#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:26:56 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179970 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/64/7026467.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7026467
loop_
_publ_author_name
'Sewell, Laura J.'
'Chaplin, Adrian B.'
'Abdalla, Joseph A. B.'
'Weller, Andrew S.'
_publ_section_title
;
 Reversible C-H activation of a P(t)Bu(i)Bu2 ligand to reveal a masked 12
 electron [Rh(PR3)2]+ cation.
;
_journal_issue                   32
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7437
_journal_page_last               7439
_journal_paper_doi               10.1039/c0dt00449a
_journal_volume                  39
_journal_year                    2010
_chemical_formula_moiety         'C24 H56 P2 Rh, C32 H12 B F24'
_chemical_formula_sum            'C56 H68 B F24 P2 Rh'
_chemical_formula_weight         1372.76
_chemical_melting_point          ?
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                103.1981(3)
_cell_angle_beta                 94.4213(4)
_cell_angle_gamma                118.4125(4)
_cell_formula_units_Z            2
_cell_length_a                   12.88050(10)
_cell_length_b                   13.05280(10)
_cell_length_c                   22.3154(2)
_cell_measurement_reflns_used    15663
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      29.131
_cell_measurement_theta_min      5.097
_cell_volume                     3136.25(5)
_computing_cell_refinement       'Denzo/Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction        'Denzo/Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'ORTEP3 (Farrugia, 1997)'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR2004 (Burla et al., 2005)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device       '95mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       CCD
_diffrn_radiation_monochromator  'horizonally mounted graphite crystal'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0193
_diffrn_reflns_av_sigmaI/netI    0.0333
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            26387
_diffrn_reflns_theta_full        27.88
_diffrn_reflns_theta_max         27.88
_diffrn_reflns_theta_min         5.11
_exptl_absorpt_coefficient_mu    0.430
_exptl_absorpt_correction_T_max  1.0
_exptl_absorpt_correction_T_min  0.904
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Denzo/Scalepack (Otwinowski & Minor 1997)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.454
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1400
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.236
_refine_diff_density_min         -0.550
_refine_diff_density_rms         0.078
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1244
_refine_ls_number_reflns         14829
_refine_ls_number_restraints     1704
_refine_ls_restrained_S_all      1.190
_refine_ls_R_factor_all          0.0717
_refine_ls_R_factor_gt           0.0560
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0891P)²+3.6865P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1515
_refine_ls_wR_factor_ref         0.1669
_reflns_number_gt                11746
_reflns_number_total             14829
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt00449a.txt
_cod_data_source_block           153abc10
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

'_symmetry_cell_setting' value
'Triclinic' changed to 'triclinic' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        3136.24(4)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7026467
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 1.0000 1.0000 0.5000 0.03528(11) Uani 1 2 d SD . .
H0A H 1.012(5) 0.994(5) 0.5644(10) 0.042 Uiso 0.50 1 d PD A -1
H0B H 0.8701(12) 0.947(5) 0.484(3) 0.042 Uiso 0.50 1 d PD B -1
P1 P 1.0148(11) 1.1814(14) 0.5398(7) 0.0389(10) Uani 0.50 1 d PDU C -1
C1 C 0.9493(19) 1.224(2) 0.4814(5) 0.058(3) Uani 0.50 1 d PDU C -1
H1A H 0.8600 1.1741 0.4724 0.070 Uiso 0.50 1 calc PR C -1
H1B H 0.9733 1.3111 0.4978 0.070 Uiso 0.50 1 calc PR C -1
C2 C 0.9953(9) 1.2025(8) 0.4210(4) 0.0534(18) Uani 0.50 1 d PDU C -1
H2 H 1.0851 1.2574 0.4307 0.064 Uiso 0.50 1 calc PR C -1
C3 C 0.9653(9) 1.0714(7) 0.3936(4) 0.0573(19) Uani 0.50 1 d PDU C -1
H3A H 1.0068 1.0510 0.4234 0.086 Uiso 0.50 1 calc PR C -1
H3B H 0.9921 1.0625 0.3538 0.086 Uiso 0.50 1 calc PR C -1
H3C H 0.8778 1.0162 0.3859 0.086 Uiso 0.50 1 calc PR C -1
C4 C 0.9389(11) 1.2368(10) 0.3722(5) 0.071(2) Uani 0.50 1 d PDU C -1
H4A H 0.9667 1.2231 0.3331 0.106 Uiso 0.50 1 calc PR C -1
H4B H 0.9631 1.3232 0.3884 0.106 Uiso 0.50 1 calc PR C -1
H4C H 0.8506 1.1862 0.3637 0.106 Uiso 0.50 1 calc PR C -1
C5 C 1.1693(10) 1.3160(12) 0.5633(7) 0.046(3) Uani 0.50 1 d PDU C -1
H5A H 1.1926 1.3457 0.5267 0.055 Uiso 0.50 1 calc PR C -1
H5B H 1.1725 1.3827 0.5967 0.055 Uiso 0.50 1 calc PR C -1
C6 C 1.2576(8) 1.2788(8) 0.5881(4) 0.050(2) Uani 0.50 1 d PDU C -1
H6 H 1.2345 1.2494 0.6253 0.061 Uiso 0.50 1 calc PR C -1
C7 C 1.2602(7) 1.1808(7) 0.5375(4) 0.0522(18) Uani 0.50 1 d PDU C -1
H7A H 1.1863 1.1022 0.5309 0.078 Uiso 0.50 1 calc PR C -1
H7B H 1.3308 1.1746 0.5509 0.078 Uiso 0.50 1 calc PR C -1
H7C H 1.2652 1.2022 0.4981 0.078 Uiso 0.50 1 calc PR C -1
C8 C 1.3860(9) 1.3910(12) 0.6074(7) 0.068(3) Uani 0.50 1 d PDU C -1
H8A H 1.4427 1.3698 0.6249 0.102 Uiso 0.50 1 calc PR C -1
H8B H 1.3876 1.4576 0.6394 0.102 Uiso 0.50 1 calc PR C -1
H8C H 1.4094 1.4173 0.5704 0.102 Uiso 0.50 1 calc PR C -1
C9 C 0.9452(11) 1.2039(10) 0.6092(7) 0.048(3) Uani 0.50 1 d PDU C -1
C10 C 0.8170(12) 1.0932(14) 0.5959(8) 0.065(4) Uani 0.50 1 d PDU C -1
H10A H 0.7802 1.1027 0.6320 0.097 Uiso 0.50 1 calc PR C -1
H10B H 0.8212 1.0184 0.5890 0.097 Uiso 0.50 1 calc PR C -1
H10C H 0.7680 1.0877 0.5582 0.097 Uiso 0.50 1 calc PR C -1
C11 C 1.0256(10) 1.2135(10) 0.6678(5) 0.049(2) Uani 0.50 1 d PDU C -1
H11A H 0.9854 1.2130 0.7034 0.073 Uiso 0.50 1 calc PR C -1
H11B H 1.1036 1.2898 0.6786 0.073 Uiso 0.50 1 calc PR C -1
H11C H 1.0386 1.1440 0.6586 0.073 Uiso 0.50 1 calc PR C -1
C12 C 0.9414(12) 1.3229(12) 0.6189(7) 0.059(4) Uani 0.50 1 d PDU C -1
H12A H 0.8728 1.3080 0.5886 0.088 Uiso 0.50 1 calc PR C -1
H12B H 1.0167 1.3865 0.6125 0.088 Uiso 0.50 1 calc PR C -1
H12C H 0.9322 1.3499 0.6619 0.088 Uiso 0.50 1 calc PR C -1
P2 P 0.9907(11) 0.8120(14) 0.4574(7) 0.0389(10) Uani 0.50 1 d PDU C -1
C13 C 1.0653(17) 0.7795(18) 0.5178(4) 0.048(3) Uani 0.50 1 d PDU C -1
H13A H 1.0279 0.6895 0.5055 0.058 Uiso 0.50 1 calc PR C -1
H13B H 1.1503 0.8125 0.5134 0.058 Uiso 0.50 1 calc PR C -1
C14 C 1.0701(8) 0.8212(8) 0.5887(4) 0.0505(17) Uani 0.50 1 d PDU C -1
H14 H 1.1120 0.9124 0.6027 0.061 Uiso 0.50 1 calc PR C -1
C15 C 0.9442(8) 0.7733(9) 0.6025(5) 0.066(2) Uani 0.50 1 d PDU C -1
H15A H 0.9093 0.8199 0.5903 0.098 Uiso 0.50 1 calc PR C -1
H15B H 0.9494 0.7825 0.6476 0.098 Uiso 0.50 1 calc PR C -1
H15C H 0.8928 0.6868 0.5783 0.098 Uiso 0.50 1 calc PR C -1
C16 C 1.1423(10) 0.7850(10) 0.6271(5) 0.071(3) Uani 0.50 1 d PDU C -1
H16A H 1.1524 0.8225 0.6722 0.107 Uiso 0.50 1 calc PR C -1
H16B H 1.2219 0.8132 0.6165 0.107 Uiso 0.50 1 calc PR C -1
H16C H 1.0992 0.6959 0.6175 0.107 Uiso 0.50 1 calc PR C -1
C17 C 0.8329(10) 0.6860(14) 0.4254(7) 0.052(3) Uani 0.50 1 d PDU C -1
H17A H 0.8293 0.6462 0.3812 0.062 Uiso 0.50 1 calc PR C -1
H17B H 0.8204 0.6259 0.4483 0.062 Uiso 0.50 1 calc PR C -1
C18 C 0.7209(9) 0.6994(10) 0.4239(4) 0.059(3) Uani 0.50 1 d PDU C -1
H18 H 0.7401 0.7722 0.4093 0.071 Uiso 0.50 1 calc PR C -1
C19 C 0.6860(9) 0.7223(10) 0.4858(4) 0.071(2) Uani 0.50 1 d PDU C -1
H19A H 0.6225 0.7429 0.4813 0.106 Uiso 0.50 1 calc PR C -1
H19B H 0.7568 0.7903 0.5174 0.106 Uiso 0.50 1 calc PR C -1
H19C H 0.6559 0.6487 0.4993 0.106 Uiso 0.50 1 calc PR C -1
C20 C 0.6163(10) 0.5898(12) 0.3742(6) 0.066(3) Uani 0.50 1 d PDU C -1
H20A H 0.5857 0.5184 0.3897 0.099 Uiso 0.50 1 calc PR C -1
H20B H 0.6442 0.5730 0.3355 0.099 Uiso 0.50 1 calc PR C -1
H20C H 0.5516 0.6072 0.3655 0.099 Uiso 0.50 1 calc PR C -1
C21 C 1.0740(11) 0.8132(10) 0.3914(7) 0.045(3) Uani 0.50 1 d PDU C -1
C22 C 1.2012(12) 0.9233(15) 0.4137(8) 0.071(4) Uani 0.50 1 d PDU C -1
H22A H 1.2460 0.9231 0.3801 0.106 Uiso 0.50 1 calc PR C -1
H22B H 1.2424 0.9196 0.4512 0.106 Uiso 0.50 1 calc PR C -1
H22C H 1.1972 0.9983 0.4240 0.106 Uiso 0.50 1 calc PR C -1
C23 C 1.0085(11) 0.8209(11) 0.3348(5) 0.055(3) Uani 0.50 1 d PDU C -1
H23A H 0.9990 0.8925 0.3473 0.082 Uiso 0.50 1 calc PR C -1
H23B H 0.9286 0.7468 0.3185 0.082 Uiso 0.50 1 calc PR C -1
H23C H 1.0555 0.8285 0.3018 0.082 Uiso 0.50 1 calc PR C -1
C24 C 1.0813(11) 0.6978(12) 0.3730(6) 0.049(3) Uani 0.50 1 d PDU C -1
H24A H 1.1130 0.6931 0.3345 0.073 Uiso 0.50 1 calc PR C -1
H24B H 1.0005 0.6262 0.3654 0.073 Uiso 0.50 1 calc PR C -1
H24C H 1.1353 0.6995 0.4071 0.073 Uiso 0.50 1 calc PR C -1
Rh2 Rh 0.5000 0.0000 0.0000 0.03973(12) Uani 1 2 d S . .
P11 P 0.6154(8) -0.0377(9) -0.0620(5) 0.0378(7) Uani 0.50 1 d PDU D -2
C101 C 0.7728(11) 0.0796(10) -0.0266(6) 0.072(3) Uani 0.50 1 d PDU D -2
H10D H 0.8062 0.0484 0.0013 0.087 Uiso 0.50 1 calc PR D -2
H10E H 0.8179 0.0900 -0.0608 0.087 Uiso 0.50 1 calc PR D -2
C102 C 0.7993(9) 0.2058(10) 0.0115(5) 0.088(3) Uani 0.50 1 d PDU D -2
H102 H 0.7871 0.2456 -0.0195 0.106 Uiso 0.50 1 calc PR D -2
C103 C 0.7211(8) 0.2086(9) 0.0570(5) 0.066(2) Uani 0.50 1 d PDU D -2
H10F H 0.6363 0.1616 0.0344 0.100 Uiso 0.50 1 calc PR D -2
H10G H 0.7434 0.2934 0.0771 0.100 Uiso 0.50 1 calc PR D -2
H10H H 0.7324 0.1728 0.0892 0.100 Uiso 0.50 1 calc PR D -2
C104 C 0.9323(9) 0.2834(12) 0.0453(7) 0.094(4) Uani 0.50 1 d PDU D -2
H10I H 0.9594 0.3700 0.0522 0.141 Uiso 0.50 1 calc PR D -2
H10J H 0.9807 0.2612 0.0193 0.141 Uiso 0.50 1 calc PR D -2
H10K H 0.9423 0.2689 0.0860 0.141 Uiso 0.50 1 calc PR D -2
C105 C 0.5894(17) -0.0300(13) -0.1422(5) 0.039(2) Uani 0.50 1 d PDU D -2
H10L H 0.6593 -0.0213 -0.1610 0.046 Uiso 0.50 1 calc PR D -2
H10M H 0.5165 -0.1068 -0.1684 0.046 Uiso 0.50 1 calc PR D -2
C106 C 0.5722(8) 0.0786(7) -0.1421(4) 0.0431(16) Uani 0.50 1 d PDU D -2
H106 H 0.6486 0.1546 -0.1169 0.052 Uiso 0.50 1 calc PR D -2
C107 C 0.4715(9) 0.0753(9) -0.1113(5) 0.063(2) Uani 0.50 1 d PDU D -2
H10N H 0.3938 0.0074 -0.1377 0.095 Uiso 0.50 1 calc PR D -2
H10O H 0.4726 0.1524 -0.1063 0.095 Uiso 0.50 1 calc PR D -2
H10P H 0.4823 0.0640 -0.0698 0.095 Uiso 0.50 1 calc PR D -2
C108 C 0.5543(11) 0.0866(11) -0.2084(4) 0.075(3) Uani 0.50 1 d PDU D -2
H10Q H 0.4757 0.0176 -0.2333 0.113 Uiso 0.50 1 calc PR D -2
H10R H 0.6187 0.0839 -0.2281 0.113 Uiso 0.50 1 calc PR D -2
H10S H 0.5568 0.1634 -0.2068 0.113 Uiso 0.50 1 calc PR D -2
C109 C 0.6043(8) -0.1890(10) -0.0739(4) 0.045(2) Uani 0.50 1 d PDU D -2
C110 C 0.6436(9) -0.2006(9) -0.0107(5) 0.060(2) Uani 0.50 1 d PDU D -2
H11D H 0.6454 -0.2766 -0.0177 0.090 Uiso 0.50 1 calc PR D -2
H11E H 0.5861 -0.2018 0.0159 0.090 Uiso 0.50 1 calc PR D -2
H11F H 0.7244 -0.1308 0.0104 0.090 Uiso 0.50 1 calc PR D -2
C111 C 0.4715(10) -0.2910(8) -0.1011(5) 0.071(3) Uani 0.50 1 d PDU D -2
H11G H 0.4424 -0.2838 -0.1409 0.107 Uiso 0.50 1 calc PR D -2
H11H H 0.4221 -0.2834 -0.0711 0.107 Uiso 0.50 1 calc PR D -2
H11I H 0.4655 -0.3708 -0.1086 0.107 Uiso 0.50 1 calc PR D -2
C112 C 0.6777(10) -0.2105(10) -0.1197(5) 0.067(3) Uani 0.50 1 d PDU D -2
H11J H 0.7528 -0.1335 -0.1142 0.101 Uiso 0.50 1 calc PR D -2
H11K H 0.6308 -0.2411 -0.1629 0.101 Uiso 0.50 1 calc PR D -2
H11L H 0.6972 -0.2708 -0.1116 0.101 Uiso 0.50 1 calc PR D -2
P12 P 0.3657(8) 0.0297(9) 0.0602(5) 0.0378(7) Uani 0.50 1 d PDU D -2
C113 C 0.2096(8) -0.0956(9) 0.0402(4) 0.047(2) Uani 0.50 1 d PDU D -2
H11M H 0.2081 -0.1617 0.0555 0.056 Uiso 0.50 1 calc PR D -2
H11N H 0.1625 -0.0663 0.0642 0.056 Uiso 0.50 1 calc PR D -2
C114 C 0.1430(7) -0.1524(6) -0.0298(3) 0.0500(16) Uani 0.50 1 d PDU D -2
H114 H 0.1922 -0.0997 -0.0547 0.060 Uiso 0.50 1 calc PR D -2
C115 C 0.1199(9) -0.2808(8) -0.0570(5) 0.061(2) Uani 0.50 1 d PDU D -2
H11O H 0.1973 -0.2784 -0.0558 0.092 Uiso 0.50 1 calc PR D -2
H11P H 0.0743 -0.3148 -0.1007 0.092 Uiso 0.50 1 calc PR D -2
H11Q H 0.0731 -0.3322 -0.0321 0.092 Uiso 0.50 1 calc PR D -2
C116 C 0.0196(8) -0.1596(10) -0.0353(5) 0.068(2) Uani 0.50 1 d PDU D -2
H11R H -0.0288 -0.2077 -0.0782 0.102 Uiso 0.50 1 calc PR D -2
H11S H 0.0320 -0.0770 -0.0261 0.102 Uiso 0.50 1 calc PR D -2
H11T H -0.0230 -0.1987 -0.0052 0.102 Uiso 0.50 1 calc PR D -2
C117 C 0.414(3) 0.036(2) 0.1411(8) 0.071(4) Uani 0.50 1 d PDU D -2
H11U H 0.4721 0.1237 0.1639 0.085 Uiso 0.50 1 calc PR D -2
H11V H 0.3424 0.0127 0.1599 0.085 Uiso 0.50 1 calc PR D -2
C118 C 0.4725(11) -0.0344(10) 0.1586(5) 0.073(3) Uani 0.50 1 d PDU D -2
H118 H 0.5499 -0.0061 0.1435 0.088 Uiso 0.50 1 calc PR D -2
C119 C 0.3961(13) -0.1688(11) 0.1287(7) 0.104(4) Uani 0.50 1 d PDU D -2
H11W H 0.3202 -0.1994 0.1433 0.156 Uiso 0.50 1 calc PR D -2
H11X H 0.4393 -0.2087 0.1403 0.156 Uiso 0.50 1 calc PR D -2
H11Y H 0.3786 -0.1869 0.0827 0.156 Uiso 0.50 1 calc PR D -2
C120 C 0.5035(13) -0.0061(13) 0.2299(5) 0.090(3) Uani 0.50 1 d PDU D -2
H12D H 0.4293 -0.0315 0.2461 0.135 Uiso 0.50 1 calc PR D -2
H12E H 0.5587 0.0819 0.2492 0.135 Uiso 0.50 1 calc PR D -2
H12F H 0.5424 -0.0505 0.2402 0.135 Uiso 0.50 1 calc PR D -2
C121 C 0.3570(7) 0.1703(9) 0.0658(4) 0.042(2) Uani 0.50 1 d PDU D -2
C122 C 0.3040(9) 0.1632(9) 0.0008(4) 0.057(2) Uani 0.50 1 d PDU D -2
H12G H 0.3049 0.2394 0.0027 0.086 Uiso 0.50 1 calc PR D -2
H12H H 0.2206 0.0945 -0.0134 0.086 Uiso 0.50 1 calc PR D -2
H12I H 0.3523 0.1512 -0.0289 0.086 Uiso 0.50 1 calc PR D -2
C123 C 0.4813(9) 0.2807(9) 0.0901(5) 0.073(3) Uani 0.50 1 d PDU D -2
H12J H 0.4782 0.3536 0.0886 0.109 Uiso 0.50 1 calc PR D -2
H12K H 0.5356 0.2711 0.0639 0.109 Uiso 0.50 1 calc PR D -2
H12L H 0.5114 0.2895 0.1337 0.109 Uiso 0.50 1 calc PR D -2
C124 C 0.2732(9) 0.1781(10) 0.1077(5) 0.059(2) Uani 0.50 1 d PDU D -2
H12M H 0.2994 0.1740 0.1490 0.088 Uiso 0.50 1 calc PR D -2
H12N H 0.1908 0.1098 0.0885 0.088 Uiso 0.50 1 calc PR D -2
H12O H 0.2749 0.2555 0.1127 0.088 Uiso 0.50 1 calc PR D -2
B200 B 0.7671(3) 0.5078(3) 0.75003(14) 0.0254(6) Uani 1 1 d . . .
C201 C 0.6984(3) 0.4070(3) 0.68008(14) 0.0290(6) Uani 1 1 d . . .
C202 C 0.6168(3) 0.2835(3) 0.67223(15) 0.0327(6) Uani 1 1 d . . .
H202 H 0.5985 0.2577 0.7085 0.039 Uiso 1 1 calc R . .
C203 C 0.5617(3) 0.1973(3) 0.61288(16) 0.0397(7) Uani 1 1 d D E .
C204 C 0.5874(4) 0.2294(3) 0.55851(16) 0.0448(8) Uani 1 1 d . . .
H204 H 0.5489 0.1707 0.5180 0.054 Uiso 1 1 calc R . .
C205 C 0.6711(4) 0.3503(3) 0.56510(16) 0.0439(8) Uani 1 1 d D F .
C206 C 0.7239(3) 0.4367(3) 0.62424(15) 0.0361(7) Uani 1 1 d . . .
H206 H 0.7794 0.5191 0.6270 0.043 Uiso 1 1 calc R . .
C207 C 0.4716(4) 0.0673(4) 0.60823(18) 0.0554(10) Uani 1 1 d D . .
F1 F 0.3928(3) 0.0598(3) 0.64467(19) 0.0860(13) Uani 0.911(5) 1 d PDU E 1
F2 F 0.5222(3) 0.0082(3) 0.6258(2) 0.0958(15) Uani 0.911(5) 1 d PDU E 1
F3 F 0.4066(4) 0.0011(3) 0.54985(15) 0.0905(13) Uani 0.911(5) 1 d PDU E 1
F101 F 0.493(2) -0.0126(10) 0.5713(13) 0.086(8) Uani 0.089(5) 1 d PDU E 2
F102 F 0.3593(8) 0.0360(16) 0.5836(14) 0.087(8) Uani 0.089(5) 1 d PDU E 2
F103 F 0.469(2) 0.0450(15) 0.6631(6) 0.074(7) Uani 0.089(5) 1 d PDU E 2
C208 C 0.7039(4) 0.3896(4) 0.50748(18) 0.0650(13) Uani 1 1 d D . .
F4 F 0.6674(8) 0.4695(8) 0.5025(4) 0.084(2) Uani 0.653(19) 1 d PDU F 1
F5 F 0.6427(11) 0.2989(5) 0.4543(2) 0.103(3) Uani 0.653(19) 1 d PDU F 1
F6 F 0.8187(5) 0.4459(10) 0.5087(4) 0.086(2) Uani 0.653(19) 1 d PDU F 1
F104 F 0.7110(18) 0.3031(9) 0.4651(6) 0.084(4) Uani 0.347(19) 1 d PDU F 2
F105 F 0.8165(9) 0.4858(11) 0.5208(5) 0.082(4) Uani 0.347(19) 1 d PDU F 2
F106 F 0.6324(12) 0.4168(18) 0.4812(7) 0.099(5) Uani 0.347(19) 1 d PDU F 2
C209 C 0.8894(3) 0.5010(3) 0.76907(13) 0.0270(5) Uani 1 1 d . . .
C210 C 0.8862(3) 0.4168(3) 0.79946(14) 0.0320(6) Uani 1 1 d . . .
H210 H 0.8131 0.3655 0.8103 0.038 Uiso 1 1 calc R . .
C211 C 0.9870(3) 0.4061(3) 0.81423(14) 0.0374(7) Uani 1 1 d D G .
C212 C 1.0945(3) 0.4771(3) 0.79877(16) 0.0405(8) Uani 1 1 d . . .
H212 H 1.1636 0.4709 0.8097 0.049 Uiso 1 1 calc R . .
C213 C 1.0988(3) 0.5577(3) 0.76686(16) 0.0389(7) Uani 1 1 d D H .
C214 C 0.9983(3) 0.5693(3) 0.75205(15) 0.0319(6) Uani 1 1 d . . .
H214 H 1.0042 0.6252 0.7298 0.038 Uiso 1 1 calc R . .
C215 C 0.9739(3) 0.3136(4) 0.84827(17) 0.0537(10) Uani 1 1 d D . .
F7 F 1.0819(7) 0.3285(13) 0.8696(6) 0.075(3) Uani 0.54(3) 1 d PDU G 1
F8 F 0.9025(14) 0.1998(5) 0.8131(5) 0.076(3) Uani 0.54(3) 1 d PDU G 1
F9 F 0.9289(14) 0.3297(11) 0.8997(4) 0.058(2) Uani 0.54(3) 1 d PDU G 1
F107 F 0.8746(10) 0.2039(6) 0.8205(6) 0.056(3) Uani 0.46(3) 1 d PDU G 2
F108 F 0.9649(17) 0.3508(11) 0.9076(4) 0.067(3) Uani 0.46(3) 1 d PDU G 2
F109 F 1.0659(10) 0.2945(15) 0.8507(9) 0.071(3) Uani 0.46(3) 1 d PDU G 2
C216 C 1.2127(3) 0.6345(4) 0.7477(2) 0.0566(10) Uani 1 1 d D . .
F10 F 1.2455(6) 0.7525(4) 0.7643(4) 0.089(2) Uani 0.691(15) 1 d PDU H 1
F11 F 1.3061(4) 0.6303(9) 0.7714(5) 0.102(3) Uani 0.691(15) 1 d PDU H 1
F12 F 1.1988(5) 0.6042(7) 0.6852(2) 0.084(2) Uani 0.691(15) 1 d PDU H 1
F110 F 1.2792(10) 0.5811(11) 0.7388(8) 0.078(4) Uani 0.309(15) 1 d PDU H 2
F111 F 1.1971(9) 0.6593(18) 0.6953(6) 0.084(4) Uani 0.309(15) 1 d PDU H 2
F112 F 1.2848(11) 0.7411(10) 0.7911(7) 0.103(5) Uani 0.309(15) 1 d PDU H 2
C217 C 0.6815(3) 0.4755(2) 0.80168(14) 0.0263(5) Uani 1 1 d . . .
C218 C 0.5561(3) 0.4208(3) 0.78454(16) 0.0341(6) Uani 1 1 d . . .
H218 H 0.5197 0.4023 0.7419 0.041 Uiso 1 1 calc R . .
C219 C 0.4825(3) 0.3925(3) 0.82782(18) 0.0413(8) Uani 1 1 d D I .
C220 C 0.5304(3) 0.4186(3) 0.89055(19) 0.0429(8) Uani 1 1 d . . .
H220 H 0.4798 0.3975 0.9198 0.051 Uiso 1 1 calc R . .
C221 C 0.6554(3) 0.4769(3) 0.90933(16) 0.0399(7) Uani 1 1 d D J .
C222 C 0.7287(3) 0.5050(3) 0.86585(15) 0.0318(6) Uani 1 1 d . . .
H222 H 0.8139 0.5456 0.8803 0.038 Uiso 1 1 calc R . .
C223 C 0.3482(4) 0.3306(4) 0.8046(2) 0.0653(13) Uani 1 1 d D . .
F13 F 0.3072(5) 0.2412(11) 0.7506(4) 0.077(2) Uani 0.65(3) 1 d PDU I 1
F14 F 0.3151(6) 0.4083(8) 0.7939(9) 0.108(3) Uani 0.65(3) 1 d PDU I 1
F15 F 0.2883(5) 0.2818(13) 0.8467(4) 0.093(3) Uani 0.65(3) 1 d PDU I 1
F113 F 0.2879(9) 0.325(2) 0.8503(5) 0.097(5) Uani 0.35(3) 1 d PDU I 2
F114 F 0.3031(10) 0.2152(10) 0.7681(11) 0.080(4) Uani 0.35(3) 1 d PDU I 2
F115 F 0.3179(9) 0.3851(18) 0.7682(11) 0.090(5) Uani 0.35(3) 1 d PDU I 2
C224 C 0.7110(4) 0.5053(4) 0.9764(2) 0.0603(12) Uani 1 1 d D . .
F16 F 0.6346(6) 0.4820(9) 1.0131(3) 0.104(3) Uani 0.573(11) 1 d PDU J 1
F17 F 0.7819(9) 0.4646(9) 0.9865(2) 0.091(3) Uani 0.573(11) 1 d PDU J 1
F18 F 0.7891(6) 0.6295(5) 1.0024(3) 0.086(2) Uani 0.573(11) 1 d PDU J 1
F116 F 0.8238(6) 0.5799(12) 0.9937(3) 0.118(4) Uani 0.427(11) 1 d PDU J 2
F117 F 0.6555(9) 0.5334(10) 1.0172(3) 0.078(3) Uani 0.427(11) 1 d PDU J 2
F118 F 0.6962(12) 0.3970(8) 0.9838(4) 0.098(3) Uani 0.427(11) 1 d PDU J 2
C225 C 0.7985(3) 0.6449(3) 0.74895(14) 0.0292(6) Uani 1 1 d . . .
C226 C 0.7165(3) 0.6623(3) 0.71398(16) 0.0362(7) Uani 1 1 d . . .
H226 H 0.6438 0.5926 0.6882 0.043 Uiso 1 1 calc R . .
C227 C 0.7372(4) 0.7777(3) 0.71552(18) 0.0465(9) Uani 1 1 d D K .
C228 C 0.8413(4) 0.8805(4) 0.7514(2) 0.0569(11) Uani 1 1 d . K .
H228 H 0.8564 0.9594 0.7517 0.068 Uiso 1 1 calc R . .
C229 C 0.9242(4) 0.8672(3) 0.7873(2) 0.0579(11) Uani 1 1 d D . .
C230 C 0.9025(3) 0.7517(3) 0.78615(19) 0.0425(8) Uani 1 1 d . L .
H230 H 0.9605 0.7452 0.8115 0.051 Uiso 1 1 calc R . .
C231 C 0.6412(5) 0.7868(4) 0.6772(2) 0.0717(15) Uani 1 1 d D . .
F19 F 0.5458(6) 0.7575(9) 0.7039(4) 0.096(3) Uani 0.50 1 d PDU K 1
F20 F 0.5965(8) 0.7071(7) 0.6198(3) 0.092(3) Uani 0.50 1 d PDU K 1
F21 F 0.6769(10) 0.8945(6) 0.6716(5) 0.125(4) Uani 0.50 1 d PDU K 1
F119 F 0.6507(9) 0.7664(9) 0.6174(3) 0.109(3) Uani 0.50 1 d PDU K 2
F120 F 0.6629(8) 0.9011(6) 0.6956(4) 0.100(3) Uani 0.50 1 d PDU K 2
F121 F 0.5317(5) 0.7149(8) 0.6802(5) 0.093(3) Uani 0.50 1 d PDU K 2
C232 C 1.0381(6) 0.9839(6) 0.8206(3) 0.0791(19) Uani 0.658(8) 1 d PDU L 1
F22 F 1.1252(5) 0.9659(6) 0.8427(4) 0.101(3) Uani 0.658(8) 1 d PDU L 1
F23 F 1.0211(5) 1.0445(6) 0.8724(3) 0.102(2) Uani 0.658(8) 1 d PDU L 1
F24 F 1.0771(5) 1.0610(5) 0.7868(3) 0.119(3) Uani 0.658(8) 1 d PDU L 1
C332 C 1.0371(9) 0.9674(8) 0.8361(5) 0.0791(19) Uani 0.342(8) 1 d PDU L 2
F122 F 1.0575(10) 1.0785(6) 0.8380(7) 0.100(4) Uani 0.342(8) 1 d PDU L 2
F123 F 1.1349(8) 0.9650(13) 0.8215(7) 0.111(5) Uani 0.342(8) 1 d PDU L 2
F124 F 1.0381(10) 0.9651(10) 0.8954(4) 0.121(4) Uani 0.342(8) 1 d PDU L 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
H3A Rh1 P1 80.5 . .
H7A Rh1 P1 82.8 . .
H3A Rh1 P1 99.5 . 2_776
H7A Rh1 P1 97.2 . 2_776
P1 Rh1 P1 179.998(3) . 2_776
H3A Rh1 P2 81.3 . 2_776
H7A Rh1 P2 84.4 . 2_776
P1 Rh1 P2 1.9(8) . 2_776
P1 Rh1 P2 178.1(8) 2_776 2_776
H3A Rh1 P2 98.7 . .
H7A Rh1 P2 95.6 . .
P1 Rh1 P2 178.1(8) . .
P1 Rh1 P2 1.9(8) 2_776 .
P2 Rh1 P2 179.999(3) 2_776 .
H3A Rh1 H0A 166.1 . .
H7A Rh1 H0A 79.5 . .
P1 Rh1 H0A 87(2) . .
P1 Rh1 H0A 93(2) 2_776 .
P2 Rh1 H0A 87(2) 2_776 .
P2 Rh1 H0A 93(2) . .
H3A Rh1 H0B 87.9 . .
H7A Rh1 H0B 170.4 . .
P1 Rh1 H0B 88(2) . .
P1 Rh1 H0B 92(2) 2_776 .
P2 Rh1 H0B 86(2) 2_776 .
P2 Rh1 H0B 94(2) . .
H0A Rh1 H0B 98.3(10) . .
C1 P1 C5 98.9(10) . .
C1 P1 C9 104.2(9) . .
C5 P1 C9 104.0(9) . .
C1 P1 Rh1 112.6(9) . .
C5 P1 Rh1 116.1(9) . .
C9 P1 Rh1 118.7(6) . .
C2 C1 P1 108.6(10) . .
C2 C1 H1A 110.0 . .
P1 C1 H1A 110.0 . .
C2 C1 H1B 110.0 . .
P1 C1 H1B 110.0 . .
H1A C1 H1B 108.4 . .
C3 C2 C4 109.1(7) . .
C3 C2 C1 113.5(10) . .
C4 C2 C1 108.2(8) . .
C3 C2 H2 108.6 . .
C4 C2 H2 108.6 . .
C1 C2 H2 108.6 . .
C6 C5 P1 108.8(9) . .
C6 C5 H5A 109.9 . .
P1 C5 H5A 109.9 . .
C6 C5 H5B 109.9 . .
P1 C5 H5B 109.9 . .
H5A C5 H5B 108.3 . .
C7 C6 C8 106.9(8) . .
C7 C6 C5 111.8(8) . .
C8 C6 C5 108.4(8) . .
C7 C6 H6 109.9 . .
C8 C6 H6 109.9 . .
C5 C6 H6 109.9 . .
C10 C9 C12 110.7(8) . .
C10 C9 C11 110.7(9) . .
C12 C9 C11 110.0(8) . .
C10 C9 P1 108.5(8) . .
C12 C9 P1 109.3(9) . .
C11 C9 P1 107.6(8) . .
C13 P2 C17 110.3(10) . .
C13 P2 C21 105.1(8) . .
C17 P2 C21 107.1(9) . .
C13 P2 Rh1 110.1(9) . .
C17 P2 Rh1 111.2(9) . .
C21 P2 Rh1 112.9(6) . .
C14 C13 P2 124.2(10) . .
C14 C13 H13A 106.3 . .
P2 C13 H13A 106.3 . .
C14 C13 H13B 106.3 . .
P2 C13 H13B 106.3 . .
H13A C13 H13B 106.4 . .
C16 C14 C15 110.2(7) . .
C16 C14 C13 112.0(7) . .
C15 C14 C13 111.8(9) . .
C16 C14 H14 107.5 . .
C15 C14 H14 107.5 . .
C13 C14 H14 107.5 . .
C18 C17 P2 125.4(11) . .
C18 C17 H17A 106.0 . .
P2 C17 H17A 106.0 . .
C18 C17 H17B 106.0 . .
P2 C17 H17B 106.0 . .
H17A C17 H17B 106.3 . .
C19 C18 C20 111.6(8) . .
C19 C18 C17 115.8(9) . .
C20 C18 C17 109.2(8) . .
C19 C18 H18 106.5 . .
C20 C18 H18 106.5 . .
C17 C18 H18 106.5 . .
C23 C21 C22 109.6(9) . .
C23 C21 C24 109.4(9) . .
C22 C21 C24 109.0(9) . .
C23 C21 P2 109.6(8) . .
C22 C21 P2 108.9(9) . .
C24 C21 P2 110.2(9) . .
H10F Rh2 H10P 82.0 . .
H10F Rh2 P11 86.3 . .
H10P Rh2 P11 76.9 . .
H10F Rh2 P11 93.7 . 2_655
H10P Rh2 P11 103.1 . 2_655
P11 Rh2 P11 179.998(1) . 2_655
H10F Rh2 P12 97.1 . .
H10P Rh2 P12 101.6 . .
P11 Rh2 P12 176.1(4) . .
P11 Rh2 P12 3.9(4) 2_655 .
H10F Rh2 P12 82.9 . 2_655
H10P Rh2 P12 78.4 . 2_655
P11 Rh2 P12 3.9(4) . 2_655
P11 Rh2 P12 176.1(4) 2_655 2_655
P12 Rh2 P12 179.998(1) . 2_655
C101 P11 C105 105.4(10) . .
C101 P11 C109 107.3(7) . .
C105 P11 C109 103.8(6) . .
C101 P11 Rh2 107.8(6) . .
C105 P11 Rh2 115.7(7) . .
C109 P11 Rh2 116.1(5) . .
C102 C101 P11 117.8(9) . .
C102 C101 H10D 107.9 . .
P11 C101 H10D 107.9 . .
C102 C101 H10E 107.9 . .
P11 C101 H10E 107.9 . .
H10D C101 H10E 107.2 . .
C103 C102 C104 110.2(8) . .
C103 C102 C101 116.5(9) . .
C104 C102 C101 109.4(9) . .
C103 C102 H102 106.7 . .
C104 C102 H102 106.7 . .
C101 C102 H102 106.7 . .
C102 C103 H10F 109.5 . .
C102 C103 H10G 109.5 . .
H10F C103 H10G 109.5 . .
C102 C103 H10H 109.5 . .
H10F C103 H10H 109.5 . .
H10G C103 H10H 109.5 . .
C102 C104 H10I 109.5 . .
C102 C104 H10J 109.5 . .
H10I C104 H10J 109.5 . .
C102 C104 H10K 109.5 . .
H10I C104 H10K 109.5 . .
H10J C104 H10K 109.5 . .
C106 C105 P11 110.7(7) . .
C106 C105 H10L 109.5 . .
P11 C105 H10L 109.5 . .
C106 C105 H10M 109.5 . .
P11 C105 H10M 109.5 . .
H10L C105 H10M 108.1 . .
C107 C106 C108 111.4(7) . .
C107 C106 C105 112.7(8) . .
C108 C106 C105 110.5(7) . .
C107 C106 H106 107.3 . .
C108 C106 H106 107.3 . .
C105 C106 H106 107.3 . .
C106 C107 H10N 109.5 . .
C106 C107 H10O 109.5 . .
H10N C107 H10O 109.5 . .
C106 C107 H10P 109.5 . .
H10N C107 H10P 109.5 . .
H10O C107 H10P 109.5 . .
C106 C108 H10Q 109.5 . .
C106 C108 H10R 109.5 . .
H10Q C108 H10R 109.5 . .
C106 C108 H10S 109.5 . .
H10Q C108 H10S 109.5 . .
H10R C108 H10S 109.5 . .
C112 C109 C110 110.1(7) . .
C112 C109 C111 107.3(7) . .
C110 C109 C111 107.5(7) . .
C112 C109 P11 112.6(7) . .
C110 C109 P11 110.0(6) . .
C111 C109 P11 109.1(6) . .
C109 C110 H11D 109.5 . .
C109 C110 H11E 109.5 . .
H11D C110 H11E 109.5 . .
C109 C110 H11F 109.5 . .
H11D C110 H11F 109.5 . .
H11E C110 H11F 109.5 . .
C109 C111 H11G 109.5 . .
C109 C111 H11H 109.5 . .
H11G C111 H11H 109.5 . .
C109 C111 H11I 109.5 . .
H11G C111 H11I 109.5 . .
H11H C111 H11I 109.5 . .
C109 C112 H11J 109.5 . .
C109 C112 H11K 109.5 . .
H11J C112 H11K 109.5 . .
C109 C112 H11L 109.5 . .
H11J C112 H11L 109.5 . .
H11K C112 H11L 109.5 . .
C113 P12 C117 101.3(11) . .
C113 P12 C121 105.6(7) . .
C117 P12 C121 106.6(7) . .
C113 P12 Rh2 116.7(6) . .
C117 P12 Rh2 107.5(9) . .
C121 P12 Rh2 117.5(5) . .
C114 C113 P12 118.2(7) . .
C114 C113 H11M 107.8 . .
P12 C113 H11M 107.8 . .
C114 C113 H11N 107.8 . .
P12 C113 H11N 107.8 . .
H11M C113 H11N 107.1 . .
C115 C114 C116 107.8(7) . .
C115 C114 C113 112.1(7) . .
C116 C114 C113 109.0(7) . .
C115 C114 H114 109.3 . .
C116 C114 H114 109.3 . .
C113 C114 H114 109.3 . .
C114 C115 H11O 109.5 . .
C114 C115 H11P 109.5 . .
H11O C115 H11P 109.5 . .
C114 C115 H11Q 109.5 . .
H11O C115 H11Q 109.5 . .
H11P C115 H11Q 109.5 . .
C114 C116 H11R 109.5 . .
C114 C116 H11S 109.5 . .
H11R C116 H11S 109.5 . .
C114 C116 H11T 109.5 . .
H11R C116 H11T 109.5 . .
H11S C116 H11T 109.5 . .
C118 C117 P12 124.5(11) . .
C118 C117 H11U 106.2 . .
P12 C117 H11U 106.2 . .
C118 C117 H11V 106.2 . .
P12 C117 H11V 106.2 . .
H11U C117 H11V 106.4 . .
C119 C118 C120 109.6(9) . .
C119 C118 C117 113.3(11) . .
C120 C118 C117 110.6(9) . .
C119 C118 H118 107.7 . .
C120 C118 H118 107.7 . .
C117 C118 H118 107.7 . .
C118 C119 H11W 109.5 . .
C118 C119 H11X 109.5 . .
H11W C119 H11X 109.5 . .
C118 C119 H11Y 109.5 . .
H11W C119 H11Y 109.5 . .
H11X C119 H11Y 109.5 . .
C118 C120 H12D 109.5 . .
C118 C120 H12E 109.5 . .
H12D C120 H12E 109.5 . .
C118 C120 H12F 109.5 . .
H12D C120 H12F 109.5 . .
H12E C120 H12F 109.5 . .
C123 C121 C124 110.9(7) . .
C123 C121 C122 110.0(7) . .
C124 C121 C122 106.8(7) . .
C123 C121 P12 109.5(6) . .
C124 C121 P12 110.7(6) . .
C122 C121 P12 109.0(6) . .
C121 C122 H12G 109.5 . .
C121 C122 H12H 109.5 . .
H12G C122 H12H 109.5 . .
C121 C122 H12I 109.5 . .
H12G C122 H12I 109.5 . .
H12H C122 H12I 109.5 . .
C121 C123 H12J 109.5 . .
C121 C123 H12K 109.5 . .
H12J C123 H12K 109.5 . .
C121 C123 H12L 109.5 . .
H12J C123 H12L 109.5 . .
H12K C123 H12L 109.5 . .
C121 C124 H12M 109.5 . .
C121 C124 H12N 109.5 . .
H12M C124 H12N 109.5 . .
C121 C124 H12O 109.5 . .
H12M C124 H12O 109.5 . .
H12N C124 H12O 109.5 . .
C201 B200 C217 111.7(2) . .
C201 B200 C225 111.5(2) . .
C217 B200 C225 105.4(2) . .
C201 B200 C209 104.6(2) . .
C217 B200 C209 111.2(2) . .
C225 B200 C209 112.6(2) . .
C202 C201 C206 115.4(3) . .
C202 C201 B200 122.1(3) . .
C206 C201 B200 122.3(3) . .
C203 C202 C201 122.0(3) . .
C203 C202 H202 119.0 . .
C201 C202 H202 119.0 . .
C204 C203 C202 121.3(3) . .
C204 C203 C207 119.8(3) . .
C202 C203 C207 118.9(3) . .
C203 C204 C205 117.8(3) . .
C203 C204 H204 121.1 . .
C205 C204 H204 121.1 . .
C204 C205 C206 120.8(3) . .
C204 C205 C208 119.9(3) . .
C206 C205 C208 119.2(3) . .
C205 C206 C201 122.6(3) . .
C205 C206 H206 118.7 . .
C201 C206 H206 118.7 . .
F103 C207 F2 57.5(13) . .
F103 C207 F101 106.1(7) . .
F2 C207 F101 52.4(13) . .
F103 C207 F1 51.2(13) . .
F2 C207 F1 105.3(4) . .
F101 C207 F1 135.0(8) . .
F103 C207 F3 133.6(8) . .
F2 C207 F3 106.1(4) . .
F101 C207 F3 57.8(13) . .
F1 C207 F3 106.4(3) . .
F103 C207 F102 106.3(7) . .
F2 C207 F102 134.5(8) . .
F101 C207 F102 105.7(7) . .
F1 C207 F102 59.2(13) . .
F3 C207 F102 51.2(13) . .
F103 C207 C203 113.6(7) . .
F2 C207 C203 113.3(3) . .
F101 C207 C203 112.4(7) . .
F1 C207 C203 112.5(3) . .
F3 C207 C203 112.7(4) . .
F102 C207 C203 112.1(7) . .
F106 C208 F6 122.0(8) . .
F106 C208 F5 75.2(7) . .
F6 C208 F5 111.0(5) . .
F106 C208 F105 107.8(6) . .
F6 C208 F105 23.7(7) . .
F5 C208 F105 129.2(6) . .
F106 C208 F104 109.6(6) . .
F6 C208 F104 79.6(6) . .
F5 C208 F104 37.9(6) . .
F105 C208 F104 102.6(6) . .
F106 C208 F4 28.5(7) . .
F6 C208 F4 105.7(5) . .
F5 C208 F4 103.0(4) . .
F105 C208 F4 85.5(7) . .
F104 C208 F4 133.5(6) . .
F106 C208 C205 114.5(6) . .
F6 C208 C205 114.7(4) . .
F5 C208 C205 112.6(4) . .
F105 C208 C205 111.4(5) . .
F104 C208 C205 110.2(5) . .
F4 C208 C205 108.9(4) . .
C214 C209 C210 115.7(3) . .
C214 C209 B200 123.4(3) . .
C210 C209 B200 120.7(3) . .
C211 C210 C209 122.0(3) . .
C211 C210 H210 119.0 . .
C209 C210 H210 119.0 . .
C212 C211 C210 121.2(3) . .
C212 C211 C215 121.3(3) . .
C210 C211 C215 117.5(3) . .
C211 C212 C213 117.9(3) . .
C211 C212 H212 121.1 . .
C213 C212 H212 121.1 . .
C212 C213 C214 121.3(3) . .
C212 C213 C216 119.8(3) . .
C214 C213 C216 118.9(3) . .
C213 C214 C209 121.8(3) . .
C213 C214 H214 119.1 . .
C209 C214 H214 119.1 . .
F8 C215 F109 89.5(7) . .
F8 C215 F108 120.8(8) . .
F109 C215 F108 107.3(5) . .
F8 C215 F7 108.5(5) . .
F109 C215 F7 20.8(7) . .
F108 C215 F7 89.9(7) . .
F8 C215 F107 18.5(7) . .
F109 C215 F107 106.1(6) . .
F108 C215 F107 107.0(6) . .
F7 C215 F107 123.4(7) . .
F8 C215 F9 107.3(5) . .
F109 C215 F9 120.6(7) . .
F108 C215 F9 17.5(8) . .
F7 C215 F9 105.5(5) . .
F107 C215 F9 91.5(8) . .
F8 C215 C211 113.4(5) . .
F109 C215 C211 113.2(5) . .
F108 C215 C211 110.7(5) . .
F7 C215 C211 110.9(5) . .
F107 C215 C211 112.2(5) . .
F9 C215 C211 110.9(4) . .
F11 C216 F111 126.0(6) . .
F11 C216 F112 73.4(7) . .
F111 C216 F112 106.0(6) . .
F11 C216 F12 108.1(5) . .
F111 C216 F12 31.4(7) . .
F112 C216 F12 129.8(7) . .
F11 C216 F10 106.1(4) . .
F111 C216 F10 73.6(8) . .
F112 C216 F10 36.7(7) . .
F12 C216 F10 103.5(4) . .
F11 C216 F110 34.0(5) . .
F111 C216 F110 105.3(6) . .
F112 C216 F110 105.1(6) . .
F12 C216 F110 78.7(6) . .
F10 C216 F110 130.6(6) . .
F11 C216 C213 114.3(4) . .
F111 C216 C213 114.9(5) . .
F112 C216 C213 112.7(5) . .
F12 C216 C213 111.5(4) . .
F10 C216 C213 112.5(4) . .
F110 C216 C213 112.0(5) . .
C218 C217 C222 115.4(3) . .
C218 C217 B200 121.7(3) . .
C222 C217 B200 122.8(3) . .
C219 C218 C217 122.2(3) . .
C219 C218 H218 118.9 . .
C217 C218 H218 118.9 . .
C220 C219 C218 121.5(3) . .
C220 C219 C223 120.1(3) . .
C218 C219 C223 118.4(3) . .
C219 C220 C221 117.5(3) . .
C219 C220 H220 121.3 . .
C221 C220 H220 121.3 . .
C220 C221 C222 120.9(3) . .
C220 C221 C224 119.3(3) . .
C222 C221 C224 119.8(3) . .
C221 C222 C217 122.5(3) . .
C221 C222 H222 118.8 . .
C217 C222 H222 118.8 . .
F113 C223 F13 123.2(8) . .
F113 C223 F14 84.9(8) . .
F13 C223 F14 106.0(5) . .
F113 C223 F115 107.1(6) . .
F13 C223 F115 82.7(8) . .
F14 C223 F115 25.8(7) . .
F113 C223 F15 24.1(9) . .
F13 C223 F15 107.2(5) . .
F14 C223 F15 107.3(5) . .
F115 C223 F15 126.2(7) . .
F113 C223 F114 106.8(6) . .
F13 C223 F114 24.3(8) . .
F14 C223 F114 125.6(8) . .
F115 C223 F114 105.2(6) . .
F15 C223 F114 86.5(8) . .
F113 C223 C219 113.8(6) . .
F13 C223 C219 112.9(4) . .
F14 C223 C219 111.7(4) . .
F115 C223 C219 112.4(5) . .
F15 C223 C219 111.4(5) . .
F114 C223 C219 111.0(6) . .
F116 C224 F17 61.1(6) . .
F116 C224 F117 110.3(6) . .
F17 C224 F117 124.5(6) . .
F116 C224 F16 125.7(6) . .
F17 C224 F16 110.9(5) . .
F117 C224 F16 25.5(6) . .
F116 C224 F18 41.4(6) . .
F17 C224 F18 100.8(5) . .
F117 C224 F18 78.5(6) . .
F16 C224 F18 102.4(5) . .
F116 C224 F118 104.8(6) . .
F17 C224 F118 44.7(4) . .
F117 C224 F118 102.2(5) . .
F16 C224 F118 78.4(6) . .
F18 C224 F118 139.0(5) . .
F116 C224 C221 116.3(4) . .
F17 C224 C221 116.7(4) . .
F117 C224 C221 115.1(5) . .
F16 C224 C221 114.1(5) . .
F18 C224 C221 110.1(4) . .
F118 C224 C221 106.5(4) . .
C230 C225 C226 115.3(3) . .
C230 C225 B200 123.1(3) . .
C226 C225 B200 121.4(3) . .
C227 C226 C225 122.6(3) . .
C227 C226 H226 118.7 . .
C225 C226 H226 118.7 . .
C228 C227 C226 120.6(4) . .
C228 C227 C231 120.9(3) . .
C226 C227 C231 118.5(4) . .
C227 C228 C229 118.5(3) . .
C227 C228 H228 120.7 . .
C229 C228 H228 120.7 . .
C228 C229 C230 120.6(4) . .
C228 C229 C232 114.1(4) . .
C230 C229 C232 125.0(4) . .
C228 C229 C332 127.4(5) . .
C230 C229 C332 111.7(5) . .
C232 C229 C332 17.0(5) . .
C229 C230 C225 122.3(4) . .
C229 C230 H230 118.9 . .
C225 C230 H230 118.9 . .
F121 C231 F21 122.3(8) . .
F121 C231 F119 109.2(6) . .
F21 C231 F119 80.1(6) . .
F121 C231 F20 78.0(6) . .
F21 C231 F20 108.1(6) . .
F119 C231 F20 33.9(5) . .
F121 C231 F120 108.0(6) . .
F21 C231 F120 25.4(7) . .
F119 C231 F120 105.0(5) . .
F20 C231 F120 128.9(6) . .
F121 C231 F19 27.0(6) . .
F21 C231 F19 107.0(6) . .
F119 C231 F19 132.1(7) . .
F20 C231 F19 104.2(6) . .
F120 C231 F19 86.3(7) . .
F121 C231 C227 115.3(5) . .
F21 C231 C227 114.1(6) . .
F119 C231 C227 109.2(5) . .
F20 C231 C227 112.7(4) . .
F120 C231 C227 109.7(5) . .
F19 C231 C227 110.2(5) . .
F24 C232 F22 111.0(6) . .
F24 C232 F23 104.9(6) . .
F22 C232 F23 103.8(6) . .
F24 C232 C229 113.7(5) . .
F22 C232 C229 112.3(5) . .
F23 C232 C229 110.4(5) . .
F124 C332 F122 104.8(7) . .
F124 C332 F123 106.9(8) . .
F122 C332 F123 105.7(8) . .
F124 C332 C229 116.3(7) . .
F122 C332 C229 112.0(7) . .
F123 C332 C229 110.4(7) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh1 H3A 1.9645 .
Rh1 H7A 2.0715 .
Rh1 P1 2.240(18) .
Rh1 P1 2.240(18) 2_776
Rh1 P2 2.361(18) 2_776
Rh1 P2 2.361(18) .
Rh1 H0A 1.457(11) .
Rh1 H0B 1.448(11) .
P1 C1 1.823(8) .
P1 C5 1.848(8) .
P1 C9 1.883(8) .
C1 C2 1.534(8) .
C1 H1A 0.9900 .
C1 H1B 0.9900 .
C2 C3 1.519(8) .
C2 C4 1.525(8) .
C2 H2 1.0000 .
C3 H3A 0.9800 .
C3 H3B 0.9800 .
C3 H3C 0.9800 .
C4 H4A 0.9800 .
C4 H4B 0.9800 .
C4 H4C 0.9800 .
C5 C6 1.544(8) .
C5 H5A 0.9900 .
C5 H5B 0.9900 .
C6 C7 1.516(8) .
C6 C8 1.537(9) .
C6 H6 1.0000 .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 C10 1.536(13) .
C9 C12 1.545(13) .
C9 C11 1.545(13) .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
P2 C13 1.837(7) .
P2 C17 1.846(7) .
P2 C21 1.886(8) .
C13 C14 1.538(8) .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
C14 C16 1.517(8) .
C14 C15 1.521(8) .
C14 H14 1.0000 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 C18 1.533(8) .
C17 H17A 0.9900 .
C17 H17B 0.9900 .
C18 C19 1.494(9) .
C18 C20 1.517(8) .
C18 H18 1.0000 .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 C23 1.514(13) .
C21 C22 1.518(13) .
C21 C24 1.519(13) .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
Rh2 H10F 1.9101 .
Rh2 H10P 1.9738 .
Rh2 P11 2.251(12) .
Rh2 P11 2.251(12) 2_655
Rh2 P12 2.389(12) .
Rh2 P12 2.389(12) 2_655
P11 C101 1.824(9) .
P11 C105 1.829(7) .
P11 C109 1.866(7) .
C101 C102 1.528(9) .
C101 H10D 0.9900 .
C101 H10E 0.9900 .
C102 C103 1.489(9) .
C102 C104 1.527(9) .
C102 H102 1.0000 .
C103 H10F 0.9800 .
C103 H10G 0.9800 .
C103 H10H 0.9800 .
C104 H10I 0.9800 .
C104 H10J 0.9800 .
C104 H10K 0.9800 .
C105 C106 1.535(7) .
C105 H10L 0.9900 .
C105 H10M 0.9900 .
C106 C107 1.501(8) .
C106 C108 1.516(8) .
C106 H106 1.0000 .
C107 H10N 0.9800 .
C107 H10O 0.9800 .
C107 H10P 0.9800 .
C108 H10Q 0.9800 .
C108 H10R 0.9800 .
C108 H10S 0.9800 .
C109 C112 1.513(10) .
C109 C110 1.525(10) .
C109 C111 1.540(10) .
C110 H11D 0.9800 .
C110 H11E 0.9800 .
C110 H11F 0.9800 .
C111 H11G 0.9800 .
C111 H11H 0.9800 .
C111 H11I 0.9800 .
C112 H11J 0.9800 .
C112 H11K 0.9800 .
C112 H11L 0.9800 .
P12 C113 1.821(8) .
P12 C117 1.832(8) .
P12 C121 1.867(7) .
C113 C114 1.543(7) .
C113 H11M 0.9900 .
C113 H11N 0.9900 .
C114 C115 1.516(8) .
C114 C116 1.541(8) .
C114 H114 1.0000 .
C115 H11O 0.9800 .
C115 H11P 0.9800 .
C115 H11Q 0.9800 .
C116 H11R 0.9800 .
C116 H11S 0.9800 .
C116 H11T 0.9800 .
C117 C118 1.532(8) .
C117 H11U 0.9900 .
C117 H11V 0.9900 .
C118 C119 1.488(9) .
C118 C120 1.524(9) .
C118 H118 1.0000 .
C119 H11W 0.9800 .
C119 H11X 0.9800 .
C119 H11Y 0.9800 .
C120 H12D 0.9800 .
C120 H12E 0.9800 .
C120 H12F 0.9800 .
C121 C123 1.499(9) .
C121 C124 1.505(9) .
C121 C122 1.519(10) .
C122 H12G 0.9800 .
C122 H12H 0.9800 .
C122 H12I 0.9800 .
C123 H12J 0.9800 .
C123 H12K 0.9800 .
C123 H12L 0.9800 .
C124 H12M 0.9800 .
C124 H12N 0.9800 .
C124 H12O 0.9800 .
B200 C201 1.640(4) .
B200 C217 1.642(4) .
B200 C225 1.643(4) .
B200 C209 1.647(4) .
C201 C202 1.402(4) .
C201 C206 1.405(4) .
C202 C203 1.392(4) .
C202 H202 0.9500 .
C203 C204 1.386(5) .
C203 C207 1.505(5) .
C204 C205 1.387(5) .
C204 H204 0.9500 .
C205 C206 1.389(5) .
C205 C208 1.508(6) .
C206 H206 0.9500 .
C207 F103 1.320(8) .
C207 F2 1.324(5) .
C207 F101 1.329(8) .
C207 F1 1.330(5) .
C207 F3 1.332(4) .
C207 F102 1.332(8) .
C208 F106 1.281(7) .
C208 F6 1.295(6) .
C208 F5 1.326(5) .
C208 F105 1.341(7) .
C208 F104 1.342(6) .
C208 F4 1.353(6) .
C209 C214 1.398(4) .
C209 C210 1.405(4) .
C210 C211 1.393(4) .
C210 H210 0.9500 .
C211 C212 1.376(5) .
C211 C215 1.519(5) .
C212 C213 1.382(5) .
C212 H212 0.9500 .
C213 C214 1.396(4) .
C213 C216 1.495(5) .
C214 H214 0.9500 .
C215 F8 1.313(6) .
C215 F109 1.323(6) .
C215 F108 1.336(6) .
C215 F7 1.341(6) .
C215 F107 1.341(6) .
C215 F9 1.344(6) .
C216 F11 1.307(5) .
C216 F111 1.308(7) .
C216 F112 1.324(7) .
C216 F12 1.333(5) .
C216 F10 1.336(5) .
C216 F110 1.338(6) .
C217 C218 1.396(4) .
C217 C222 1.400(4) .
C218 C219 1.392(5) .
C218 H218 0.9500 .
C219 C220 1.380(5) .
C219 C223 1.501(5) .
C220 C221 1.390(5) .
C220 H220 0.9500 .
C221 C222 1.393(4) .
C221 C224 1.490(5) .
C222 H222 0.9500 .
C223 F113 1.323(7) .
C223 F13 1.329(6) .
C223 F14 1.332(6) .
C223 F115 1.341(7) .
C223 F15 1.342(6) .
C223 F114 1.343(7) .
C224 F116 1.266(6) .
C224 F17 1.285(5) .
C224 F117 1.294(6) .
C224 F16 1.299(6) .
C224 F18 1.380(6) .
C224 F118 1.384(6) .
C225 C230 1.396(5) .
C225 C226 1.400(4) .
C226 C227 1.390(4) .
C226 H226 0.9500 .
C227 C228 1.368(6) .
C227 C231 1.515(6) .
C228 C229 1.387(7) .
C228 H228 0.9500 .
C229 C230 1.390(5) .
C229 C232 1.488(8) .
C229 C332 1.519(10) .
C230 H230 0.9500 .
C231 F121 1.287(7) .
C231 F21 1.295(6) .
C231 F119 1.327(6) .
C231 F20 1.327(6) .
C231 F120 1.333(6) .
C231 F19 1.334(7) .
C232 F24 1.325(7) .
C232 F22 1.332(7) .
C232 F23 1.340(7) .
C332 F124 1.330(8) .
C332 F122 1.335(8) .
C332 F123 1.338(8) .
