114.4(10) . . ?
F8 C45 F7 107.6(12) . . ?
F7 C45 F9 102.5(10) . . ?
F7 C45 C41 114.7(11) . . ?
F14 C53 C49 114.2(12) . . ?
F13 C53 C49 117.1(13) . . ?
F13 C53 F14 101.7(14) . . ?
F15 C53 C49 116.0(13) . . ?
F15 C53 F14 102.3(15) . . ?
F15 C53 F13 103.5(14) . . ?
F13A C53 C49 112.0(15) . . ?
F13A C53 F14A 107.5(17) . . ?
F13A C53 F15A 108.0(16) . . ?
F14A C53 C49 111.6(13) . . ?
F14A C53 F15A 105.7(16) . . ?
F15A C53 C49 111.7(14) . . ?
C16 C17 H17A 109.8 . . ?
C16 C17 H17B 109.8 . . ?
C18 C17 C16 109.6(10) . . ?
C18 C17 H17A 109.8 . . ?
C18 C17 H17B 109.8 . . ?
H17A C17 H17B 108.2 . . ?
H22A C22 H22B 108.1 . . ?
C21 C22 H22A 109.6 . . ?
C21 C22 H22B 109.6 . . ?
C21 C22 C23 110.2(10) . . ?
C23 C22 H22A 109.6 . . ?
C23 C22 H22B 109.6 . . ?
C2 C3 H3A 109.3 . . ?
C2 C3 H3B 109.3 . . ?
C4 C3 C2 111.5(9) . . ?
C4 C3 H3A 109.3 . . ?
C4 C3 H3B 109.3 . . ?
H3A C3 H3B 108.0 . . ?
C12 C11 H11A 109.3 . . ?
C12 C11 H11B 109.3 . . ?
C10 C11 C12 111.6(9) . . ?
C10 C11 H11A 109.3 . . ?
C10 C11 H11B 109.3 . . ?
H11A C11 H11B 108.0 . . ?
P2 C21 H21 107.5 . . ?
C22 C21 P2 110.5(8) . . ?
C22 C21 H21 107.5 . . ?
C22 C21 C26 110.7(11) . . ?
C26 C21 P2 112.8(8) . . ?
C26 C21 H21 107.5 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 108.1 . . ?
C24 C23 C22 110.5(12) . . ?
C24 C23 H23A 109.5 . . ?
C24 C23 H23B 109.5 . . ?
C23 C24 H24A 109.3 . . ?
C23 C24 H24B 109.3 . . ?
H24A C24 H24B 108.0 . . ?
C25 C24 C23 111.5(13) . . ?
C25 C24 H24A 109.3 . . ?
C25 C24 H24B 109.3 . . ?
C21 C26 H26A 109.8 . . ?
C21 C26 H26B 109.8 . . ?
C21 C26 C25 109.2(10) . . ?
H26A C26 H26B 108.3 . . ?
C25 C26 H26A 109.8 . . ?
C25 C26 H26B 109.8 . . ?
C24 C25 C26 110.0(11) . . ?
C24 C25 H25A 109.7 . . ?
C24 C25 H25B 109.7 . . ?
C26 C25 H25A 109.7 . . ?
C26 C25 H25B 109.7 . . ?
H25A C25 H25B 108.2 . . ?
P2 C21A H21A 107.2 . . ?
C26A C21A P2 109.5(14) . . ?
C26A C21A H21A 107.2 . . ?
C22A C21A P2 114.5(16) . . ?
C22A C21A H21A 107.2 . . ?
C22A C21A C26A 111.0(16) . . ?
C21A C26A H26C 109.9 . . ?
C21A C26A H26D 109.9 . . ?
C21A C26A C25A 109.1(14) . . ?
H26C C26A H26D 108.3 . . ?
C25A C26A H26C 109.9 . . ?
C25A C26A H26D 109.9 . . ?
C26A C25A H25C 109.5 . . ?
C26A C25A H25D 109.5 . . ?
H25C C25A H25D 108.0 . . ?
C24A C25A C26A 110.9(16) . . ?
C24A C25A H25C 109.5 . . ?
C24A C25A H25D 109.5 . . ?
C25A C24A H24C 109.0 . . ?
C25A C24A H24D 109.0 . . ?
C25A C24A C23A 113(2) . . ?
H24C C24A H24D 107.8 . . ?
C23A C24A H24C 109.0 . . ?
C23A C24A H24D 109.0 . . ?
C24A C23A H23C 109.6 . . ?
C24A C23A H23D 109.6 . . ?
C24A C23A C22A 110.3(17) . . ?
H23C C23A H23D 108.1 . . ?
C22A C23A H23C 109.6 . . ?
C22A C23A H23D 109.6 . . ?
C21A C22A C23A 109.6(15) . . ?
C21A C22A H22C 109.7 . . ?
C21A C22A H22D 109.7 . . ?
C23A C22A H22C 109.7 . . ?
C23A C22A H22D 109.7 . . ?
H22C C22A H22D 108.2 . . ?

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 C1 C6 -171.7(5) . . . . ?
Rh1 P1 C1 C2 -44.6(7) . . . . ?
Rh1 P1 C13 C14 -29.5(7) . . . . ?
Rh1 P1 C7 C12 65.2(7) . . . . ?
Rh1 P1 C7 C8 -59.1(7) . . . . ?
Rh1 P2 C15 C20 73.8(7) . . . . ?
Rh1 P2 C15 C16 -51.5(8) . . . . ?
Rh1 P2 C14 C13 -33.7(7) . . . . ?
Rh1 P2 C21 C22 -31.0(11) . . . . ?
Rh1 P2 C21 C26 93.5(10) . . . . ?
Rh1 P2 C21A C26A -169.1(16) . . . . ?
Rh1 P2 C21A C22A -44(2) . . . . ?
Rh1 O1 C28 C27 12.5(9) . . . . ?
Rh1 O1 C29 C30 -149.6(8) . . . . ?
P1 C1 C6 C5 -176.5(6) . . . . ?
P1 C1 C2 C3 175.3(7) . . . . ?
P1 C13 C14 P2 37.8(8) . . . . ?
P1 C7 C12 C11 177.9(7) . . . . ?
P1 C7 C8 C9 -176.9(7) . . . . ?
P2 C15 C20 C19 -179.5(7) . . . . ?
P2 C15 C16 C17 -179.0(9) . . . . ?
P2 C21 C26 C25 177.2(10) . . . . ?
P2 C21A C26A C25A -174(2) . . . . ?
P2 C21A C22A C23A 176(2) . . . . ?
O1 C28 C27 Rh1 -10.5(8) . . . . ?
C31 C32 C33 C34 2.9(12) . . . . ?
C31 C32 C33 C37 -179.0(7) . . . . ?
C31 C36 C35 C34 3.5(11) . . . . ?
C31 C36 C35 C38 -174.2(7) . . . . ?
C32 C31 C36 C35 -3.1(10) . . . . ?
C32 C31 B1 C39 -80.6(8) . . . . ?
C32 C31 B1 C47 154.6(6) . . . . ?
C32 C31 B1 C55 38.5(9) . . . . ?
C32 C33 C34 C35 -2.6(11) . . . . ?
C32 C33 C37 F6 -68.6(18) . . . . ?
C32 C33 C37 F5 46.6(15) . . . . ?
C32 C33 C37 F4 165(3) . . . . ?
C32 C33 C37 F6A -163.6(16) . . . . ?
C32 C33 C37 F4A 73(3) . . . . ?
C32 C33 C37 F5A -49.2(19) . . . . ?
C39 C40 C41 C42 -2.1(14) . . . . ?
C39 C40 C41 C45 175.5(9) . . . . ?
C1 P1 C13 C14 -155.0(7) . . . . ?
C1 P1 C7 C12 -167.6(6) . . . . ?
C1 P1 C7 C8 68.1(7) . . . . ?
C1 C6 C5 C4 -57.3(11) . . . . ?
C1 C2 C3 C4 56.3(12) . . . . ?
C36 C31 C32 C33 0.0(10) . . . . ?
C36 C31 B1 C39 95.4(8) . . . . ?
C36 C31 B1 C47 -29.4(10) . . . . ?
C36 C31 B1 C55 -145.5(7) . . . . ?
C36 C35 C34 C33 -0.5(11) . . . . ?
C36 C35 C38 F1 -63.2(10) . . . . ?
C36 C35 C38 F3 177.3(7) . . . . ?
C36 C35 C38 F2 57.6(11) . . . . ?
C40 C39 C44 C43 -1.5(13) . . . . ?
C40 C39 B1 C31 -93.5(9) . . . . ?
C40 C39 B1 C47 30.7(11) . . . . ?
C40 C39 B1 C55 147.4(8) . . . . ?
C40 C41 C42 C43 0.4(15) . . . . ?
C40 C41 C45 F9 38.7(15) . . . . ?
C40 C41 C45 F8 -80.1(14) . . . . ?
C40 C41 C45 F7 154.7(11) . . . . ?
C48 C47 C52 C51 -2.5(11) . . . . ?
C48 C47 B1 C31 153.5(7) . . . . ?
C48 C47 B1 C39 34.5(10) . . . . ?
C48 C47 B1 C55 -86.2(8) . . . . ?
C48 C49 C50 C51 -1.7(13) . . . . ?
C48 C49 C53 F14 6(2) . . . . ?
C48 C49 C53 F13 124.3(19) . . . . ?
C48 C49 C53 F15 -113(2) . . . . ?
C48 C49 C53 F13A 79(3) . . . . ?
C48 C49 C53 F14A -42(2) . . . . ?
C48 C49 C53 F15A -160(2) . . . . ?
C47 C48 C49 C50 -0.3(13) . . . . ?
C47 C48 C49 C53 178.6(8) . . . . ?
C47 C52 C51 C50 0.7(13) . . . . ?
C47 C52 C51 C54 -177.3(7) . . . . ?
C13 P1 C1 C6 -48.3(7) . . . . ?
C13 P1 C1 C2 78.9(7) . . . . ?
C13 P1 C7 C12 -59.6(7) . . . . ?
C13 P1 C7 C8 176.0(7) . . . . ?
C15 P2 C14 C13 -159.2(6) . . . . ?
C15 P2 C21 C22 95.1(10) . . . . ?
C15 P2 C21 C26 -140.4(10) . . . . ?
C15 P2 C21A C26A -36(2) . . . . ?
C15 P2 C21A C22A 89(2) . . . . ?
C15 C16 C17 C18 -56.1(15) . . . . ?
C14 P2 C15 C20 -163.5(6) . . . . ?
C14 P2 C15 C16 71.2(8) . . . . ?
C14 P2 C21 C22 -157.1(10) . . . . ?
C14 P2 C21 C26 -32.6(11) . . . . ?
C14 P2 C21A C26A 74.7(19) . . . . ?
C14 P2 C21A C22A -160(2) . . . . ?
C55 C56 C57 C58 0.4(13) . . . . ?
C55 C56 C57 C61 178.3(8) . . . . ?
C52 C47 B1 C31 -32.8(9) . . . . ?
C52 C47 B1 C39 -151.7(7) . . . . ?
C52 C47 B1 C55 87.6(8) . . . . ?
C52 C51 C50 C49 1.4(13) . . . . ?
C52 C51 C54 F16 -178.6(14) . . . . ?
C52 C51 C54 F18 -60.5(11) . . . . ?
C52 C51 C54 F17 43.4(13) . . . . ?
C52 C51 C54 F17A -23(2) . . . . ?
C52 C51 C54 F18A -150.1(11) . . . . ?
C52 C51 C54 F16A 109.1(13) . . . . ?
C6 C1 C2 C3 -55.1(11) . . . . ?
C6 C5 C4 C3 57.3(12) . . . . ?
C56 C55 C60 C59 -1.5(12) . . . . ?
C56 C55 B1 C31 37.9(9) . . . . ?
C56 C55 B1 C39 152.8(7) . . . . ?
C56 C55 B1 C47 -84.1(9) . . . . ?
C56 C57 C61 F20 50.2(12) . . . . ?
C56 C57 C61 F21 -68.5(13) . . . . ?
C56 C57 C61 F19 168.4(9) . . . . ?
C49 C48 C47 C52 2.3(11) . . . . ?
C49 C48 C47 B1 176.4(7) . . . . ?
C28 O1 C29 C30 68.2(11) . . . . ?
C34 C35 C38 F1 119.1(9) . . . . ?
C34 C35 C38 F3 -0.4(11) . . . . ?
C34 C35 C38 F2 -120.1(9) . . . . ?
C34 C33 C37 F6 109.5(17) . . . . ?
C34 C33 C37 F5 -135.3(13) . . . . ?
C34 C33 C37 F4 -17(3) . . . . ?
C34 C33 C37 F6A 14.5(17) . . . . ?
C34 C33 C37 F4A -109(3) . . . . ?
C34 C33 C37 F5A 128.9(18) . . . . ?
C59 C58 C57 C56 0.3(14) . . . . ?
C59 C58 C57 C61 -177.5(9) . . . . ?
C7 P1 C1 C6 61.8(7) . . . . ?
C7 P1 C1 C2 -171.0(6) . . . . ?
C7 P1 C13 C14 96.5(7) . . . . ?
C7 C12 C11 C10 54.6(12) . . . . ?
C37 C33 C34 C35 179.3(7) . . . . ?
C44 C39 C40 C41 2.5(13) . . . . ?
C44 C39 B1 C31 79.4(9) . . . . ?
C44 C39 B1 C47 -156.4(7) . . . . ?
C44 C39 B1 C55 -39.7(11) . . . . ?
C44 C43 C42 C41 0.7(15) . . . . ?
C44 C43 C46 F11 94(2) . . . . ?
C44 C43 C46 F10 -146.8(18) . . . . ?
C44 C43 C46 F12 -37(3) . . . . ?
C44 C43 C46 F11A -131(2) . . . . ?
C44 C43 C46 F10A -1(3) . . . . ?
C44 C43 C46 F12A 110.0(17) . . . . ?
C19 C18 C17 C16 58.7(15) . . . . ?
C60 C55 C56 C57 0.1(12) . . . . ?
C60 C55 B1 C31 -148.6(7) . . . . ?
C60 C55 B1 C39 -33.8(11) . . . . ?
C60 C55 B1 C47 89.3(8) . . . . ?
C60 C59 C58 C57 -1.6(14) . . . . ?
C60 C59 C62 F22 -79.0(14) . . . . ?
C60 C59 C62 F23 39.7(15) . . . . ?
C60 C59 C62 F24 159.5(11) . . . . ?
C38 C35 C34 C33 177.2(7) . . . . ?
C12 C7 C8 C9 57.2(10) . . . . ?
C10 C9 C8 C7 -54.6(11) . . . . ?
C50 C49 C53 F14 -175(2) . . . . ?
C50 C49 C53 F13 -57(2) . . . . ?
C50 C49 C53 F15 66(2) . . . . ?
C50 C49 C53 F13A -102(3) . . . . ?
C50 C49 C53 F14A 137(2) . . . . ?
C50 C49 C53 F15A 19(3) . . . . ?
C50 C51 C54 F16 3.3(17) . . . . ?
C50 C51 C54 F18 121.4(10) . . . . ?
C50 C51 C54 F17 -134.7(11) . . . . ?
C50 C51 C54 F17A 159(2) . . . . ?
C50 C51 C54 F18A 31.8(13) . . . . ?
C50 C51 C54 F16A -69.0(14) . . . . ?
C58 C59 C60 C55 2.2(14) . . . . ?
C58 C59 C62 F22 98.9(12) . . . . ?
C58 C59 C62 F23 -142.4(10) . . . . ?
C58 C59 C62 F24 -22.6(16) . . . . ?
C58 C57 C61 F20 -132.0(10) . . . . ?
C58 C57 C61 F21 109.3(11) . . . . ?
C58 C57 C61 F19 -13.8(14) . . . . ?
C42 C41 C45 F9 -143.7(11) . . . . ?
C42 C41 C45 F8 97.4(14) . . . . ?
C42 C41 C45 F7 -27.7(16) . . . . ?
C42 C43 C44 C39 -0.1(15) . . . . ?
C42 C43 C46 F11 -84(2) . . . . ?
C42 C43 C46 F10 35(2) . . . . ?
C42 C43 C46 F12 145(3) . . . . ?
C42 C43 C46 F11A 51(2) . . . . ?
C42 C43 C46 F10A -179(3) . . . . ?
C42 C43 C46 F12A -68.1(19) . . . . ?
B1 C31 C32 C33 176.3(7) . . . . ?
B1 C31 C36 C35 -179.4(7) . . . . ?
B1 C39 C40 C41 175.9(8) . . . . ?
B1 C39 C44 C43 -174.9(8) . . . . ?
B1 C47 C52 C51 -176.7(7) . . . . ?
B1 C55 C56 C57 174.0(7) . . . . ?
B1 C55 C60 C59 -175.2(8) . . . . ?
C5 C4 C3 C2 -57.0(13) . . . . ?
C2 C1 C6 C5 55.2(10) . . . . ?
C20 C15 C16 C17 54.0(13) . . . . ?
C20 C19 C18 C17 -60.1(13) . . . . ?
C9 C10 C11 C12 -52.5(12) . . . . ?
C29 O1 C28 C27 164.4(8) . . . . ?
C16 C15 C20 C19 -54.2(10) . . . . ?
C18 C19 C20 C15 57.8(11) . . . . ?
C46 C43 C44 C39 -178.1(9) . . . . ?
C46 C43 C42 C41 178.7(9) . . . . ?
C8 C7 C12 C11 -56.6(10) . . . . ?
C62 C59 C60 C55 -179.8(9) . . . . ?
C62 C59 C58 C57 -179.5(9) . . . . ?
C54 C51 C50 C49 179.4(8) . . . . ?
C45 C41 C42 C43 -177.2(10) . . . . ?
C53 C49 C50 C51 179.4(8) . . . . ?
C22 C21 C26 C25 -58.4(15) . . . . ?
C22 C23 C24 C25 57.4(19) . . . . ?
C11 C10 C9 C8 52.6(12) . . . . ?
C21 P2 C15 C20 -52.8(8) . . . . ?
C21 P2 C15 C16 -178.1(8) . . . . ?
C21 P2 C14 C13 95.3(7) . . . . ?
C21 C22 C23 C24 -56.3(18) . . . . ?
C21 C26 C25 C24 58.3(17) . . . . ?
C23 C22 C21 P2 -177.0(10) . . . . ?
C23 C22 C21 C26 57.4(16) . . . . ?
C23 C24 C25 C26 -58.7(19) . . . . ?
C21A P2 C15 C20 -55.2(12) . . . . ?
C21A P2 C15 C16 179.4(11) . . . . ?
C21A P2 C14 C13 78.9(10) . . . . ?
C21A C26A C25A C24A -56(3) . . . . ?
C26A C21A C22A C23A -59(3) . . . . ?
C26A C25A C24A C23A 56(4) . . . . ?
C25A C24A C23A C22A -56(4) . . . . ?
C24A C23A C22A C21A 56(3) . . . . ?
C22A C21A C26A C25A 58(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
;
####################################################################### 
# 
# 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_260amm19twin
_audit_block_doi                 10.5517/ccdc.csd.cc24klw6
_database_code_depnum_ccdc_archive 'CCDC 1983128'
loop_
_citation_id
_citation_doi
_citation_year
1 10.1039/D0CC01140A 2020
loop_
_audit_author_name
_audit_author_address
'Antonio J. Martinez-Martinez'
;University of Oxford
United Kingdom
;
_audit_update_record             
;
2020-02-10 deposited with the CCDC.	2020-03-23 downloaded from the CCDC.
;
_audit_creation_date             2019-02-05
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C29 H54 P2 Rh, C32 H12 B F24'
_chemical_formula_sum            'C61 H66 B F24 P2 Rh'
_chemical_formula_weight         1430.79
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C54 H66 Rh1 B1 F24 P2'
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'
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                   12.8015(10)
_cell_length_b                   12.9012(7)
_cell_length_c                   19.8814(9)
_cell_angle_alpha                91.347(4)
_cell_angle_beta                 90.717(5)
_cell_angle_gamma                96.597(6)
_cell_volume                     3260.5(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    8577
_cell_measurement_temperature    150.1(2)
_cell_measurement_theta_max      75.4890
_cell_measurement_theta_min      4.0010
_shelx_estimated_absorpt_T_max   0.638
_shelx_estimated_absorpt_T_min   0.553
_exptl_absorpt_coefficient_mu    3.532
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.81293
_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    1.457
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1456
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.14
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_av_unetI/netI     0.0606
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            29822
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         70.069
_diffrn_reflns_theta_min         4.449
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.1(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.4102
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  31.00   1.00   10.00    --  -41.91  38.00 -60.00   41
  2  ω   -111.00 -10.00   1.00   10.00    --  -41.91 -19.00 150.00  101
  3  ω    -48.00  -7.00   1.00   10.00    --  -41.91  38.00 120.00   41
  4  ω     59.00 119.00   1.00   10.00    --   41.91 178.00  90.00   60
  5  ω     95.00 174.00   1.00   50.00    --  111.00 125.00  30.00   79
  6  ω     41.00  68.00   1.00   50.00    --  111.00 -30.00-180.00   27
  7  ω     46.00  90.00   1.00   50.00    --  111.00 -30.00   0.00   44
  8  ω     42.00  69.00   1.00   50.00    --  111.00 -45.00  60.00   27
  9  ω     38.00  66.00   1.00   50.00    --  111.00 -30.00 120.00   28
 10  ω     54.00 137.00   1.00   50.00    --  111.00 -77.00  60.00   83
 11  ω     33.00 109.00   1.00   50.00    --  111.00 -95.00   0.00   76
 12  ω     67.00  92.00   1.00   50.00    --  111.00-125.00 -60.00   25
 13  ω     45.00  90.00   1.00   50.00    --  111.00 -30.00  60.00   45
 14  ω     83.00 108.00   1.00   50.00    --  111.00-103.00 -56.00   25
 15  ω     45.00  88.00   1.00   50.00    --  111.00 -45.00 150.00   43
 16  ω   -114.00 -21.00   1.00   10.00    --  -41.91 -38.00 -90.00   93
 17  ω    -91.00 -22.00   1.00   10.00    --  -41.91 -38.00 -30.00   69
 18  ω      1.00  33.00   1.00   10.00    --   41.91 -99.00 150.00   32
 19  ω     67.00  96.00   1.00   50.00    --  111.00 -45.00 -30.00   29
 20  ω     88.00 175.00   1.00   50.00    --  111.00  30.00-150.00   87
 21  ω     60.00  88.00   1.00   50.00    --  111.00 -45.00-120.00   28
 22  ω     77.00 115.00   1.00   50.00    --  111.00-125.00-120.00   38
 23  ω     96.00 125.00   1.00   50.00    --  111.00 125.00  60.00   29
 24  ω    151.00 176.00   1.00   50.00    --  111.00 125.00  60.00   25
 25  ω     92.00 118.00   1.00   50.00    --  111.00-125.00 150.00   26
 26  ω     53.00  80.00   1.00   50.00    --  111.00 -30.00-150.00   27
 27  ω     53.00  80.00   1.00   50.00    --  111.00-125.00 -90.00   27
 28  ω     97.00 166.00   1.00   50.00    --  111.00 125.00 150.00   69
 29  ω     93.00 118.00   1.00   50.00    --  111.00-125.00 -60.00   25
 30  ω     40.00 115.00   1.00   50.00    --  111.00 -15.00-120.00   75
 31  ω     36.00  65.00   1.00   10.00    --   41.91 -77.00  90.00   29
 32  ω     85.00 126.00   1.00   10.00    --   41.91 178.00 -30.00   41
 33  ω     54.00  83.00   1.00   50.00    --  111.00 -30.00  30.00   29
 34  ω     37.00  81.00   1.00   50.00    --  111.00 -30.00-150.00   44
 35  ω     61.00  88.00   1.00   50.00    --  111.00-125.00   0.00   27
 36  ω     93.00 118.00   1.00   50.00    --  111.00-125.00   0.00   25
 37  ω     46.00  73.00   1.00   50.00    --  111.00 -30.00  90.00   27
;
_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      -0.1089569000
_diffrn_orient_matrix_UB_12      -0.0637714000
_diffrn_orient_matrix_UB_13      0.0045060000
_diffrn_orient_matrix_UB_21      0.0059009000
_diffrn_orient_matrix_UB_22      0.0111894000
_diffrn_orient_matrix_UB_23      0.0773128000
_diffrn_orient_matrix_UB_31      -0.0526587000
_diffrn_orient_matrix_UB_32      0.1013272000
_diffrn_orient_matrix_UB_33      -0.0033920000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_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                21988
_reflns_number_total             29822
_reflns_odcompleteness_completeness 99.82
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     69.95
_reflns_special_details          
;
 _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 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         2.271
_refine_diff_density_min         -1.750
_refine_diff_density_rms         0.144
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.160
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     971
_refine_ls_number_reflns         29822
_refine_ls_number_restraints     785
_refine_ls_R_factor_all          0.1224
_refine_ls_R_factor_gt           0.1003
_refine_ls_restrained_S_all      1.173
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2905
_refine_ls_wR_factor_ref         0.3209
_refine_special_details          
;Refined as a 2-component twin.
180.0 degree rotation about 1. 1. 0. reciprocal lattice direction:
[0.007 0.993 0.023] [1.007 -0.007 0.023] [0.000 0.000 -1.000]
BASF refined to 0.36402.,Twin
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.636(5)
 0.364(5)
2. 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
3. Restrained distances
 F11-F10 \\sim F11-F12 \\sim F10-F12 \\sim F11A-F10A \\sim F11A-F12A \\sim
F10A-F12A
 with sigma of 0.04
 C45-F11 \\sim C45-F10 \\sim C45-F12 \\sim C45-F11A \\sim C45-F10A \\sim
C45-F12A
 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
 C61-F23 \\sim C61-F24 \\sim C61-F22 \\sim C61-F23A \\sim C61-F24A \\sim
C61-F22A
 with sigma of 0.02
 F6-F4 \\sim F6-F5 \\sim F4-F5 \\sim F6A-F4A \\sim F6A-F5A \\sim F4A-F5A
 with sigma of 0.04
 C37-F6 \\sim C37-F4 \\sim C37-F5 \\sim C37-F6A \\sim C37-F4A \\sim C37-F5A
 with sigma of 0.02
 F8-F9 \\sim F8-F7 \\sim F9-F7 \\sim F8A-F9A \\sim F8A-F7A \\sim F9A-F7A
 with sigma of 0.04
 C44-F8 \\sim C44-F9 \\sim C44-F7 \\sim C44-F8A \\sim C44-F9A \\sim C44-F7A
 with sigma of 0.02
 F18-F17 \\sim F18-F16 \\sim F17-F16 \\sim F18A-F17A \\sim F18A-F16A \\sim
F17A-F16A
 with sigma of 0.04
 C53-F18 \\sim C53-F17 \\sim C53-F16 \\sim C53-F18A \\sim C53-F17A \\sim
C53-F16A
 with sigma of 0.02
 Rh1-C1A \\sim Rh1-C1
 with sigma of 0.02
 Rh1-C2A \\sim Rh1-C2
 with sigma of 0.02
 C1A-C2A \\sim C1-C2
 with sigma of 0.02
 Rh1-C3A \\sim Rh1-C3
 with sigma of 0.02
 C2-C3 \\sim C2A-C3A
 with sigma of 0.02
4. Uiso/Uaniso restraints and constraints
C45 \\sim F10A \\sim F11A \\sim F12A \\sim F10 \\sim F11 \\sim F12: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.01
C61 \\sim F22A \\sim F23A \\sim F24A \\sim F22 \\sim F23 \\sim F24: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.01
C37 \\sim F4A \\sim F5A \\sim F6A \\sim F4 \\sim F5 \\sim F6: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.01
C44 \\sim F7A \\sim F8A \\sim F9A \\sim F7 \\sim F8 \\sim F9: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.01
C53 \\sim F16A \\sim F17A \\sim F18A \\sim F16 \\sim F17 \\sim F18: within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.01
C1A \\sim C2A \\sim C3A \\sim C1 \\sim C2 \\sim C3: within 2A with sigma of
0.01 and sigma for terminal atoms of 0.01
Uanis(C1) \\sim Ueq, Uanis(C2) \\sim Ueq, Uanis(C3) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
5. Rigid body (RIGU) restrains
 C45, F10A, F11A, F12A, F10, F11, F12
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C61, F22A, F23A, F24A, F22, F23, F24
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C37, F4A, F5A, F6A, F4, F5, F6
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C44, F7A, F8A, F9A, F7, F8, F9
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C53, F16A, F17A, F18A, F16, F17, F18
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C1A, C2A, C3A, C1, C2, C3
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
6. Others
 Sof(F10A)=Sof(F11A)=Sof(F12A)=1-FVAR(1)
 Sof(F10)=Sof(F11)=Sof(F12)=FVAR(1)
 Sof(F22A)=Sof(F23A)=Sof(F24A)=1-FVAR(2)
 Sof(F22)=Sof(F23)=Sof(F24)=FVAR(2)
 Sof(F4A)=Sof(F5A)=Sof(F6A)=1-FVAR(3)
 Sof(F4)=Sof(F5)=Sof(F6)=FVAR(3)
 Sof(F7A)=Sof(F8A)=Sof(F9A)=1-FVAR(4)
 Sof(F7)=Sof(F8)=Sof(F9)=FVAR(4)
 Sof(F16A)=Sof(F17A)=Sof(F18A)=1-FVAR(5)
 Sof(F16)=Sof(F17)=Sof(F18)=FVAR(5)
 Sof(C1A)=Sof(H1AA)=Sof(H1AB)=Sof(C2A)=Sof(H2A)=Sof(C3A)=Sof(H3AA)=Sof(H3AB)=
 Sof(H3AC)=1-FVAR(6)
 Sof(C1)=Sof(H1A)=Sof(H1B)=Sof(C2)=Sof(H2)=Sof(C3)=Sof(H3A)=Sof(H3B)=Sof(H3C)=
 FVAR(6)
7.a Ternary CH refined with riding coordinates:
 C6(H6), C12(H12), C18(H18), C24(H24)
7.b Secondary CH2 refined with riding coordinates:
 C4(H4A,H4B), C5(H5A,H5B), C7(H7A,H7B), C8(H8A,H8B), C9(H9A,H9B), C10(H10A,
 H10B), C11(H11A,H11B), C13(H13A,H13B), C14(H14A,H14B), C15(H15A,H15B),
 C16(H16A,H16B), C17(H17A,H17B), C19(H19A,H19B), C20(H20A,H20B), C21(H21A,H21B),
  C22(H22A,H22B), C23(H23A,H23B), C25(H25A,H25B), C26(H26A,H26B), C27(H27A,
 H27B), C28(H28A,H28B), C29(H29A,H29B)
7.c Me refined with riding coordinates:
 C3A(H3AA,H3AB,H3AC), C3(H3A,H3B,H3C)
7.d Aromatic/amide H refined with riding coordinates:
 C2A(H2A), C31(H31), C33(H33), C35(H35), C39(H39), C41(H41), C43(H43),
 C47(H47), C49(H49), C51(H51), C55(H55), C57(H57), C59(H59), C2(H2)
7.e X=CH2 refined with riding coordinates:
 C1A(H1AA,H1AB), C1(H1A,H1B)
;
_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 -0.31475(5) -0.31375(4) 0.25242(3) 0.0583(2) Uani 1 1 d D . . . .
P1 P -0.20063(16) -0.23579(16) 0.32873(9) 0.0556(5) Uani 1 1 d . . . . .
P2 P -0.23495(16) -0.20005(15) 0.18084(9) 0.0548(5) Uani 1 1 d . . . . .
C4 C -0.1258(7) -0.1151(7) 0.2964(5) 0.065(2) Uani 1 1 d . . . . .
H4A H -0.163183 -0.054001 0.307403 0.078 Uiso 1 1 calc R . . . .
H4B H -0.055207 -0.103960 0.317997 0.078 Uiso 1 1 calc R . . . .
C5 C -0.1150(7) -0.1266(7) 0.2189(4) 0.0621(19) Uani 1 1 d . . . . .
H5A H -0.053336 -0.163708 0.208649 0.075 Uiso 1 1 calc R . . . .
H5B H -0.103327 -0.056552 0.199217 0.075 Uiso 1 1 calc R . . . .
C6 C -0.2616(7) -0.1943(7) 0.4071(4) 0.065(2) Uani 1 1 d . . . . .
H6 H -0.293272 -0.259391 0.428907 0.078 Uiso 1 1 calc R . . . .
C7 C -0.1860(8) -0.1365(8) 0.4586(4) 0.069(2) Uani 1 1 d . . . . .
H7A H -0.153926 -0.070307 0.439474 0.082 Uiso 1 1 calc R . . . .
H7B H -0.128870 -0.179480 0.468930 0.082 Uiso 1 1 calc R . . . .
C8 C -0.2436(9) -0.1126(8) 0.5239(4) 0.074(2) Uani 1 1 d . . . . .
H8A H -0.268366 -0.178984 0.545755 0.089 Uiso 1 1 calc R . . . .
H8B H -0.193813 -0.071028 0.555369 0.089 Uiso 1 1 calc R . . . .
C9 C -0.3366(10) -0.0531(9) 0.5102(5) 0.084(3) Uani 1 1 d . . . . .
H9A H -0.310850 0.017446 0.494452 0.100 Uiso 1 1 calc R . . . .
H9B H -0.375223 -0.044743 0.552391 0.100 Uiso 1 1 calc R . . . .
C10 C -0.4111(9) -0.1093(10) 0.4571(5) 0.081(3) Uani 1 1 d . . . . .
H10A H -0.468489 -0.066349 0.447264 0.098 Uiso 1 1 calc R . . . .
H10B H -0.443064 -0.176566 0.474821 0.098 Uiso 1 1 calc R . . . .
C11 C -0.3528(8) -0.1298(9) 0.3918(5) 0.074(3) Uani 1 1 d . . . . .
H11A H -0.324872 -0.062624 0.372156 0.089 Uiso 1 1 calc R . . . .
H11B H -0.402050 -0.168290 0.358685 0.089 Uiso 1 1 calc R . . . .
C12 C -0.0981(7) -0.3169(7) 0.3571(4) 0.0612(19) Uani 1 1 d . . . . .
H12 H -0.051312 -0.274213 0.390474 0.073 Uiso 1 1 calc R . . . .
C13 C -0.1489(11) -0.4111(12) 0.3923(10) 0.123(7) Uani 1 1 d . . . . .
H13A H -0.198499 -0.452996 0.360846 0.147 Uiso 1 1 calc R . . . .
H13B H -0.189573 -0.388311 0.430855 0.147 Uiso 1 1 calc R . . . .
C14 C -0.0667(12) -0.4787(12) 0.4175(8) 0.115(6) Uani 1 1 d . . . . .
H14A H -0.020418 -0.438810 0.451600 0.138 Uiso 1 1 calc R . . . .
H14B H -0.102261 -0.541350 0.438988 0.138 Uiso 1 1 calc R . . . .
C15 C -0.0017(10) -0.5115(9) 0.3599(7) 0.090(3) Uani 1 1 d . . . . .
H15A H 0.052347 -0.553761 0.377010 0.107 Uiso 1 1 calc R . . . .
H15B H -0.047309 -0.555246 0.327211 0.107 Uiso 1 1 calc R . . . .
C16 C 0.0503(10) -0.4182(11) 0.3259(6) 0.090(3) Uani 1 1 d . . . . .
H16A H 0.091113 -0.441058 0.287435 0.108 Uiso 1 1 calc R . . . .
H16B H 0.100006 -0.377541 0.357857 0.108 Uiso 1 1 calc R . . . .
C17 C -0.0309(9) -0.3480(9) 0.3005(5) 0.078(3) Uani 1 1 d . . . . .
H17A H 0.006197 -0.284698 0.280551 0.094 Uiso 1 1 calc R . . . .
H17B H -0.075977 -0.386041 0.264986 0.094 Uiso 1 1 calc R . . . .
C18 C -0.3160(7) -0.0994(7) 0.1519(4) 0.064(2) Uani 1 1 d . . . . .
H18 H -0.274233 -0.056675 0.118145 0.077 Uiso 1 1 calc R . . . .
C19 C -0.3430(10) -0.0264(9) 0.2074(6) 0.086(3) Uani 1 1 d . . . . .
H19A H -0.277552 0.009618 0.228149 0.104 Uiso 1 1 calc R . . . .
H19B H -0.382371 -0.066598 0.242671 0.104 Uiso 1 1 calc R . . . .
C20 C -0.4111(11) 0.0561(10) 0.1790(8) 0.101(4) Uani 1 1 d . . . . .
H20A H -0.428394 0.103611 0.215972 0.121 Uiso 1 1 calc R . . . .
H20B H -0.370295 0.098310 0.145273 0.121 Uiso 1 1 calc R . . . .
C21 C -0.5108(9) 0.0041(9) 0.1469(6) 0.086(3) Uani 1 1 d . . . . .
H21A H -0.553322 0.057274 0.129456 0.103 Uiso 1 1 calc R . . . .
H21B H -0.552800 -0.037480 0.180417 0.103 Uiso 1 1 calc R . . . .
C22 C -0.4811(13) -0.0659(13) 0.0901(9) 0.132(7) Uani 1 1 d . . . . .
H22A H -0.441044 -0.023467 0.056098 0.158 Uiso 1 1 calc R . . . .
H22B H -0.545473 -0.101737 0.068006 0.158 Uiso 1 1 calc R . . . .
C23 C -0.4131(13) -0.1479(12) 0.1177(10) 0.140(8) Uani 1 1 d . . . . .
H23A H -0.455132 -0.192454 0.149734 0.168 Uiso 1 1 calc R . . . .
H23B H -0.394185 -0.193292 0.079969 0.168 Uiso 1 1 calc R . . . .
C24 C -0.1925(7) -0.2612(6) 0.1022(4) 0.0580(18) Uani 1 1 d . . . . .
H24 H -0.258115 -0.289314 0.076950 0.070 Uiso 1 1 calc R . . . .
C25 C -0.1298(8) -0.1870(7) 0.0558(5) 0.067(2) Uani 1 1 d . . . . .
H25A H -0.062434 -0.159433 0.078138 0.081 Uiso 1 1 calc R . . . .
H25B H -0.169549 -0.127336 0.046584 0.081 Uiso 1 1 calc R . . . .
C26 C -0.1074(8) -0.2422(8) -0.0110(5) 0.073(2) Uani 1 1 d . . . . .
H26A H -0.174257 -0.262171 -0.036019 0.088 Uiso 1 1 calc R . . . .
H26B H -0.061791 -0.193750 -0.038893 0.088 Uiso 1 1 calc R . . . .
C27 C -0.0532(10) -0.3397(9) 0.0016(4) 0.079(3) Uani 1 1 d . . . . .
H27A H -0.045281 -0.376964 -0.041818 0.095 Uiso 1 1 calc R . . . .
H27B H 0.017998 -0.318511 0.020730 0.095 Uiso 1 1 calc R . . . .
C28 C -0.1141(9) -0.4130(8) 0.0491(4) 0.076(3) Uani 1 1 d . . . . .
H28A H -0.074401 -0.472912 0.057924 0.091 Uiso 1 1 calc R . . . .
H28B H -0.182671 -0.440310 0.028261 0.091 Uiso 1 1 calc R . . . .
C29 C -0.1323(8) -0.3549(8) 0.1163(4) 0.071(2) Uani 1 1 d . . . . .
H29A H -0.173117 -0.402884 0.146963 0.086 Uiso 1 1 calc R . . . .
H29B H -0.063799 -0.330467 0.138337 0.086 Uiso 1 1 calc R . . . .
C1A C -0.412(2) -0.411(2) 0.1721(12) 0.102(5) Uani 0.531(19) 1 d D U P A 2
H1AA H -0.355978 -0.452310 0.177054 0.122 Uiso 0.531(19) 1 calc R . P A 2
H1AB H -0.425183 -0.381458 0.129829 0.122 Uiso 0.531(19) 1 calc R . P A 2
C2A C -0.4697(18) -0.394(2) 0.2221(13) 0.105(5) Uani 0.531(19) 1 d D U P A 2
H2A H -0.525255 -0.352330 0.215785 0.126 Uiso 0.531(19) 1 calc R . P A 2
C3A C -0.456(2) -0.434(2) 0.2848(15) 0.108(5) Uani 0.531(19) 1 d D U P A 2
H3AA H -0.508483 -0.411399 0.315364 0.162 Uiso 0.531(19) 1 calc R . P A 2
H3AB H -0.463017 -0.510273 0.281429 0.162 Uiso 0.531(19) 1 calc R . P A 2
H3AC H -0.385115 -0.408180 0.302123 0.162 Uiso 0.531(19) 1 calc R . P A 2
F1 F -0.0297(5) 0.0981(6) 0.4313(4) 0.0939(19) Uani 1 1 d . . . . .
F2 F -0.0490(11) 0.2543(7) 0.4512(5) 0.153(5) Uani 1 1 d . . . . .
F3 F -0.1784(6) 0.1448(9) 0.4086(6) 0.144(5) Uani 1 1 d . . . . .
F13 F 0.2312(7) 0.5033(8) 0.4441(5) 0.125(3) Uani 1 1 d . . . . .
F14 F 0.3557(6) 0.4771(6) 0.5090(3) 0.100(2) Uani 1 1 d . . . . .
F15 F 0.3879(10) 0.5777(6) 0.4294(5) 0.144(4) Uani 1 1 d . . . . .
F19 F 0.4778(6) 0.3547(6) -0.0111(3) 0.097(2) Uani 1 1 d . . . . .
F20 F 0.5015(8) 0.2324(6) 0.0525(5) 0.129(4) Uani 1 1 d . . . . .
F21 F 0.5801(6) 0.3844(10) 0.0720(5) 0.147(4) Uani 1 1 d . . . . .
C30 C 0.1066(6) 0.2387(5) 0.2605(4) 0.0518(16) Uani 1 1 d . . . . .
C31 C 0.0677(6) 0.2109(6) 0.3229(4) 0.0550(17) Uani 1 1 d . . . . .
H31 H 0.115468 0.195219 0.357200 0.066 Uiso 1 1 calc R . . . .
C32 C -0.0404(7) 0.2049(7) 0.3375(5) 0.065(2) Uani 1 1 d . . . . .
C33 C -0.1119(7) 0.2252(8) 0.2883(5) 0.070(2) Uani 1 1 d . . . . .
H33 H -0.184984 0.220261 0.297260 0.084 Uiso 1 1 calc R . . . .
C34 C -0.0742(7) 0.2530(8) 0.2256(5) 0.067(2) Uani 1 1 d . . . . .
C35 C 0.0315(6) 0.2580(6) 0.2118(4) 0.0576(17) Uani 1 1 d . . . . .
H35 H 0.054331 0.275168 0.167702 0.069 Uiso 1 1 calc R . . . .
C36 C -0.0767(8) 0.1765(8) 0.4066(6) 0.079(3) Uani 1 1 d . . . . .
C37 C -0.1488(8) 0.2769(10) 0.1715(6) 0.100(3) Uani 1 1 d D U . . .
C38 C 0.2354(6) 0.1104(6) 0.2232(4) 0.0546(17) Uani 1 1 d . . . . .
C39 C 0.2494(7) 0.0360(7) 0.2714(4) 0.0607(19) Uani 1 1 d . . . . .
H39 H 0.262436 0.058302 0.316875 0.073 Uiso 1 1 calc R . . . .
C40 C 0.2446(8) -0.0707(7) 0.2546(5) 0.072(2) Uani 1 1 d . . . . .
C41 C 0.2236(8) -0.1066(7) 0.1898(5) 0.070(2) Uani 1 1 d . . . . .
H41 H 0.220530 -0.178854 0.178455 0.084 Uiso 1 1 calc R . . . .
C42 C 0.2067(7) -0.0338(6) 0.1407(5) 0.0622(19) Uani 1 1 d . . . . .
C43 C 0.2130(6) 0.0721(6) 0.1577(4) 0.0564(17) Uani 1 1 d . . . . .
H43 H 0.201633 0.119980 0.123556 0.068 Uiso 1 1 calc R . . . .
C44 C 0.2639(12) -0.1440(8) 0.3088(6) 0.114(3) Uani 1 1 d D U . . .
C45 C 0.1884(8) -0.0655(7) 0.0689(6) 0.083(2) Uani 1 1 d D U . . .
C46 C 0.3087(6) 0.2744(6) 0.3080(4) 0.0518(16) Uani 1 1 d . . . . .
C47 C 0.2858(6) 0.3560(6) 0.3501(4) 0.0526(16) Uani 1 1 d . . . . .
H47 H 0.220690 0.383659 0.344566 0.063 Uiso 1 1 calc R . . . .
C48 C 0.3571(7) 0.3988(7) 0.4011(4) 0.0625(19) Uani 1 1 d . . . . .
C49 C 0.4509(7) 0.3582(8) 0.4120(4) 0.068(2) Uani 1 1 d . . . . .
H49 H 0.497481 0.383845 0.447706 0.081 Uiso 1 1 calc R . . . .
C50 C 0.4743(7) 0.2795(7) 0.3694(4) 0.0610(19) Uani 1 1 d . . . . .
C51 C 0.4054(6) 0.2371(6) 0.3191(4) 0.0557(17) Uani 1 1 d . . . . .
H51 H 0.424491 0.181370 0.291543 0.067 Uiso 1 1 calc R . . . .
C52 C 0.3303(9) 0.4888(9) 0.4439(5) 0.079(3) Uani 1 1 d . . . . .
C53 C 0.5793(8) 0.2381(8) 0.3788(5) 0.086(2) Uani 1 1 d D U . . .
C54 C 0.2730(6) 0.3117(5) 0.1835(4) 0.0490(15) Uani 1 1 d . . . . .
C55 C 0.2379(6) 0.4094(6) 0.1743(4) 0.0519(16) Uani 1 1 d . . . . .
H55 H 0.183085 0.429512 0.201780 0.062 Uiso 1 1 calc R . . . .
C56 C 0.2800(7) 0.4770(6) 0.1269(4) 0.0565(17) Uani 1 1 d . . . . .
C57 C 0.3612(7) 0.4523(6) 0.0854(4) 0.0608(18) Uani 1 1 d . . . . .
H57 H 0.389448 0.498476 0.051988 0.073 Uiso 1 1 calc R . . . .
C58 C 0.3985(7) 0.3571(6) 0.0954(4) 0.0580(17) Uani 1 1 d . . . . .
C59 C 0.3574(6) 0.2896(6) 0.1425(4) 0.0512(15) Uani 1 1 d . . . . .
H59 H 0.386410 0.225738 0.147878 0.061 Uiso 1 1 calc R . . . .
C60 C 0.4902(8) 0.3312(8) 0.0531(5) 0.072(2) Uani 1 1 d . . . . .
C61 C 0.2403(8) 0.5820(7) 0.1190(5) 0.079(2) Uani 1 1 d D U . . .
B1 B 0.2314(6) 0.2349(6) 0.2439(4) 0.0524(17) Uani 1 1 d . . . . .
F4A F -0.1239(12) 0.3795(14) 0.1538(11) 0.108(4) Uani 0.56(3) 1 d D U P B 2
F5A F -0.1459(17) 0.223(2) 0.1150(8) 0.120(4) Uani 0.56(3) 1 d D U P B 2
F6A F -0.2498(12) 0.266(2) 0.1892(13) 0.108(4) Uani 0.56(3) 1 d D U P B 2
F7A F 0.3692(19) -0.152(3) 0.311(2) 0.125(5) Uani 0.25(2) 1 d D U P C 2
F8A F 0.217(4) -0.236(2) 0.2867(19) 0.118(5) Uani 0.25(2) 1 d D U P C 2
F9A F 0.244(4) -0.124(3) 0.3724(12) 0.128(5) Uani 0.25(2) 1 d D U P C 2
F10A F 0.2683(17) -0.045(2) 0.0291(14) 0.091(4) Uani 0.44(4) 1 d D U P D 2
F11A F 0.105(2) -0.019(2) 0.0473(19) 0.084(5) Uani 0.44(4) 1 d D U P D 2
F12A F 0.153(2) -0.1698(11) 0.0673(14) 0.088(4) Uani 0.44(4) 1 d D U P D 2
F16A F 0.6046(18) 0.165(2) 0.3360(12) 0.102(4) Uani 0.323(14) 1 d D U P E 2
F17A F 0.600(2) 0.200(2) 0.4375(10) 0.093(4) Uani 0.323(14) 1 d D U P E 2
F18A F 0.6623(14) 0.3137(17) 0.3686(15) 0.100(4) Uani 0.323(14) 1 d D U P E 2
F22A F 0.2515(19) 0.6363(12) 0.1748(9) 0.097(4) Uani 0.384(14) 1 d D U P F 2
F23A F 0.280(2) 0.6330(15) 0.0677(11) 0.097(4) Uani 0.384(14) 1 d D U P F 2
F24A F 0.1373(12) 0.5670(13) 0.1084(12) 0.092(4) Uani 0.384(14) 1 d D U P F 2
F4 F -0.1113(15) 0.338(2) 0.1243(12) 0.112(4) Uani 0.44(3) 1 d D U P B 1
F5 F -0.1740(19) 0.1856(18) 0.1314(13) 0.115(4) Uani 0.44(3) 1 d D U P B 1
F6 F -0.2375(18) 0.302(2) 0.1957(15) 0.107(4) Uani 0.44(3) 1 d D U P B 1
F7 F 0.3508(12) -0.1151(9) 0.3435(7) 0.128(4) Uani 0.75(2) 1 d D U P C 1
F8 F 0.2654(15) -0.2430(7) 0.2893(7) 0.120(4) Uani 0.75(2) 1 d D U P C 1
F9 F 0.1837(15) -0.1452(11) 0.3551(7) 0.128(4) Uani 0.75(2) 1 d D U P C 1
F10 F 0.2618(13) -0.0118(15) 0.0282(9) 0.078(3) Uani 0.56(4) 1 d D U P D 1
F11 F 0.0983(15) -0.0425(18) 0.0387(14) 0.081(4) Uani 0.56(4) 1 d D U P D 1
F12 F 0.198(2) -0.1660(10) 0.0532(9) 0.090(4) Uani 0.56(4) 1 d D U P D 1
F16 F 0.6439(8) 0.2706(12) 0.3314(7) 0.105(3) Uani 0.677(14) 1 d D U P E 1
F17 F 0.5696(8) 0.1341(8) 0.3737(7) 0.099(3) Uani 0.677(14) 1 d D U P E 1
F18 F 0.6221(10) 0.2608(13) 0.4383(6) 0.101(3) Uani 0.677(14) 1 d D U P E 1
F22 F 0.3120(10) 0.6598(7) 0.1428(8) 0.100(3) Uani 0.616(14) 1 d D U P F 1
F23 F 0.2242(13) 0.6055(9) 0.0556(5) 0.093(3) Uani 0.616(14) 1 d D U P F 1
F24 F 0.1513(11) 0.5930(10) 0.1496(8) 0.101(3) Uani 0.616(14) 1 d D U P F 1
C1 C -0.4225(19) -0.4057(19) 0.3243(13) 0.087(5) Uani 0.469(19) 1 d D U P A 1
H1A H -0.467258 -0.353996 0.314498 0.104 Uiso 0.469(19) 1 calc R . P A 1
H1B H -0.397737 -0.412598 0.369016 0.104 Uiso 0.469(19) 1 calc R . P A 1
C2 C -0.395(2) -0.4660(19) 0.2772(14) 0.099(4) Uani 0.469(19) 1 d D U P A 1
H2 H -0.350677 -0.518137 0.286053 0.118 Uiso 0.469(19) 1 calc R . P A 1
C3 C -0.434(3) -0.453(2) 0.2123(16) 0.109(5) Uani 0.469(19) 1 d D U P A 1
H3A H -0.407320 -0.503544 0.181301 0.163 Uiso 0.469(19) 1 calc R . P A 1
H3B H -0.510855 -0.463555 0.212128 0.163 Uiso 0.469(19) 1 calc R . P A 1
H3C H -0.410227 -0.381916 0.197828 0.163 Uiso 0.469(19) 1 calc R . P A 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 2.232(2) . ?
Rh1 P2 2.238(2) . ?
Rh1 C1A 2.273(19) . ?
Rh1 C2A 2.201(18) . ?
Rh1 C3A 2.34(2) . ?
Rh1 C1 2.259(16) . ?
Rh1 C2 2.18(2) . ?
Rh1 C3 2.33(2) . ?
P1 C4 1.863(10) . ?
P1 C6 1.847(8) . ?
P1 C12 1.860(7) . ?
P2 C5 1.852(9) . ?
P2 C18 1.850(7) . ?
P2 C24 1.849(7) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C4 C5 1.553(12) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 H6 1.0000 . ?
C6 C7 1.521(15) . ?
C6 C11 1.540(10) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C7 C8 1.544(11) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C8 C9 1.515(12) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C9 C10 1.527(18) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C10 C11 1.538(12) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 H12 1.0000 . ?
C12 C13 1.504(16) . ?
C12 C17 1.500(11) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 C14 1.529(13) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C14 C15 1.504(18) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C15 C16 1.489(19) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C16 C17 1.543(12) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 H18 1.0000 . ?
C18 C19 1.504(12) . ?
C18 C23 1.476(19) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C19 C20 1.562(12) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C20 C21 1.50(2) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C21 C22 1.510(18) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C22 C23 1.550(14) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 H24 1.0000 . ?
C24 C25 1.516(13) . ?
C24 C29 1.536(9) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C25 C26 1.538(12) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C26 C27 1.528(11) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C27 C28 1.512(17) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C28 C29 1.549(12) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C1A H1AA 0.9500 . ?
C1A H1AB 0.9500 . ?
C1A C2A 1.27(3) . ?
C2A H2A 0.9500 . ?
C2A C3A 1.38(3) . ?
C3A H3AA 0.9800 . ?
C3A H3AB 0.9800 . ?
C3A H3AC 0.9800 . ?
F1 C36 1.334(11) . ?
F2 C36 1.337(17) . ?
F3 C36 1.320(14) . ?
F13 C52 1.303(13) . ?
F14 C52 1.348(13) . ?
F15 C52 1.329(16) . ?
F19 C60 1.329(13) . ?
F20 C60 1.299(12) . ?
F21 C60 1.317(15) . ?
C30 C31 1.383(11) . ?
C30 C35 1.403(12) . ?
C30 B1 1.641(11) . ?
C31 H31 0.9500 . ?
C31 C32 1.411(12) . ?
C32 C33 1.382(14) . ?
C32 C36 1.497(14) . ?
C33 H33 0.9500 . ?
C33 C34 1.382(14) . ?
C34 C35 1.379(12) . ?
C34 C37 1.491(16) . ?
C35 H35 0.9500 . ?
C37 F4A 1.380(17) . ?
C37 F5A 1.313(17) . ?
C37 F6A 1.337(16) . ?
C37 F4 1.302(17) . ?
C37 F5 1.410(18) . ?
C37 F6 1.312(18) . ?
C38 C39 1.395(11) . ?
C38 C43 1.397(12) . ?
C38 B1 1.656(11) . ?
C39 H39 0.9500 . ?
C39 C40 1.402(13) . ?
C40 C41 1.373(16) . ?
C40 C44 1.486(15) . ?
C41 H41 0.9500 . ?
C41 C42 1.401(14) . ?
C42 C43 1.393(12) . ?
C42 C45 1.484(15) . ?
C43 H43 0.9500 . ?
C44 F7A 1.36(2) . ?
C44 F8A 1.33(2) . ?
C44 F9A 1.32(2) . ?
C44 F7 1.315(16) . ?
C44 F8 1.329(14) . ?
C44 F9 1.386(16) . ?
C45 F10A 1.307(19) . ?
C45 F11A 1.355(18) . ?
C45 F12A 1.371(16) . ?
C45 F10 1.383(16) . ?
C45 F11 1.360(17) . ?
C45 F12 1.347(15) . ?
C46 C47 1.390(11) . ?
C46 C51 1.396(10) . ?
C46 B1 1.639(12) . ?
C47 H47 0.9500 . ?
C47 C48 1.413(13) . ?
C48 C49 1.382(12) . ?
C48 C52 1.497(12) . ?
C49 H49 0.9500 . ?
C49 C50 1.368(13) . ?
C50 C51 1.384(13) . ?
C50 C53 1.514(11) . ?
C51 H51 0.9500 . ?
C53 F16A 1.330(17) . ?
C53 F17A 1.310(17) . ?
C53 F18A 1.378(19) . ?
C53 F16 1.306(13) . ?
C53 F17 1.335(14) . ?
C53 F18 1.310(13) . ?
C54 C55 1.401(9) . ?
C54 C59 1.413(10) . ?
C54 B1 1.630(11) . ?
C55 H55 0.9500 . ?
C55 C56 1.372(12) . ?
C56 C57 1.394(11) . ?
C56 C61 1.512(10) . ?
C57 H57 0.9500 . ?
C57 C58 1.387(11) . ?
C58 C59 1.361(12) . ?
C58 C60 1.516(11) . ?
C59 H59 0.9500 . ?
C61 F22A 1.294(16) . ?
C61 F23A 1.303(17) . ?
C61 F24A 1.325(16) . ?
C61 F22 1.352(14) . ?
C61 F23 1.323(13) . ?
C61 F24 1.319(13) . ?
C1 H1A 0.9500 . ?
C1 H1B 0.9500 . ?
C1 C2 1.28(3) . ?
C2 H2 0.9500 . ?
C2 C3 1.40(3) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 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 85.04(7) . . ?
P1 Rh1 C1A 171.1(8) . . ?
P1 Rh1 C3A 120.9(7) . . ?
P1 Rh1 C1 97.7(7) . . ?
P1 Rh1 C3 152.9(8) . . ?
P2 Rh1 C1A 95.3(7) . . ?
P2 Rh1 C3A 152.6(7) . . ?
P2 Rh1 C1 167.8(7) . . ?
P2 Rh1 C3 120.3(8) . . ?
C1A Rh1 C3A 60.7(10) . . ?
C2A Rh1 P1 152.4(7) . . ?
C2A Rh1 P2 117.5(7) . . ?
C2A Rh1 C1A 33.0(8) . . ?
C2A Rh1 C3A 35.1(8) . . ?
C1 Rh1 C3 59.9(11) . . ?
C2 Rh1 P1 117.1(8) . . ?
C2 Rh1 P2 152.7(8) . . ?
C2 Rh1 C1 33.5(9) . . ?
C2 Rh1 C3 35.8(8) . . ?
C4 P1 Rh1 112.2(3) . . ?
C6 P1 Rh1 114.2(3) . . ?
C6 P1 C4 105.3(4) . . ?
C6 P1 C12 104.7(3) . . ?
C12 P1 Rh1 114.7(3) . . ?
C12 P1 C4 104.8(4) . . ?
C5 P2 Rh1 111.7(3) . . ?
C18 P2 Rh1 114.8(3) . . ?
C18 P2 C5 105.3(4) . . ?
C24 P2 Rh1 113.9(3) . . ?
C24 P2 C5 106.0(4) . . ?
C24 P2 C18 104.3(3) . . ?
P1 C4 H4A 109.8 . . ?
P1 C4 H4B 109.8 . . ?
H4A C4 H4B 108.3 . . ?
C5 C4 P1 109.3(7) . . ?
C5 C4 H4A 109.8 . . ?
C5 C4 H4B 109.8 . . ?
P2 C5 H5A 109.5 . . ?
P2 C5 H5B 109.5 . . ?
C4 C5 P2 110.7(7) . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 108.1 . . ?
P1 C6 H6 106.6 . . ?
C7 C6 P1 115.2(6) . . ?
C7 C6 H6 106.6 . . ?
C7 C6 C11 110.2(8) . . ?
C11 C6 P1 111.0(6) . . ?
C11 C6 H6 106.6 . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
C6 C7 C8 110.9(8) . . ?
H7A C7 H7B 108.0 . . ?
C8 C7 H7A 109.5 . . ?
C8 C7 H7B 109.5 . . ?
C7 C8 H8A 109.3 . . ?
C7 C8 H8B 109.3 . . ?
H8A C8 H8B 108.0 . . ?
C9 C8 C7 111.6(7) . . ?
C9 C8 H8A 109.3 . . ?
C9 C8 H8B 109.3 . . ?
C8 C9 H9A 109.3 . . ?
C8 C9 H9B 109.3 . . ?
C8 C9 C10 111.5(8) . . ?
H9A C9 H9B 108.0 . . ?
C10 C9 H9A 109.3 . . ?
C10 C9 H9B 109.3 . . ?
C9 C10 H10A 109.4 . . ?
C9 C10 H10B 109.4 . . ?
C9 C10 C11 111.1(10) . . ?
H10A C10 H10B 108.0 . . ?
C11 C10 H10A 109.4 . . ?
C11 C10 H10B 109.4 . . ?
C6 C11 H11A 109.7 . . ?
C6 C11 H11B 109.7 . . ?
C10 C11 C6 109.6(7) . . ?
C10 C11 H11A 109.7 . . ?
C10 C11 H11B 109.7 . . ?
H11A C11 H11B 108.2 . . ?
P1 C12 H12 107.8 . . ?
C13 C12 P1 109.7(7) . . ?
C13 C12 H12 107.8 . . ?
C17 C12 P1 112.5(6) . . ?
C17 C12 H12 107.8 . . ?
C17 C12 C13 111.1(9) . . ?
C12 C13 H13A 109.4 . . ?
C12 C13 H13B 109.4 . . ?
C12 C13 C14 111.2(11) . . ?
H13A C13 H13B 108.0 . . ?
C14 C13 H13A 109.4 . . ?
C14 C13 H13B 109.4 . . ?
C13 C14 H14A 109.6 . . ?
C13 C14 H14B 109.6 . . ?
H14A C14 H14B 108.1 . . ?
C15 C14 C13 110.3(12) . . ?
C15 C14 H14A 109.6 . . ?
C15 C14 H14B 109.6 . . ?
C14 C15 H15A 109.6 . . ?
C14 C15 H15B 109.6 . . ?
H15A C15 H15B 108.1 . . ?
C16 C15 C14 110.3(10) . . ?
C16 C15 H15A 109.6 . . ?
C16 C15 H15B 109.6 . . ?
C15 C16 H16A 109.3 . . ?
C15 C16 H16B 109.3 . . ?
C15 C16 C17 111.4(10) . . ?
H16A C16 H16B 108.0 . . ?
C17 C16 H16A 109.3 . . ?
C17 C16 H16B 109.3 . . ?
C12 C17 C16 110.6(8) . . ?
C12 C17 H17A 109.5 . . ?
C12 C17 H17B 109.5 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 108.1 . . ?
P2 C18 H18 107.5 . . ?
C19 C18 P2 113.3(6) . . ?
C19 C18 H18 107.5 . . ?
C23 C18 P2 110.9(8) . . ?
C23 C18 H18 107.5 . . ?
C23 C18 C19 109.9(10) . . ?
C18 C19 H19A 109.6 . . ?
C18 C19 H19B 109.6 . . ?
C18 C19 C20 110.2(9) . . ?
H19A C19 H19B 108.1 . . ?
C20 C19 H19A 109.6 . . ?
C20 C19 H19B 109.6 . . ?
C19 C20 H20A 109.4 . . ?
C19 C20 H20B 109.4 . . ?
H20A C20 H20B 108.0 . . ?
C21 C20 C19 111.0(11) . . ?
C21 C20 H20A 109.4 . . ?
C21 C20 H20B 109.4 . . ?
C20 C21 H21A 110.2 . . ?
C20 C21 H21B 110.2 . . ?
C20 C21 C22 107.8(10) . . ?
H21A C21 H21B 108.5 . . ?
C22 C21 H21A 110.2 . . ?
C22 C21 H21B 110.2 . . ?
C21 C22 H22A 109.7 . . ?
C21 C22 H22B 109.7 . . ?
C21 C22 C23 109.9(12) . . ?
H22A C22 H22B 108.2 . . ?
C23 C22 H22A 109.7 . . ?
C23 C22 H22B 109.7 . . ?
C18 C23 C22 112.4(13) . . ?
C18 C23 H23A 109.1 . . ?
C18 C23 H23B 109.1 . . ?
C22 C23 H23A 109.1 . . ?
C22 C23 H23B 109.1 . . ?
H23A C23 H23B 107.8 . . ?
P2 C24 H24 106.6 . . ?
C25 C24 P2 114.8(6) . . ?
C25 C24 H24 106.6 . . ?
C25 C24 C29 109.9(7) . . ?
C29 C24 P2 111.8(5) . . ?
C29 C24 H24 106.6 . . ?
C24 C25 H25A 109.4 . . ?
C24 C25 H25B 109.4 . . ?
C24 C25 C26 111.1(8) . . ?
H25A C25 H25B 108.0 . . ?
C26 C25 H25A 109.4 . . ?
C26 C25 H25B 109.4 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 108.1 . . ?
C27 C26 C25 110.9(7) . . ?
C27 C26 H26A 109.5 . . ?
C27 C26 H26B 109.5 . . ?
C26 C27 H27A 109.1 . . ?
C26 C27 H27B 109.1 . . ?
H27A C27 H27B 107.9 . . ?
C28 C27 C26 112.3(8) . . ?
C28 C27 H27A 109.1 . . ?
C28 C27 H27B 109.1 . . ?
C27 C28 H28A 109.6 . . ?
C27 C28 H28B 109.6 . . ?
C27 C28 C29 110.1(9) . . ?
H28A C28 H28B 108.2 . . ?
C29 C28 H28A 109.6 . . ?
C29 C28 H28B 109.6 . . ?
C24 C29 C28 109.4(7) . . ?
C24 C29 H29A 109.8 . . ?
C24 C29 H29B 109.8 . . ?
C28 C29 H29A 109.8 . . ?
C28 C29 H29B 109.8 . . ?
H29A C29 H29B 108.2 . . ?
Rh1 C1A H1AA 80.5 . . ?
Rh1 C1A H1AB 120.1 . . ?
H1AA C1A H1AB 120.0 . . ?
C2A C1A Rh1 70.4(13) . . ?
C2A C1A H1AA 120.0 . . ?
C2A C1A H1AB 120.0 . . ?
Rh1 C2A H2A 117.3 . . ?
C1A C2A Rh1 76.6(13) . . ?
C1A C2A H2A 118.3 . . ?
C1A C2A C3A 123(3) . . ?
C3A C2A Rh1 78.2(13) . . ?
C3A C2A H2A 118.3 . . ?
Rh1 C3A H3AA 119.7 . . ?
Rh1 C3A H3AB 129.1 . . ?
Rh1 C3A H3AC 43.0 . . ?
C2A C3A Rh1 66.7(12) . . ?
C2A C3A H3AA 109.5 . . ?
C2A C3A H3AB 109.5 . . ?
C2A C3A H3AC 109.5 . . ?
H3AA C3A H3AB 109.5 . . ?
H3AA C3A H3AC 109.5 . . ?
H3AB C3A H3AC 109.5 . . ?
C31 C30 C35 115.9(7) . . ?
C31 C30 B1 120.5(7) . . ?
C35 C30 B1 123.2(7) . . ?
C30 C31 H31 118.9 . . ?
C30 C31 C32 122.3(8) . . ?
C32 C31 H31 118.9 . . ?
C31 C32 C36 119.4(9) . . ?
C33 C32 C31 120.2(8) . . ?
C33 C32 C36 120.4(9) . . ?
C32 C33 H33 120.9 . . ?
C34 C33 C32 118.2(8) . . ?
C34 C33 H33 120.9 . . ?
C33 C34 C37 119.7(9) . . ?
C35 C34 C33 121.2(9) . . ?
C35 C34 C37 119.1(9) . . ?
C30 C35 H35 118.9 . . ?
C34 C35 C30 122.3(8) . . ?
C34 C35 H35 118.9 . . ?
F1 C36 F2 102.8(11) . . ?
F1 C36 C32 112.5(8) . . ?
F2 C36 C32 111.3(9) . . ?
F3 C36 F1 105.2(9) . . ?
F3 C36 F2 111.6(10) . . ?
F3 C36 C32 112.9(11) . . ?
F4A C37 C34 108.5(11) . . ?
F5A C37 C34 116.0(12) . . ?
F5A C37 F4A 104.9(13) . . ?
F5A C37 F6A 105.3(14) . . ?
F6A C37 C34 114.4(14) . . ?
F6A C37 F4A 107.2(14) . . ?
F4 C37 C34 117.2(12) . . ?
F4 C37 F5 97.9(15) . . ?
F4 C37 F6 113.1(18) . . ?
F5 C37 C34 107.9(14) . . ?
F6 C37 C34 112.2(17) . . ?
F6 C37 F5 106.8(16) . . ?
C39 C38 C43 116.1(8) . . ?
C39 C38 B1 122.0(7) . . ?
C43 C38 B1 121.5(7) . . ?
C38 C39 H39 119.0 . . ?
C38 C39 C40 122.0(9) . . ?
C40 C39 H39 119.0 . . ?
C39 C40 C44 118.4(10) . . ?
C41 C40 C39 121.0(9) . . ?
C41 C40 C44 120.7(9) . . ?
C40 C41 H41 120.9 . . ?
C40 C41 C42 118.2(9) . . ?
C42 C41 H41 120.9 . . ?
C41 C42 C45 121.6(8) . . ?
C43 C42 C41 120.4(9) . . ?
C43 C42 C45 117.9(8) . . ?
C38 C43 H43 118.8 . . ?
C42 C43 C38 122.3(8) . . ?
C42 C43 H43 118.8 . . ?
F7A C44 C40 107.4(16) . . ?
F8A C44 C40 105(2) . . ?
F8A C44 F7A 107(2) . . ?
F9A C44 C40 122(2) . . ?
F9A C44 F7A 102(2) . . ?
F9A C44 F8A 113(2) . . ?
F7 C44 C40 113.0(11) . . ?
F7 C44 F8 107.7(12) . . ?
F7 C44 F9 105.2(12) . . ?
F8 C44 C40 115.8(12) . . ?
F8 C44 F9 105.3(13) . . ?
F9 C44 C40 109.1(11) . . ?
F10A C45 C42 116.2(15) . . ?
F10A C45 F11A 111(2) . . ?
F10A C45 F12A 111.4(14) . . ?
F11A C45 C42 106.8(17) . . ?
F11A C45 F12A 103.8(15) . . ?
F12A C45 C42 106.9(13) . . ?
F10 C45 C42 111.3(11) . . ?
F11 C45 C42 117.9(14) . . ?
F11 C45 F10 99.8(15) . . ?
F12 C45 C42 115.9(11) . . ?
F12 C45 F10 102.9(12) . . ?
F12 C45 F11 107.0(13) . . ?
C47 C46 C51 116.2(8) . . ?
C47 C46 B1 120.8(6) . . ?
C51 C46 B1 122.6(7) . . ?
C46 C47 H47 119.2 . . ?
C46 C47 C48 121.6(7) . . ?
C48 C47 H47 119.2 . . ?
C47 C48 C52 119.6(8) . . ?
C49 C48 C47 120.7(8) . . ?
C49 C48 C52 119.7(9) . . ?
C48 C49 H49 121.3 . . ?
C50 C49 C48 117.5(8) . . ?
C50 C49 H49 121.3 . . ?
C49 C50 C51 122.4(7) . . ?
C49 C50 C53 117.8(8) . . ?
C51 C50 C53 119.8(8) . . ?
C46 C51 H51 119.2 . . ?
C50 C51 C46 121.5(7) . . ?
C50 C51 H51 119.2 . . ?
F13 C52 F14 104.8(9) . . ?
F13 C52 F15 109.4(11) . . ?
F13 C52 C48 115.5(9) . . ?
F14 C52 C48 111.4(8) . . ?
F15 C52 F14 102.3(10) . . ?
F15 C52 C48 112.4(9) . . ?
F16A C53 C50 118.3(12) . . ?
F16A C53 F18A 99.5(16) . . ?
F17A C53 C50 117.6(12) . . ?
F17A C53 F16A 102.8(16) . . ?
F17A C53 F18A 104.4(17) . . ?
F18A C53 C50 111.9(11) . . ?
F16 C53 C50 110.7(8) . . ?
F16 C53 F17 105.4(10) . . ?
F16 C53 F18 110.7(12) . . ?
F17 C53 C50 111.4(9) . . ?
F18 C53 C50 113.2(9) . . ?
F18 C53 F17 105.0(10) . . ?
C55 C54 C59 115.3(7) . . ?
C55 C54 B1 122.8(6) . . ?
C59 C54 B1 121.4(6) . . ?
C54 C55 H55 118.9 . . ?
C56 C55 C54 122.1(7) . . ?
C56 C55 H55 118.9 . . ?
C55 C56 C57 121.6(6) . . ?
C55 C56 C61 120.4(7) . . ?
C57 C56 C61 118.0(7) . . ?
C56 C57 H57 121.7 . . ?
C58 C57 C56 116.7(7) . . ?
C58 C57 H57 121.7 . . ?
C57 C58 C60 117.3(8) . . ?
C59 C58 C57 122.1(7) . . ?
C59 C58 C60 120.5(7) . . ?
C54 C59 H59 119.0 . . ?
C58 C59 C54 122.1(6) . . ?
C58 C59 H59 119.0 . . ?
F19 C60 C58 112.0(8) . . ?
F20 C60 F19 105.4(9) . . ?
F20 C60 F21 108.5(11) . . ?
F20 C60 C58 112.6(8) . . ?
F21 C60 F19 104.8(9) . . ?
F21 C60 C58 113.0(9) . . ?
F22A C61 C56 110.8(9) . . ?
F22A C61 F23A 112.9(15) . . ?
F22A C61 F24A 104.3(14) . . ?
F23A C61 C56 113.5(11) . . ?
F23A C61 F24A 106.3(15) . . ?
F24A C61 C56 108.5(10) . . ?
F22 C61 C56 110.9(8) . . ?
F23 C61 C56 113.5(8) . . ?
F23 C61 F22 104.5(10) . . ?
F24 C61 C56 115.1(8) . . ?
F24 C61 F22 106.8(11) . . ?
F24 C61 F23 105.4(10) . . ?
C30 B1 C38 102.5(5) . . ?
C46 B1 C30 112.5(6) . . ?
C46 B1 C38 112.8(6) . . ?
C54 B1 C30 113.2(6) . . ?
C54 B1 C38 112.1(6) . . ?
C54 B1 C46 104.1(6) . . ?
Rh1 C1 H1A 82.7 . . ?
Rh1 C1 H1B 118.0 . . ?
H1A C1 H1B 120.0 . . ?
C2 C1 Rh1 70.0(12) . . ?
C2 C1 H1A 120.0 . . ?
C2 C1 H1B 120.0 . . ?
Rh1 C2 H2 115.1 . . ?
C1 C2 Rh1 76.6(12) . . ?
C1 C2 H2 121.1 . . ?
C1 C2 C3 118(3) . . ?
C3 C2 Rh1 78.1(14) . . ?
C3 C2 H2 121.1 . . ?
Rh1 C3 H3A 117.5 . . ?
Rh1 C3 H3B 131.4 . . ?
Rh1 C3 H3C 44.0 . . ?
C2 C3 Rh1 66.1(13) . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 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 C4 C5 -29.4(6) . . . . ?
Rh1 P1 C6 C7 -177.3(5) . . . . ?
Rh1 P1 C6 C11 -51.1(8) . . . . ?
Rh1 P1 C12 C13 -63.6(10) . . . . ?
Rh1 P1 C12 C17 60.7(9) . . . . ?
Rh1 P2 C5 C4 -29.3(5) . . . . ?
Rh1 P2 C18 C19 65.2(9) . . . . ?
Rh1 P2 C18 C23 -59.0(11) . . . . ?
Rh1 P2 C24 C25 -174.8(5) . . . . ?
Rh1 P2 C24 C29 -48.6(8) . . . . ?
Rh1 C1A C2A C3A -66(2) . . . . ?
Rh1 C1 C2 C3 -69(2) . . . . ?
P1 C4 C5 P2 35.7(6) . . . . ?
P1 C6 C7 C8 -175.9(6) . . . . ?
P1 C6 C11 C10 172.4(8) . . . . ?
P1 C12 C13 C14 -178.9(12) . . . . ?
P1 C12 C17 C16 -178.0(9) . . . . ?
P2 C18 C19 C20 179.9(9) . . . . ?
P2 C18 C23 C22 -177.6(13) . . . . ?
P2 C24 C25 C26 -174.5(6) . . . . ?
P2 C24 C29 C28 171.3(8) . . . . ?
C4 P1 C6 C7 -53.7(7) . . . . ?
C4 P1 C6 C11 72.4(8) . . . . ?
C4 P1 C12 C13 173.0(10) . . . . ?
C4 P1 C12 C17 -62.8(9) . . . . ?
C5 P2 C18 C19 -58.1(9) . . . . ?
C5 P2 C18 C23 177.7(11) . . . . ?
C5 P2 C24 C25 -51.6(7) . . . . ?
C5 P2 C24 C29 74.6(8) . . . . ?
C6 P1 C4 C5 -154.2(5) . . . . ?
C6 P1 C12 C13 62.4(11) . . . . ?
C6 P1 C12 C17 -173.4(8) . . . . ?
C6 C7 C8 C9 -55.3(12) . . . . ?
C7 C6 C11 C10 -58.8(12) . . . . ?
C7 C8 C9 C10 53.9(13) . . . . ?
C8 C9 C10 C11 -55.6(12) . . . . ?
C9 C10 C11 C6 57.6(12) . . . . ?
C11 C6 C7 C8 57.6(10) . . . . ?
C12 P1 C4 C5 95.6(6) . . . . ?
C12 P1 C6 C7 56.5(7) . . . . ?
C12 P1 C6 C11 -177.4(8) . . . . ?
C12 C13 C14 C15 -57(2) . . . . ?
C13 C12 C17 C16 -54.6(15) . . . . ?
C13 C14 C15 C16 57.9(18) . . . . ?
C14 C15 C16 C17 -57.4(15) . . . . ?
C15 C16 C17 C12 55.9(15) . . . . ?
C17 C12 C13 C14 56.0(18) . . . . ?
C18 P2 C5 C4 96.0(6) . . . . ?
C18 P2 C24 C25 59.3(7) . . . . ?
C18 P2 C24 C29 -174.5(7) . . . . ?
C18 C19 C20 C21 59.0(16) . . . . ?
C19 C18 C23 C22 56.2(19) . . . . ?
C19 C20 C21 C22 -60.2(15) . . . . ?
C20 C21 C22 C23 59.0(19) . . . . ?
C21 C22 C23 C18 -59(2) . . . . ?
C23 C18 C19 C20 -55.4(16) . . . . ?
C24 P2 C5 C4 -153.9(5) . . . . ?
C24 P2 C18 C19 -169.5(9) . . . . ?
C24 P2 C18 C23 66.3(11) . . . . ?
C24 C25 C26 C27 -54.8(12) . . . . ?
C25 C24 C29 C28 -59.9(11) . . . . ?
C25 C26 C27 C28 54.0(13) . . . . ?
C26 C27 C28 C29 -56.1(12) . . . . ?
C27 C28 C29 C24 58.5(11) . . . . ?
C29 C24 C25 C26 58.4(10) . . . . ?
C1A C2A C3A Rh1 65(2) . . . . ?
C30 C31 C32 C33 1.3(13) . . . . ?
C30 C31 C32 C36 -178.6(8) . . . . ?
C31 C30 C35 C34 2.1(11) . . . . ?
C31 C30 B1 C38 82.7(8) . . . . ?
C31 C30 B1 C46 -38.8(9) . . . . ?
C31 C30 B1 C54 -156.4(7) . . . . ?
C31 C32 C33 C34 -1.1(14) . . . . ?
C31 C32 C36 F1 -43.0(14) . . . . ?
C31 C32 C36 F2 71.8(12) . . . . ?
C31 C32 C36 F3 -161.8(9) . . . . ?
C32 C33 C34 C35 1.5(15) . . . . ?
C32 C33 C34 C37 -179.2(9) . . . . ?
C33 C32 C36 F1 137.1(10) . . . . ?
C33 C32 C36 F2 -108.1(12) . . . . ?
C33 C32 C36 F3 18.3(14) . . . . ?
C33 C34 C35 C30 -2.0(14) . . . . ?
C33 C34 C37 F4A 117.6(14) . . . . ?
C33 C34 C37 F5A -124.8(16) . . . . ?
C33 C34 C37 F6A -2(2) . . . . ?
C33 C34 C37 F4 155(2) . . . . ?
C33 C34 C37 F5 -96.0(16) . . . . ?
C33 C34 C37 F6 21(2) . . . . ?
C35 C30 C31 C32 -1.7(11) . . . . ?
C35 C30 B1 C38 -89.8(8) . . . . ?
C35 C30 B1 C46 148.7(7) . . . . ?
C35 C30 B1 C54 31.1(10) . . . . ?
C35 C34 C37 F4A -63.0(15) . . . . ?
C35 C34 C37 F5A 54.6(18) . . . . ?
C35 C34 C37 F6A 177.5(15) . . . . ?
C35 C34 C37 F4 -26(2) . . . . ?
C35 C34 C37 F5 83.3(15) . . . . ?
C35 C34 C37 F6 -159.2(17) . . . . ?
C36 C32 C33 C34 178.8(9) . . . . ?
C37 C34 C35 C30 178.6(9) . . . . ?
C38 C39 C40 C41 -1.5(15) . . . . ?
C38 C39 C40 C44 178.0(9) . . . . ?
C39 C38 C43 C42 -1.2(12) . . . . ?
C39 C38 B1 C30 -87.1(9) . . . . ?
C39 C38 B1 C46 34.1(10) . . . . ?
C39 C38 B1 C54 151.2(7) . . . . ?
C39 C40 C41 C42 -0.1(15) . . . . ?
C39 C40 C44 F7A -90(2) . . . . ?
C39 C40 C44 F8A 157(2) . . . . ?
C39 C40 C44 F9A 27(3) . . . . ?
C39 C40 C44 F7 -50.8(15) . . . . ?
C39 C40 C44 F8 -175.7(14) . . . . ?
C39 C40 C44 F9 65.9(15) . . . . ?
C40 C41 C42 C43 1.0(14) . . . . ?
C40 C41 C42 C45 177.1(9) . . . . ?
C41 C40 C44 F7A 90(2) . . . . ?
C41 C40 C44 F8A -23(3) . . . . ?
C41 C40 C44 F9A -153(3) . . . . ?
C41 C40 C44 F7 128.7(13) . . . . ?
C41 C40 C44 F8 4(2) . . . . ?
C41 C40 C44 F9 -114.6(13) . . . . ?
C41 C42 C43 C38 -0.3(13) . . . . ?
C41 C42 C45 F10A -102.5(17) . . . . ?
C41 C42 C45 F11A 133.2(18) . . . . ?
C41 C42 C45 F12A 22.6(16) . . . . ?
C41 C42 C45 F10 -122.5(12) . . . . ?
C41 C42 C45 F11 123.1(15) . . . . ?
C41 C42 C45 F12 -5.5(19) . . . . ?
C43 C38 C39 C40 2.1(12) . . . . ?
C43 C38 B1 C30 85.4(8) . . . . ?
C43 C38 B1 C46 -153.4(7) . . . . ?
C43 C38 B1 C54 -36.3(10) . . . . ?
C43 C42 C45 F10A 73.7(17) . . . . ?
C43 C42 C45 F11A -50.6(19) . . . . ?
C43 C42 C45 F12A -161.2(14) . . . . ?
C43 C42 C45 F10 53.7(13) . . . . ?
C43 C42 C45 F11 -60.7(17) . . . . ?
C43 C42 C45 F12 170.7(15) . . . . ?
C44 C40 C41 C42 -179.6(10) . . . . ?
C45 C42 C43 C38 -176.6(8) . . . . ?
C46 C47 C48 C49 -2.2(13) . . . . ?
C46 C47 C48 C52 178.2(9) . . . . ?
C47 C46 C51 C50 0.0(12) . . . . ?
C47 C46 B1 C30 -37.0(9) . . . . ?
C47 C46 B1 C38 -152.3(7) . . . . ?
C47 C46 B1 C54 85.9(8) . . . . ?
C47 C48 C49 C50 3.6(14) . . . . ?
C47 C48 C52 F13 18.5(15) . . . . ?
C47 C48 C52 F14 137.9(9) . . . . ?
C47 C48 C52 F15 -108.0(12) . . . . ?
C48 C49 C50 C51 -3.4(14) . . . . ?
C48 C49 C50 C53 177.0(9) . . . . ?
C49 C48 C52 F13 -161.2(11) . . . . ?
C49 C48 C52 F14 -41.7(14) . . . . ?
C49 C48 C52 F15 72.4(14) . . . . ?
C49 C50 C51 C46 1.6(14) . . . . ?
C49 C50 C53 F16A -177.4(18) . . . . ?
C49 C50 C53 F17A 58(2) . . . . ?
C49 C50 C53 F18A -62.6(17) . . . . ?
C49 C50 C53 F16 -105.9(13) . . . . ?
C49 C50 C53 F17 137.1(11) . . . . ?
C49 C50 C53 F18 19.0(16) . . . . ?
C51 C46 C47 C48 0.3(12) . . . . ?
C51 C46 B1 C30 150.3(7) . . . . ?
C51 C46 B1 C38 34.9(10) . . . . ?
C51 C46 B1 C54 -86.8(8) . . . . ?
C51 C50 C53 F16A 3(2) . . . . ?
C51 C50 C53 F17A -121.4(19) . . . . ?
C51 C50 C53 F18A 117.8(16) . . . . ?
C51 C50 C53 F16 74.5(14) . . . . ?
C51 C50 C53 F17 -42.5(13) . . . . ?
C51 C50 C53 F18 -160.6(12) . . . . ?
C52 C48 C49 C50 -176.7(9) . . . . ?
C53 C50 C51 C46 -178.8(8) . . . . ?
C54 C55 C56 C57 -0.5(13) . . . . ?
C54 C55 C56 C61 -179.5(8) . . . . ?
C55 C54 C59 C58 -2.6(12) . . . . ?
C55 C54 B1 C30 36.2(10) . . . . ?
C55 C54 B1 C38 151.6(7) . . . . ?
C55 C54 B1 C46 -86.2(8) . . . . ?
C55 C56 C57 C58 -1.3(13) . . . . ?
C55 C56 C61 F22A 58.5(17) . . . . ?
C55 C56 C61 F23A -173.3(16) . . . . ?
C55 C56 C61 F24A -55.4(15) . . . . ?
C55 C56 C61 F22 107.7(12) . . . . ?
C55 C56 C61 F23 -135.0(12) . . . . ?
C55 C56 C61 F24 -13.6(15) . . . . ?
C56 C57 C58 C59 1.1(14) . . . . ?
C56 C57 C58 C60 -177.2(9) . . . . ?
C57 C56 C61 F22A -120.5(15) . . . . ?
C57 C56 C61 F23A 7.7(19) . . . . ?
C57 C56 C61 F24A 125.6(14) . . . . ?
C57 C56 C61 F22 -71.3(13) . . . . ?
C57 C56 C61 F23 45.9(14) . . . . ?
C57 C56 C61 F24 167.4(12) . . . . ?
C57 C58 C59 C54 0.9(14) . . . . ?
C57 C58 C60 F19 -44.3(12) . . . . ?
C57 C58 C60 F20 -162.9(10) . . . . ?
C57 C58 C60 F21 73.8(13) . . . . ?
C59 C54 C55 C56 2.4(12) . . . . ?
C59 C54 B1 C30 -152.3(7) . . . . ?
C59 C54 B1 C38 -36.9(10) . . . . ?
C59 C54 B1 C46 85.3(8) . . . . ?
C59 C58 C60 F19 137.5(9) . . . . ?
C59 C58 C60 F20 18.8(15) . . . . ?
C59 C58 C60 F21 -104.5(12) . . . . ?
C60 C58 C59 C54 179.1(8) . . . . ?
C61 C56 C57 C58 177.8(8) . . . . ?
B1 C30 C31 C32 -174.7(7) . . . . ?
B1 C30 C35 C34 174.9(8) . . . . ?
B1 C38 C39 C40 174.9(8) . . . . ?
B1 C38 C43 C42 -174.1(7) . . . . ?
B1 C46 C47 C48 -172.9(7) . . . . ?
B1 C46 C51 C50 173.0(7) . . . . ?
B1 C54 C55 C56 174.4(8) . . . . ?
B1 C54 C59 C58 -174.7(8) . . . . ?
C1 C2 C3 Rh1 67.7(19) . . . . ?

_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 1.617
_oxdiff_exptl_absorpt_empirical_full_min 0.715
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.636(5)
2 0.364(5)

