# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_ls553
_database_code_depnum_ccdc_archive 'CCDC 1403198'
_audit_update_record             
;
2015-05-26 deposited with the CCDC.
2015-08-10 downloaded from the CCDC.
;
_audit_creation_date             2015-05-26
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3151 for OlexSys, GUI svn.r4998)
;
_chemical_name_common            ?
_chemical_name_systematic        
'bicyclo[2.2.1]hepta-2,5-diene{N-2,6-diisopropylphenyl(pentafluorophenyl)amidato}rhodium(I) dimer'
_chemical_formula_moiety         'C52 H50 F10 N2 O2 Rh2'
_chemical_formula_sum            'C52 H50 F10 N3 O4 Rh2'
_chemical_formula_weight         1176.77
_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 0.0033 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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   18.4133(19)
_cell_length_b                   13.6493(13)
_cell_length_c                   20.839(2)
_cell_angle_alpha                90
_cell_angle_beta                 101.855(3)
_cell_angle_gamma                90
_cell_volume                     5125.7(9)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9860
_cell_measurement_temperature    90.0
_cell_measurement_theta_max      30.140
_cell_measurement_theta_min      2.228
_shelx_estimated_absorpt_T_max   0.937
_shelx_estimated_absorpt_T_min   0.806
_exptl_absorpt_coefficient_mu    0.727
_exptl_absorpt_correction_T_max  0.9367
_exptl_absorpt_correction_T_min  0.8057
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/4 (Bruker,2014) was used for absorption correction.
wR2(int) was 0.0712 before and 0.0625 after correction.
The Ratio of minimum to maximum transmission is 0.8602.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear red'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.525
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             2380
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.09
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_av_unetI/netI     0.0835
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       ?
_diffrn_reflns_limit_h_min       ?
_diffrn_reflns_limit_k_max       ?
_diffrn_reflns_limit_k_min       ?
_diffrn_reflns_limit_l_max       ?
_diffrn_reflns_limit_l_min       ?
_diffrn_reflns_number            14974
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         30.140
_diffrn_reflns_theta_min         1.795
_diffrn_ambient_temperature      90.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker Apex Duo II'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10160
_reflns_number_total             14974
_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       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'SIR2004 (Burla et al., 2007)'
_refine_diff_density_max         0.606
_refine_diff_density_min         -0.568
_refine_diff_density_rms         0.119
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.961
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     613
_refine_ls_number_reflns         14974
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0780
_refine_ls_R_factor_gt           0.0449
_refine_ls_restrained_S_all      0.961
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0352P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0824
_refine_ls_wR_factor_ref         0.0908
_refine_special_details          ?
_olex2_refinement_description    
;
1. Others
 Fixed Uiso: H10(0.029) H11(0.034) H12(0.026) H14(0.022) H15A(0.044)
 H15B(0.044) H15C(0.044) H16A(0.039) H16B(0.039) H16C(0.039) H17(0.025)
 H18A(0.041) H18B(0.041) H18C(0.041) H19A(0.046) H19B(0.046) H19C(0.046)
 H20(0.025) H21(0.03) H22(0.039) H23(0.028) H24(0.029) H25(0.034) H26A(0.052)
 H26B(0.052) H36(0.02) H37(0.019) H38(0.018) H40(0.019) H41A(0.031) H41B(0.031)
 H41C(0.031) H42A(0.036) H42B(0.036) H42C(0.036) H43(0.022) H44A(0.038)
 H44B(0.038) H44C(0.038) H45A(0.037) H45B(0.037) H45C(0.037) H46(0.024)
 H47(0.026) H48(0.029) H49(0.024) H50(0.02) H51(0.025) H52A(0.034) H52B(0.034)
 Fixed X: H10(0.6725) H11(0.5514) H12(0.5034) H14(0.5935) H15A(0.510301)
 H15B(0.5674) H15C(0.4882) H16A(0.4521) H16B(0.5085) H16C(0.476299) H17(0.8058)
 H18A(0.8106) H18B(0.869801) H18C(0.7976) H19A(0.7528) H19B(0.83) H19C(0.7568)
 H20(0.7757) H21(0.7978) H22(0.6734) H23(0.629901) H24(0.608801) H25(0.639)
 H26A(0.657901) H26B(0.5828) H36(1.0435) H37(1.081301) H38(1.0225) H40(0.8835)
 H41A(1.0008) H41B(0.9415) H41C(0.9985) H42A(0.8942) H42B(0.837) H42C(0.8305)
 H43(0.9098) H44A(0.8544) H44B(0.8797) H44C(0.9272) H45A(1.0358) H45B(0.9921)
 H45C(1.0409) H46(0.698801) H47(0.6308) H48(0.608101) H49(0.7477) H50(0.8147)
 H51(0.7174) H52A(0.591101) H52B(0.643801)
 Fixed Y: H10(0.7893) H11(0.7901) H12(0.653901) H14(0.4251) H15A(0.438999)
 H15B(0.5249) H15C(0.5453) H16A(0.488999) H16B(0.439399) H16C(0.3799)
 H17(0.602301) H18A(0.7642) H18B(0.7463) H18C(0.806) H19A(0.700399)
 H19B(0.648101) H19C(0.5862) H20(0.2551) H21(0.427) H22(0.492) H23(0.504)
 H24(0.3339) H25(0.213201) H26A(0.3124) H26B(0.3477) H36(0.0165) H37(0.0076)
 H38(0.100801) H40(0.2817) H41A(0.3275) H41B(0.3246) H41C(0.2386)
 H42A(0.119801) H42B(0.2057) H42C(0.131901) H43(0.1798) H44A(0.025301)
 H44B(0.0321) H44C(-0.027401) H45A(0.069201) H45B(0.143201) H45C(0.182)
 H46(0.2002) H47(0.27) H48(0.1302) H49(0.1349) H50(0.0654) H51(0.0167)
 H52A(0.0322) H52B(-0.0283)
 Fixed Z: H10(0.2829) H11(0.225) H12(0.166101) H14(0.1574) H15A(0.058101)
 H15B(0.061601) H15C(0.0751) H16A(0.1729) H16B(0.2303) H16C(0.1664)
 H17(0.286099) H18A(0.2414) H18B(0.306) H18C(0.308201) H19A(0.3867)
 H19B(0.396399) H19C(0.3804) H20(0.389) H21(0.434699) H22(0.4562) H23(0.3309)
 H24(0.285999) H25(0.3809) H26A(0.486199) H26B(0.439499) H36(0.3524) H37(0.254)
 H38(0.1664) H40(0.168401) H41A(0.149) H41B(0.0832) H41C(0.101001) H42A(0.0858)
 H42B(0.068701) H42C(0.124901) H43(0.3947) H44A(0.365001) H44B(0.4414)
 H44C(0.400599) H45A(0.4552) H45B(0.4907) H45C(0.442599) H46(0.117001)
 H47(0.199901) H48(0.2751) H49(0.3248) H50(0.2408) H51(0.1394) H52A(0.1696)
 H52B(0.226)
;
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_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 0.76516(2) 0.23212(2) 0.23017(2) 0.01170(5) Uani 1 1 d . . . . .
Rh2 Rh 0.73479(2) 0.40030(2) 0.31917(2) 0.01256(5) Uani 1 1 d . . . . .
F1 F 0.92388(9) 0.35996(12) 0.45122(8) 0.0203(4) Uani 1 1 d . . . . .
F2 F 1.05389(10) 0.41595(12) 0.52399(8) 0.0247(4) Uani 1 1 d . . . . .
F3 F 1.17522(10) 0.43596(12) 0.46791(9) 0.0255(4) Uani 1 1 d . . . . .
F4 F 1.16185(9) 0.40280(12) 0.33811(9) 0.0230(4) Uani 1 1 d . . . . .
F5 F 1.03099(9) 0.35114(11) 0.26349(8) 0.0153(3) Uani 1 1 d . . . . .
F6 F 0.80499(10) 0.63597(12) 0.16195(8) 0.0213(4) Uani 1 1 d . . . . .
F7 F 0.81125(11) 0.71052(13) 0.04426(9) 0.0324(5) Uani 1 1 d . . . . .
F8 F 0.74592(13) 0.61398(13) -0.06717(9) 0.0360(5) Uani 1 1 d . . . . .
F9 F 0.67257(12) 0.44356(13) -0.05901(9) 0.0322(5) Uani 1 1 d . . . . .
F10 F 0.66637(10) 0.36697(11) 0.05850(8) 0.0230(4) Uani 1 1 d . . . . .
O1 O 0.84906(10) 0.40180(13) 0.32149(9) 0.0125(4) Uani 1 1 d . . . . .
O2 O 0.77222(11) 0.36388(13) 0.17954(9) 0.0136(4) Uani 1 1 d . . . . .
N1 N 0.87641(13) 0.25272(15) 0.28144(11) 0.0107(5) Uani 1 1 d . . . . .
N2 N 0.71301(12) 0.47952(15) 0.22882(11) 0.0110(5) Uani 1 1 d . . . . .
C1 C 0.73904(15) 0.44551(19) 0.17965(13) 0.0119(5) Uani 1 1 d . . . . .
C2 C 0.73475(16) 0.49918(19) 0.11505(13) 0.0127(5) Uani 1 1 d . . . . .
C3 C 0.77079(16) 0.5870(2) 0.10849(14) 0.0169(6) Uani 1 1 d . . . . .
C4 C 0.77549(18) 0.6258(2) 0.04854(15) 0.0215(7) Uani 1 1 d . . . . .
C5 C 0.74277(19) 0.5773(2) -0.00822(15) 0.0235(7) Uani 1 1 d . . . . .
C6 C 0.70583(18) 0.4902(2) -0.00387(14) 0.0219(7) Uani 1 1 d . . . . .
C7 C 0.70289(17) 0.45291(19) 0.05695(14) 0.0167(6) Uani 1 1 d . . . . .
C8 C 0.66880(15) 0.56859(19) 0.22385(13) 0.0124(5) Uani 1 1 d . . . . .
C9 C 0.69924(17) 0.65274(19) 0.25949(14) 0.0161(6) Uani 1 1 d . . . . .
C10 C 0.65341(18) 0.7340(2) 0.25939(16) 0.0241(7) Uani 1 1 d . . . . .
H10 H 0.6725 0.7893 0.2829 0.029 Uiso 1 1 d . . . . .
C11 C 0.58108(19) 0.7348(2) 0.22473(18) 0.0277(7) Uani 1 1 d . . . . .
H11 H 0.5514 0.7901 0.2250 0.034 Uiso 1 1 d . . . . .
C12 C 0.55187(16) 0.6527(2) 0.18969(16) 0.0214(7) Uani 1 1 d . . . . .
H12 H 0.5034 0.6539 0.1661 0.026 Uiso 1 1 d . . . . .
C13 C 0.59487(16) 0.5683(2) 0.18942(14) 0.0156(6) Uani 1 1 d . . . . .
C14 C 0.55702(17) 0.4786(2) 0.15320(15) 0.0188(6) Uani 1 1 d . . . . .
H14 H 0.5935 0.4251 0.1574 0.022 Uiso 1 1 d . . . . .
C15 C 0.52798(19) 0.4992(3) 0.08018(16) 0.0294(8) Uani 1 1 d . . . . .
H15A H 0.5103 0.4390 0.0581 0.044 Uiso 1 1 d . . . . .
H15B H 0.5674 0.5249 0.0616 0.044 Uiso 1 1 d . . . . .
H15C H 0.4882 0.5453 0.0751 0.044 Uiso 1 1 d . . . . .
C16 C 0.49226(18) 0.4436(2) 0.18378(16) 0.0257(7) Uani 1 1 d . . . . .
H16A H 0.4521 0.4890 0.1729 0.039 Uiso 1 1 d . . . . .
H16B H 0.5085 0.4394 0.2303 0.039 Uiso 1 1 d . . . . .
H16C H 0.4763 0.3799 0.1664 0.039 Uiso 1 1 d . . . . .
C17 C 0.77774(17) 0.6572(2) 0.29939(15) 0.0202(6) Uani 1 1 d . . . . .
H17 H 0.8058 0.6023 0.2861 0.025 Uiso 1 1 d . . . . .
C18 C 0.81764(19) 0.7525(2) 0.28771(17) 0.0275(7) Uani 1 1 d . . . . .
H18A H 0.8106 0.7642 0.2414 0.041 Uiso 1 1 d . . . . .
H18B H 0.8698 0.7463 0.3060 0.041 Uiso 1 1 d . . . . .
H18C H 0.7976 0.8060 0.3082 0.041 Uiso 1 1 d . . . . .
C19 C 0.7793(2) 0.6472(2) 0.37231(16) 0.0308(8) Uani 1 1 d . . . . .
H19A H 0.7528 0.7004 0.3867 0.046 Uiso 1 1 d . . . . .
H19B H 0.8300 0.6481 0.3964 0.046 Uiso 1 1 d . . . . .
H19C H 0.7568 0.5862 0.3804 0.046 Uiso 1 1 d . . . . .
C20 C 0.74000(18) 0.2994(2) 0.39742(14) 0.0206(7) Uani 1 1 d . . . . .
H20 H 0.7757 0.2551 0.3890 0.025 Uiso 1 1 d . . . . .
C21 C 0.75205(19) 0.3945(2) 0.42305(15) 0.0237(7) Uani 1 1 d . . . . .
H21 H 0.7978 0.4270 0.4347 0.030 Uiso 1 1 d . . . . .
C22 C 0.6753(2) 0.4351(3) 0.42802(16) 0.0323(9) Uani 1 1 d . . . . .
H22 H 0.6734 0.4920 0.4562 0.039 Uiso 1 1 d . . . . .
C23 C 0.64056(18) 0.4462(2) 0.35414(15) 0.0230(7) Uani 1 1 d . . . . .
H23 H 0.6299 0.5040 0.3309 0.028 Uiso 1 1 d . . . . .
C24 C 0.62905(18) 0.3512(2) 0.32889(16) 0.0238(7) Uani 1 1 d . . . . .
H24 H 0.6088 0.3339 0.2860 0.029 Uiso 1 1 d . . . . .
C25 C 0.65651(19) 0.2819(2) 0.38654(17) 0.0283(8) Uani 1 1 d . . . . .
H25 H 0.6390 0.2132 0.3809 0.034 Uiso 1 1 d . . . . .
C26 C 0.6363(2) 0.3405(3) 0.44373(18) 0.0430(11) Uani 1 1 d . . . . .
H26A H 0.6579 0.3124 0.4862 0.052 Uiso 1 1 d . . . . .
H26B H 0.5828 0.3477 0.4395 0.052 Uiso 1 1 d . . . . .
C27 C 0.89430(15) 0.33354(19) 0.31517(13) 0.0118(5) Uani 1 1 d . . . . .
C28 C 0.97185(15) 0.35376(18) 0.35406(13) 0.0118(5) Uani 1 1 d . . . . .
C29 C 0.98105(16) 0.37200(19) 0.42100(14) 0.0146(6) Uani 1 1 d . . . . .
C30 C 1.04822(17) 0.3994(2) 0.45932(14) 0.0175(6) Uani 1 1 d . . . . .
C31 C 1.10965(17) 0.40928(19) 0.43158(15) 0.0185(6) Uani 1 1 d . . . . .
C32 C 1.10260(16) 0.39189(19) 0.36535(14) 0.0151(6) Uani 1 1 d . . . . .
C33 C 1.03486(16) 0.36430(19) 0.32761(13) 0.0131(5) Uani 1 1 d . . . . .
C34 C 0.93298(15) 0.18216(18) 0.27448(13) 0.0114(5) Uani 1 1 d . . . . .
C35 C 0.96557(15) 0.12210(18) 0.32731(13) 0.0125(5) Uani 1 1 d . . . . .
C36 C 1.02110(16) 0.05670(19) 0.31800(14) 0.0157(6) Uani 1 1 d . . . . .
H36 H 1.0435 0.0165 0.3524 0.020 Uiso 1 1 d . . . . .
C37 C 1.04333(16) 0.05008(19) 0.25914(15) 0.0159(6) Uani 1 1 d . . . . .
H37 H 1.0813 0.0076 0.2540 0.019 Uiso 1 1 d . . . . .
C38 C 1.00833(16) 0.10660(19) 0.20676(14) 0.0149(6) Uani 1 1 d . . . . .
H38 H 1.0225 0.1008 0.1664 0.018 Uiso 1 1 d . . . . .
C39 C 0.95250(15) 0.17356(19) 0.21257(13) 0.0122(5) Uani 1 1 d . . . . .
C40 C 0.91481(16) 0.2321(2) 0.15316(14) 0.0162(6) Uani 1 1 d . . . . .
H40 H 0.8835 0.2817 0.1684 0.019 Uiso 1 1 d . . . . .
C41 C 0.96884(18) 0.2855(2) 0.11827(14) 0.0209(7) Uani 1 1 d . . . . .
H41A H 1.0008 0.3275 0.1490 0.031 Uiso 1 1 d . . . . .
H41B H 0.9415 0.3246 0.0832 0.031 Uiso 1 1 d . . . . .
H41C H 0.9985 0.2386 0.1010 0.031 Uiso 1 1 d . . . . .
C42 C 0.86450(18) 0.1663(2) 0.10361(15) 0.0236(7) Uani 1 1 d . . . . .
H42A H 0.8942 0.1198 0.0858 0.036 Uiso 1 1 d . . . . .
H42B H 0.8370 0.2057 0.0687 0.036 Uiso 1 1 d . . . . .
H42C H 0.8305 0.1319 0.1249 0.036 Uiso 1 1 d . . . . .
C43 C 0.94165(17) 0.1221(2) 0.39310(14) 0.0171(6) Uani 1 1 d . . . . .
H43 H 0.9098 0.1798 0.3947 0.022 Uiso 1 1 d . . . . .
C44 C 0.89637(19) 0.0294(2) 0.40064(16) 0.0255(7) Uani 1 1 d . . . . .
H44A H 0.8544 0.0253 0.3650 0.038 Uiso 1 1 d . . . . .
H44B H 0.8797 0.0321 0.4414 0.038 Uiso 1 1 d . . . . .
H44C H 0.9272 -0.0274 0.4006 0.038 Uiso 1 1 d . . . . .
C45 C 1.00873(19) 0.1297(2) 0.45079(15) 0.0243(7) Uani 1 1 d . . . . .
H45A H 1.0358 0.0692 0.4552 0.037 Uiso 1 1 d . . . . .
H45B H 0.9921 0.1432 0.4907 0.037 Uiso 1 1 d . . . . .
H45C H 1.0409 0.1820 0.4426 0.037 Uiso 1 1 d . . . . .
C46 C 0.68666(17) 0.1680(2) 0.15267(15) 0.0195(6) Uani 1 1 d . . . . .
H46 H 0.6988 0.2002 0.1170 0.024 Uiso 1 1 d . . . . .
C47 C 0.64937(17) 0.2065(2) 0.19889(16) 0.0218(7) Uani 1 1 d . . . . .
H47 H 0.6308 0.2700 0.1999 0.026 Uiso 1 1 d . . . . .
C48 C 0.64487(18) 0.1229(2) 0.24723(17) 0.0239(7) Uani 1 1 d . . . . .
H48 H 0.6081 0.1302 0.2751 0.029 Uiso 1 1 d . . . . .
C49 C 0.72711(18) 0.1168(2) 0.28185(15) 0.0199(6) Uani 1 1 d . . . . .
H49 H 0.7477 0.1349 0.3248 0.024 Uiso 1 1 d . . . . .
C50 C 0.76418(16) 0.07793(19) 0.23516(15) 0.0161(6) Uani 1 1 d . . . . .
H50 H 0.8147 0.0654 0.2408 0.020 Uiso 1 1 d . . . . .
C51 C 0.70490(17) 0.0603(2) 0.17295(15) 0.0207(6) Uani 1 1 d . . . . .
H51 H 0.7174 0.0167 0.1394 0.025 Uiso 1 1 d . . . . .
C52 C 0.63709(18) 0.0330(2) 0.20200(18) 0.0284(8) Uani 1 1 d . . . . .
H52A H 0.5911 0.0322 0.1696 0.034 Uiso 1 1 d . . . . .
H52B H 0.6438 -0.0283 0.2260 0.034 Uiso 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh1 Rh2 3.0738(4) . ?
Rh1 O2 2.1026(18) . ?
Rh1 N1 2.125(2) . ?
Rh1 C46 2.123(3) . ?
Rh1 C47 2.127(3) . ?
Rh1 C49 2.107(3) . ?
Rh1 C50 2.107(3) . ?
Rh2 O1 2.0949(19) . ?
Rh2 N2 2.136(2) . ?
Rh2 C20 2.122(3) . ?
Rh2 C21 2.124(3) . ?
Rh2 C23 2.110(3) . ?
Rh2 C24 2.108(3) . ?
F1 C29 1.343(3) . ?
F2 C30 1.349(3) . ?
F3 C31 1.337(3) . ?
F4 C32 1.338(3) . ?
F5 C33 1.336(3) . ?
F6 C3 1.340(3) . ?
F7 C4 1.343(3) . ?
F8 C5 1.339(3) . ?
F9 C6 1.346(3) . ?
F10 C7 1.356(3) . ?
O1 C27 1.275(3) . ?
O2 C1 1.271(3) . ?
N1 C27 1.313(3) . ?
N1 C34 1.448(3) . ?
N2 C1 1.303(3) . ?
N2 C8 1.455(3) . ?
C1 C2 1.521(4) . ?
C2 C3 1.390(4) . ?
C2 C7 1.385(4) . ?
C3 C4 1.376(4) . ?
C4 C5 1.381(4) . ?
C5 C6 1.381(4) . ?
C6 C7 1.377(4) . ?
C8 C9 1.419(4) . ?
C8 C13 1.402(4) . ?
C9 C10 1.393(4) . ?
C9 C17 1.514(4) . ?
C10 H10 0.929(3) . ?
C10 C11 1.379(5) . ?
C11 H11 0.932(3) . ?
C11 C12 1.385(4) . ?
C12 H12 0.926(3) . ?
C12 C13 1.398(4) . ?
C13 C14 1.529(4) . ?
C14 H14 0.984(3) . ?
C14 C15 1.531(4) . ?
C14 C16 1.539(4) . ?
C15 H15A 0.965(3) . ?
C15 H15B 0.957(3) . ?
C15 H15C 0.955(3) . ?
C16 H16A 0.956(3) . ?
C16 H16B 0.956(3) . ?
C16 H16C 0.964(3) . ?
C17 H17 0.981(3) . ?
C17 C18 1.538(4) . ?
C17 C19 1.520(4) . ?
C18 H18A 0.960(4) . ?
C18 H18B 0.962(3) . ?
C18 H18C 0.957(3) . ?
C19 H19A 0.957(3) . ?
C19 H19B 0.965(4) . ?
C19 H19C 0.960(3) . ?
C20 H20 0.936(3) . ?
C20 C21 1.404(4) . ?
C20 C25 1.526(5) . ?
C21 H21 0.939(4) . ?
C21 C22 1.542(4) . ?
C22 H22 0.978(3) . ?
C22 C23 1.548(4) . ?
C22 C26 1.546(5) . ?
C23 H23 0.926(3) . ?
C23 C24 1.399(4) . ?
C24 H24 0.926(3) . ?
C24 C25 1.531(4) . ?
C25 H25 0.990(3) . ?
C25 C26 1.543(5) . ?
C26 H26A 0.972(4) . ?
C26 H26B 0.975(4) . ?
C27 C28 1.515(4) . ?
C28 C29 1.393(4) . ?
C28 C33 1.390(4) . ?
C29 C30 1.379(4) . ?
C30 C31 1.379(4) . ?
C31 C32 1.380(4) . ?
C32 C33 1.383(4) . ?
C34 C35 1.404(4) . ?
C34 C39 1.414(4) . ?
C35 C36 1.401(4) . ?
C35 C43 1.524(4) . ?
C36 H36 0.929(3) . ?
C36 C37 1.373(4) . ?
C37 H37 0.931(3) . ?
C37 C38 1.383(4) . ?
C38 H38 0.934(3) . ?
C38 C39 1.399(4) . ?
C39 C40 1.517(4) . ?
C40 H40 0.983(3) . ?
C40 C41 1.532(4) . ?
C40 C42 1.529(4) . ?
C41 H41A 0.964(3) . ?
C41 H41B 0.960(3) . ?
C41 H41C 0.959(3) . ?
C42 H42A 0.960(3) . ?
C42 H42B 0.961(3) . ?
C42 H42C 0.961(3) . ?
C43 H43 0.987(3) . ?
C43 C44 1.540(4) . ?
C43 C45 1.540(4) . ?
C44 H44A 0.957(4) . ?
C44 H44B 0.961(3) . ?
C44 H44C 0.961(3) . ?
C45 H45A 0.959(3) . ?
C45 H45B 0.961(3) . ?
C45 H45C 0.965(3) . ?
C46 H46 0.929(3) . ?
C46 C47 1.396(4) . ?
C46 C51 1.547(4) . ?
C47 H47 0.934(3) . ?
C47 C48 1.535(4) . ?
C48 H48 0.983(3) . ?
C48 C49 1.540(5) . ?
C48 C52 1.536(4) . ?
C49 H49 0.931(3) . ?
C49 C50 1.403(4) . ?
C50 H50 0.929(3) . ?
C50 C51 1.532(4) . ?
C51 H51 0.981(3) . ?
C51 C52 1.541(4) . ?
C52 H52A 0.969(3) . ?
C52 H52B 0.970(3) . ?

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
O2 Rh1 Rh2 72.64(5) . . ?
O2 Rh1 N1 89.23(8) . . ?
O2 Rh1 C46 94.22(9) . . ?
O2 Rh1 C47 98.53(10) . . ?
O2 Rh1 C49 163.12(10) . . ?
O2 Rh1 C50 151.76(9) . . ?
N1 Rh1 Rh2 82.76(6) . . ?
N1 Rh1 C47 167.94(11) . . ?
C46 Rh1 Rh2 125.96(8) . . ?
C46 Rh1 N1 150.74(10) . . ?
C46 Rh1 C47 38.35(12) . . ?
C47 Rh1 Rh2 90.72(8) . . ?
C49 Rh1 Rh2 97.39(8) . . ?
C49 Rh1 N1 103.26(10) . . ?
C49 Rh1 C46 80.49(12) . . ?
C49 Rh1 C47 67.42(12) . . ?
C49 Rh1 C50 38.88(11) . . ?
C50 Rh1 Rh2 135.37(8) . . ?
C50 Rh1 N1 97.15(10) . . ?
C50 Rh1 C46 67.31(11) . . ?
C50 Rh1 C47 80.36(11) . . ?
O1 Rh2 Rh1 73.43(5) . . ?
O1 Rh2 N2 91.21(8) . . ?
O1 Rh2 C20 95.85(10) . . ?
O1 Rh2 C21 92.15(10) . . ?
O1 Rh2 C23 151.92(11) . . ?
O1 Rh2 C24 160.75(10) . . ?
N2 Rh2 Rh1 82.57(6) . . ?
C20 Rh2 Rh1 89.64(8) . . ?
C20 Rh2 N2 167.57(11) . . ?
C20 Rh2 C21 38.62(12) . . ?
C21 Rh2 Rh1 125.40(8) . . ?
C21 Rh2 N2 151.51(10) . . ?
C23 Rh2 Rh1 133.98(10) . . ?
C23 Rh2 N2 97.78(10) . . ?
C23 Rh2 C20 80.67(11) . . ?
C23 Rh2 C21 67.71(12) . . ?
C24 Rh2 Rh1 96.12(9) . . ?
C24 Rh2 N2 103.63(10) . . ?
C24 Rh2 C20 67.45(12) . . ?
C24 Rh2 C21 80.68(13) . . ?
C24 Rh2 C23 38.74(12) . . ?
C27 O1 Rh2 131.70(17) . . ?
C1 O2 Rh1 132.03(17) . . ?
C27 N1 Rh1 119.35(18) . . ?
C27 N1 C34 120.4(2) . . ?
C34 N1 Rh1 120.05(16) . . ?
C1 N2 Rh2 118.69(17) . . ?
C1 N2 C8 122.2(2) . . ?
C8 N2 Rh2 119.12(16) . . ?
O2 C1 N2 124.7(2) . . ?
O2 C1 C2 111.0(2) . . ?
N2 C1 C2 124.4(2) . . ?
C3 C2 C1 124.3(2) . . ?
C7 C2 C1 119.3(2) . . ?
C7 C2 C3 115.6(2) . . ?
F6 C3 C2 120.0(2) . . ?
F6 C3 C4 117.1(2) . . ?
C4 C3 C2 122.8(3) . . ?
F7 C4 C3 121.0(3) . . ?
F7 C4 C5 119.3(3) . . ?
C3 C4 C5 119.7(3) . . ?
F8 C5 C4 120.9(3) . . ?
F8 C5 C6 119.8(3) . . ?
C6 C5 C4 119.4(3) . . ?
F9 C6 C5 119.7(3) . . ?
F9 C6 C7 120.9(3) . . ?
C7 C6 C5 119.4(3) . . ?
F10 C7 C2 119.8(2) . . ?
F10 C7 C6 117.1(3) . . ?
C6 C7 C2 123.1(3) . . ?
C9 C8 N2 118.9(2) . . ?
C13 C8 N2 120.3(2) . . ?
C13 C8 C9 120.5(2) . . ?
C8 C9 C17 123.3(2) . . ?
C10 C9 C8 118.0(3) . . ?
C10 C9 C17 118.6(3) . . ?
C9 C10 H10 118.9(3) . . ?
C11 C10 C9 121.8(3) . . ?
C11 C10 H10 119.3(3) . . ?
C10 C11 H11 120.5(3) . . ?
C10 C11 C12 119.9(3) . . ?
C12 C11 H11 119.6(3) . . ?
C11 C12 H12 119.5(3) . . ?
C11 C12 C13 120.7(3) . . ?
C13 C12 H12 119.8(3) . . ?
C8 C13 C14 123.4(2) . . ?
C12 C13 C8 119.1(3) . . ?
C12 C13 C14 117.4(3) . . ?
C13 C14 H14 108.5(3) . . ?
C13 C14 C15 112.0(2) . . ?
C13 C14 C16 111.0(2) . . ?
C15 C14 H14 108.5(3) . . ?
C15 C14 C16 109.0(3) . . ?
C16 C14 H14 107.8(3) . . ?
C14 C15 H15A 109.4(3) . . ?
C14 C15 H15B 109.3(3) . . ?
C14 C15 H15C 109.5(3) . . ?
H15A C15 H15B 109.2(3) . . ?
H15A C15 H15C 109.4(3) . . ?
H15B C15 H15C 110.0(3) . . ?
C14 C16 H16A 109.1(3) . . ?
C14 C16 H16B 109.3(3) . . ?
C14 C16 H16C 109.1(3) . . ?
H16A C16 H16B 110.2(3) . . ?
H16A C16 H16C 109.5(3) . . ?
H16B C16 H16C 109.6(3) . . ?
C9 C17 H17 108.3(3) . . ?
C9 C17 C18 112.3(3) . . ?
C9 C17 C19 111.4(3) . . ?
C18 C17 H17 107.7(3) . . ?
C19 C17 H17 108.1(3) . . ?
C19 C17 C18 108.8(3) . . ?
C17 C18 H18A 109.2(3) . . ?
C17 C18 H18B 109.5(3) . . ?
C17 C18 H18C 109.5(3) . . ?
H18A C18 H18B 109.3(3) . . ?
H18A C18 H18C 109.7(3) . . ?
H18B C18 H18C 109.6(3) . . ?
C17 C19 H19A 109.9(3) . . ?
C17 C19 H19B 109.7(3) . . ?
C17 C19 H19C 109.4(3) . . ?
H19A C19 H19B 109.2(3) . . ?
H19A C19 H19C 109.7(4) . . ?
H19B C19 H19C 109.0(3) . . ?
Rh2 C20 H20 101.4(2) . . ?
C21 C20 Rh2 70.77(17) . . ?
C21 C20 H20 127.3(3) . . ?
C21 C20 C25 106.1(3) . . ?
C25 C20 Rh2 95.87(18) . . ?
C25 C20 H20 126.6(3) . . ?
Rh2 C21 H21 100.6(2) . . ?
C20 C21 Rh2 70.62(17) . . ?
C20 C21 H21 126.8(3) . . ?
C20 C21 C22 106.4(3) . . ?
C22 C21 Rh2 96.18(19) . . ?
C22 C21 H21 126.8(3) . . ?
C21 C22 H22 118.2(4) . . ?
C21 C22 C23 99.5(2) . . ?
C21 C22 C26 100.7(3) . . ?
C23 C22 H22 117.5(3) . . ?
C26 C22 H22 117.4(3) . . ?
C26 C22 C23 100.2(3) . . ?
Rh2 C23 H23 100.0(2) . . ?
C22 C23 Rh2 96.52(19) . . ?
C22 C23 H23 127.1(3) . . ?
C24 C23 Rh2 70.53(17) . . ?
C24 C23 C22 106.5(3) . . ?
C24 C23 H23 126.4(3) . . ?
Rh2 C24 H24 100.7(2) . . ?
C23 C24 Rh2 70.72(18) . . ?
C23 C24 H24 126.8(3) . . ?
C23 C24 C25 106.1(3) . . ?
C25 C24 Rh2 96.3(2) . . ?
C25 C24 H24 127.1(3) . . ?
C20 C25 C24 100.4(2) . . ?
C20 C25 H25 117.3(3) . . ?
C20 C25 C26 101.5(3) . . ?
C24 C25 H25 116.4(3) . . ?
C24 C25 C26 101.1(3) . . ?
C26 C25 H25 117.2(3) . . ?
C22 C26 H26A 113.6(4) . . ?
C22 C26 H26B 113.6(3) . . ?
C25 C26 C22 94.2(2) . . ?
C25 C26 H26A 112.4(3) . . ?
C25 C26 H26B 112.5(4) . . ?
H26A C26 H26B 109.9(3) . . ?
O1 C27 N1 124.9(3) . . ?
O1 C27 C28 112.1(2) . . ?
N1 C27 C28 123.0(2) . . ?
C29 C28 C27 118.4(2) . . ?
C33 C28 C27 125.3(2) . . ?
C33 C28 C29 116.0(3) . . ?
F1 C29 C28 120.1(3) . . ?
F1 C29 C30 117.2(3) . . ?
C30 C29 C28 122.6(3) . . ?
F2 C30 C29 120.0(3) . . ?
F2 C30 C31 120.0(3) . . ?
C31 C30 C29 119.9(3) . . ?
F3 C31 C30 120.8(3) . . ?
F3 C31 C32 120.1(3) . . ?
C30 C31 C32 119.1(3) . . ?
F4 C32 C31 119.2(3) . . ?
F4 C32 C33 120.5(3) . . ?
C31 C32 C33 120.3(3) . . ?
F5 C33 C28 120.4(2) . . ?
F5 C33 C32 117.5(2) . . ?
C32 C33 C28 122.1(3) . . ?
C35 C34 N1 120.7(2) . . ?
C35 C34 C39 121.3(2) . . ?
C39 C34 N1 118.0(2) . . ?
C34 C35 C43 123.3(2) . . ?
C36 C35 C34 118.0(2) . . ?
C36 C35 C43 118.6(2) . . ?
C35 C36 H36 119.4(3) . . ?
C37 C36 C35 121.7(3) . . ?
C37 C36 H36 118.9(3) . . ?
C36 C37 H37 120.8(3) . . ?
C36 C37 C38 119.5(3) . . ?
C38 C37 H37 119.7(3) . . ?
C37 C38 H38 119.5(3) . . ?
C37 C38 C39 121.8(2) . . ?
C39 C38 H38 118.7(3) . . ?
C34 C39 C40 122.8(2) . . ?
C38 C39 C34 117.5(2) . . ?
C38 C39 C40 119.7(2) . . ?
C39 C40 H40 107.4(2) . . ?
C39 C40 C41 113.9(2) . . ?
C39 C40 C42 110.7(2) . . ?
C41 C40 H40 107.9(2) . . ?
C42 C40 H40 108.0(3) . . ?
C42 C40 C41 108.8(2) . . ?
C40 C41 H41A 109.6(3) . . ?
C40 C41 H41B 109.6(3) . . ?
C40 C41 H41C 109.6(2) . . ?
H41A C41 H41B 109.2(3) . . ?
H41A C41 H41C 109.2(3) . . ?
H41B C41 H41C 109.6(3) . . ?
C40 C42 H42A 109.6(3) . . ?
C40 C42 H42B 109.5(3) . . ?
C40 C42 H42C 109.7(3) . . ?
H42A C42 H42B 109.3(3) . . ?
H42A C42 H42C 109.4(3) . . ?
H42B C42 H42C 109.3(3) . . ?
C35 C43 H43 108.3(2) . . ?
C35 C43 C44 110.8(2) . . ?
C35 C43 C45 111.6(2) . . ?
C44 C43 H43 108.3(3) . . ?
C45 C43 H43 107.9(3) . . ?
C45 C43 C44 109.9(2) . . ?
C43 C44 H44A 109.7(3) . . ?
C43 C44 H44B 109.7(3) . . ?
C43 C44 H44C 109.3(3) . . ?
H44A C44 H44B 109.5(3) . . ?
H44A C44 H44C 109.5(3) . . ?
H44B C44 H44C 109.1(3) . . ?
C43 C45 H45A 109.5(3) . . ?
C43 C45 H45B 110.0(3) . . ?
C43 C45 H45C 109.6(3) . . ?
H45A C45 H45B 109.5(3) . . ?
H45A C45 H45C 109.2(3) . . ?
H45B C45 H45C 109.1(3) . . ?
Rh1 C46 H46 100.1(2) . . ?
C47 C46 Rh1 70.98(18) . . ?
C47 C46 H46 127.4(3) . . ?
C47 C46 C51 106.2(3) . . ?
C51 C46 Rh1 96.21(19) . . ?
C51 C46 H46 126.4(3) . . ?
Rh1 C47 H47 100.9(2) . . ?
C46 C47 Rh1 70.67(18) . . ?
C46 C47 H47 126.8(3) . . ?
C46 C47 C48 105.9(2) . . ?
C48 C47 Rh1 96.1(2) . . ?
C48 C47 H47 127.3(3) . . ?
C47 C48 H48 116.7(3) . . ?
C47 C48 C49 99.6(2) . . ?
C47 C48 C52 101.6(3) . . ?
C49 C48 H48 117.3(3) . . ?
C52 C48 H48 117.0(3) . . ?
C52 C48 C49 101.7(2) . . ?
Rh1 C49 H49 100.4(2) . . ?
C48 C49 Rh1 96.79(18) . . ?
C48 C49 H49 127.1(3) . . ?
C50 C49 Rh1 70.58(16) . . ?
C50 C49 C48 105.5(3) . . ?
C50 C49 H49 127.4(3) . . ?
Rh1 C50 H50 99.88(19) . . ?
C49 C50 Rh1 70.54(15) . . ?
C49 C50 H50 126.8(3) . . ?
C49 C50 C51 106.4(3) . . ?
C51 C50 Rh1 97.28(17) . . ?
C51 C50 H50 126.8(3) . . ?
C46 C51 H51 116.8(3) . . ?
C50 C51 C46 99.2(2) . . ?
C50 C51 H51 117.9(3) . . ?
C50 C51 C52 101.5(3) . . ?
C52 C51 C46 100.9(2) . . ?
C52 C51 H51 117.4(3) . . ?
C48 C52 C51 93.8(2) . . ?
C48 C52 H52A 113.3(3) . . ?
C48 C52 H52B 112.8(3) . . ?
C51 C52 H52A 113.1(3) . . ?
C51 C52 H52B 112.5(3) . . ?
H52A C52 H52B 110.5(3) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Rh1 O2 C1 N2 27.6(4) . . . . ?
Rh1 O2 C1 C2 -153.26(18) . . . . ?
Rh1 N1 C27 O1 2.0(3) . . . . ?
Rh1 N1 C27 C28 179.00(18) . . . . ?
Rh1 N1 C34 C35 -111.6(2) . . . . ?
Rh1 N1 C34 C39 66.4(3) . . . . ?
Rh1 C46 C47 C48 -91.0(2) . . . . ?
Rh1 C46 C51 C50 1.8(2) . . . . ?
Rh1 C46 C51 C52 105.5(2) . . . . ?
Rh1 C47 C48 C49 -1.2(2) . . . . ?
Rh1 C47 C48 C52 -105.4(2) . . . . ?
Rh1 C49 C50 C51 -92.06(19) . . . . ?
Rh1 C50 C51 C46 -1.8(2) . . . . ?
Rh1 C50 C51 C52 -104.99(19) . . . . ?
Rh2 O1 C27 N1 27.9(4) . . . . ?
Rh2 O1 C27 C28 -149.44(18) . . . . ?
Rh2 N2 C1 O2 5.6(4) . . . . ?
Rh2 N2 C1 C2 -173.4(2) . . . . ?
Rh2 N2 C8 C9 69.4(3) . . . . ?
Rh2 N2 C8 C13 -104.7(3) . . . . ?
Rh2 C20 C21 C22 90.9(2) . . . . ?
Rh2 C20 C25 C24 -1.5(2) . . . . ?
Rh2 C20 C25 C26 -105.3(2) . . . . ?
Rh2 C21 C22 C23 2.4(3) . . . . ?
Rh2 C21 C22 C26 104.7(2) . . . . ?
Rh2 C23 C24 C25 91.1(2) . . . . ?
Rh2 C24 C25 C20 1.6(2) . . . . ?
Rh2 C24 C25 C26 105.6(2) . . . . ?
F1 C29 C30 F2 -2.0(4) . . . . ?
F1 C29 C30 C31 177.5(2) . . . . ?
F2 C30 C31 F3 -0.5(4) . . . . ?
F2 C30 C31 C32 179.9(2) . . . . ?
F3 C31 C32 F4 -0.5(4) . . . . ?
F3 C31 C32 C33 -180.0(2) . . . . ?
F4 C32 C33 F5 -1.3(4) . . . . ?
F4 C32 C33 C28 -179.0(2) . . . . ?
F6 C3 C4 F7 -1.7(4) . . . . ?
F6 C3 C4 C5 178.5(3) . . . . ?
F7 C4 C5 F8 -0.4(5) . . . . ?
F7 C4 C5 C6 -179.8(3) . . . . ?
F8 C5 C6 F9 -0.7(5) . . . . ?
F8 C5 C6 C7 179.9(3) . . . . ?
F9 C6 C7 F10 1.1(4) . . . . ?
F9 C6 C7 C2 -178.5(3) . . . . ?
O1 C27 C28 C29 55.2(3) . . . . ?
O1 C27 C28 C33 -118.8(3) . . . . ?
O2 C1 C2 C3 -114.0(3) . . . . ?
O2 C1 C2 C7 55.6(3) . . . . ?
N1 C27 C28 C29 -122.2(3) . . . . ?
N1 C27 C28 C33 63.8(4) . . . . ?
N1 C34 C35 C36 -178.7(2) . . . . ?
N1 C34 C35 C43 3.6(4) . . . . ?
N1 C34 C39 C38 178.7(2) . . . . ?
N1 C34 C39 C40 -2.3(4) . . . . ?
N2 C1 C2 C3 65.1(4) . . . . ?
N2 C1 C2 C7 -125.3(3) . . . . ?
N2 C8 C9 C10 -173.6(3) . . . . ?
N2 C8 C9 C17 4.1(4) . . . . ?
N2 C8 C13 C12 175.0(2) . . . . ?
N2 C8 C13 C14 -2.5(4) . . . . ?
C1 N2 C8 C9 -111.6(3) . . . . ?
C1 N2 C8 C13 74.4(3) . . . . ?
C1 C2 C3 F6 -8.3(4) . . . . ?
C1 C2 C3 C4 169.5(3) . . . . ?
C1 C2 C7 F10 9.6(4) . . . . ?
C1 C2 C7 C6 -170.7(3) . . . . ?
C2 C3 C4 F7 -179.5(3) . . . . ?
C2 C3 C4 C5 0.7(5) . . . . ?
C3 C2 C7 F10 -179.8(2) . . . . ?
C3 C2 C7 C6 -0.2(4) . . . . ?
C3 C4 C5 F8 179.3(3) . . . . ?
C3 C4 C5 C6 -0.1(5) . . . . ?
C4 C5 C6 F9 178.7(3) . . . . ?
C4 C5 C6 C7 -0.6(5) . . . . ?
C5 C6 C7 F10 -179.6(3) . . . . ?
C5 C6 C7 C2 0.8(5) . . . . ?
C7 C2 C3 F6 -178.3(2) . . . . ?
C7 C2 C3 C4 -0.5(4) . . . . ?
C8 N2 C1 O2 -173.5(2) . . . . ?
C8 N2 C1 C2 7.5(4) . . . . ?
C8 C9 C10 C11 -1.5(5) . . . . ?
C8 C9 C17 C18 134.7(3) . . . . ?
C8 C9 C17 C19 -103.0(3) . . . . ?
C8 C13 C14 C15 -121.6(3) . . . . ?
C8 C13 C14 C16 116.3(3) . . . . ?
C9 C8 C13 C12 1.1(4) . . . . ?
C9 C8 C13 C14 -176.4(3) . . . . ?
C9 C10 C11 C12 1.1(5) . . . . ?
C10 C9 C17 C18 -47.7(4) . . . . ?
C10 C9 C17 C19 74.7(3) . . . . ?
C10 C11 C12 C13 0.5(5) . . . . ?
C11 C12 C13 C8 -1.6(4) . . . . ?
C11 C12 C13 C14 176.1(3) . . . . ?
C12 C13 C14 C15 60.8(3) . . . . ?
C12 C13 C14 C16 -61.3(3) . . . . ?
C13 C8 C9 C10 0.4(4) . . . . ?
C13 C8 C9 C17 178.1(3) . . . . ?
C17 C9 C10 C11 -179.3(3) . . . . ?
C20 C21 C22 C23 -69.2(3) . . . . ?
C20 C21 C22 C26 33.2(3) . . . . ?
C20 C25 C26 C22 51.2(3) . . . . ?
C21 C20 C25 C24 70.1(3) . . . . ?
C21 C20 C25 C26 -33.6(3) . . . . ?
C21 C22 C23 Rh2 -2.4(3) . . . . ?
C21 C22 C23 C24 69.2(3) . . . . ?
C21 C22 C26 C25 -50.6(3) . . . . ?
C22 C23 C24 Rh2 -91.2(2) . . . . ?
C22 C23 C24 C25 -0.1(3) . . . . ?
C23 C22 C26 C25 51.3(3) . . . . ?
C23 C24 C25 C20 -70.1(3) . . . . ?
C23 C24 C25 C26 33.9(3) . . . . ?
C24 C25 C26 C22 -51.9(3) . . . . ?
C25 C20 C21 Rh2 -90.7(2) . . . . ?
C25 C20 C21 C22 0.2(3) . . . . ?
C26 C22 C23 Rh2 -105.2(2) . . . . ?
C26 C22 C23 C24 -33.6(3) . . . . ?
C27 N1 C34 C35 73.8(3) . . . . ?
C27 N1 C34 C39 -108.2(3) . . . . ?
C27 C28 C29 F1 8.0(4) . . . . ?
C27 C28 C29 C30 -174.2(2) . . . . ?
C27 C28 C33 F5 -3.9(4) . . . . ?
C27 C28 C33 C32 173.7(2) . . . . ?
C28 C29 C30 F2 -179.9(2) . . . . ?
C28 C29 C30 C31 -0.3(4) . . . . ?
C29 C28 C33 F5 -178.0(2) . . . . ?
C29 C28 C33 C32 -0.4(4) . . . . ?
C29 C30 C31 F3 179.9(2) . . . . ?
C29 C30 C31 C32 0.3(4) . . . . ?
C30 C31 C32 F4 179.0(2) . . . . ?
C30 C31 C32 C33 -0.4(4) . . . . ?
C31 C32 C33 F5 178.2(2) . . . . ?
C31 C32 C33 C28 0.5(4) . . . . ?
C33 C28 C29 F1 -177.4(2) . . . . ?
C33 C28 C29 C30 0.3(4) . . . . ?
C34 N1 C27 O1 176.6(2) . . . . ?
C34 N1 C27 C28 -6.3(4) . . . . ?
C34 C35 C36 C37 -0.4(4) . . . . ?
C34 C35 C43 C44 105.7(3) . . . . ?
C34 C35 C43 C45 -131.5(3) . . . . ?
C34 C39 C40 C41 129.2(3) . . . . ?
C34 C39 C40 C42 -107.9(3) . . . . ?
C35 C34 C39 C38 -3.3(4) . . . . ?
C35 C34 C39 C40 175.7(2) . . . . ?
C35 C36 C37 C38 -2.4(4) . . . . ?
C36 C35 C43 C44 -72.1(3) . . . . ?
C36 C35 C43 C45 50.7(3) . . . . ?
C36 C37 C38 C39 2.5(4) . . . . ?
C37 C38 C39 C34 0.3(4) . . . . ?
C37 C38 C39 C40 -178.7(3) . . . . ?
C38 C39 C40 C41 -51.8(3) . . . . ?
C38 C39 C40 C42 71.1(3) . . . . ?
C39 C34 C35 C36 3.4(4) . . . . ?
C39 C34 C35 C43 -174.4(3) . . . . ?
C43 C35 C36 C37 177.4(3) . . . . ?
C46 C47 C48 C49 70.4(3) . . . . ?
C46 C47 C48 C52 -33.8(3) . . . . ?
C46 C51 C52 C48 -51.0(3) . . . . ?
C47 C46 C51 C50 -70.2(3) . . . . ?
C47 C46 C51 C52 33.5(3) . . . . ?
C47 C48 C49 Rh1 1.3(2) . . . . ?
C47 C48 C49 C50 -70.4(3) . . . . ?
C47 C48 C52 C51 51.5(3) . . . . ?
C48 C49 C50 Rh1 91.85(19) . . . . ?
C48 C49 C50 C51 -0.2(3) . . . . ?
C49 C48 C52 C51 -51.0(3) . . . . ?
C49 C50 C51 C46 70.0(3) . . . . ?
C49 C50 C51 C52 -33.2(3) . . . . ?
C50 C51 C52 C48 50.8(3) . . . . ?
C51 C46 C47 Rh1 91.1(2) . . . . ?
C51 C46 C47 C48 0.1(3) . . . . ?
C52 C48 C49 Rh1 105.4(2) . . . . ?
C52 C48 C49 C50 33.7(3) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
_platon_squeeze_details          ?
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.500 0.000 1.000 340 107 ' '
2 0.500 0.500 0.500 340 107 ' '
3 0.115 0.194 0.574 7 1 ' '
4 0.115 0.305 0.074 7 1 ' '
5 0.885 0.694 0.926 7 1 ' '
6 0.885 0.805 0.426 7 1 ' '
####################################################################### 
# 
# 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_ls591t4_a_sq_s
_database_code_depnum_ccdc_archive 'CCDC 1403199'
_audit_update_record             
;
2015-05-26 deposited with the CCDC.
2015-08-10 downloaded from the CCDC.
;
_audit_creation_date             2015-05-26
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3151 for OlexSys, GUI svn.r4998)
;
_chemical_name_common            ?
_chemical_name_systematic        
'bicyclo[2.2.1]hepta-2,5-diene{N-2,6-diisopropylphenyl(pentafluorophenyl)amidato}tricyclohexylphosphine rhodium(I)'
_chemical_formula_moiety         'C44 H58 F5 N O P Rh, 0.25(C6 H14)'
_chemical_formula_sum            'C45.50 H61.50 F5 N O P Rh'
_chemical_formula_weight         867.33
_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 0.0033 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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_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                   9.9058(8)
_cell_length_b                   21.0289(17)
_cell_length_c                   21.6355(16)
_cell_angle_alpha                102.878(3)
_cell_angle_beta                 99.532(3)
_cell_angle_gamma                90.372(3)
_cell_volume                     4328.4(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    ?
_cell_measurement_temperature    90
_cell_measurement_theta_max      ?
_cell_measurement_theta_min      ?
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.487
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
 TWINABS-2012/1 (Bruker,2012) was used for absorption correction.
 
For component 1:
 wR2(int) was 0.0813 before and 0.0672 after correction.
 The Ratio of minimum to maximum transmission is 0.77.
 The λ/2 correction factor is Not present

Final HKLF 4 output contains 155808 reflections, Rint = 0.1134
 (42370 with I > 3sig(I), Rint = 0.0704)
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.331
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       cube
_exptl_crystal_F_000             1818
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.13
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_av_unetI/netI     0.0779
_diffrn_reflns_Laue_measured_fraction_full 0.984
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            15659
_diffrn_reflns_point_group_measured_fraction_full 0.984
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        25.401
_diffrn_reflns_theta_max         25.401
_diffrn_reflns_theta_min         1.227
_diffrn_ambient_temperature      90
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker Apex-II CCD'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                11473
_reflns_number_total             15659
_reflns_special_details          
;
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         1.140
_refine_diff_density_min         -1.210
_refine_diff_density_rms         0.111
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     991
_refine_ls_number_reflns         15659
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0798
_refine_ls_R_factor_gt           0.0528
_refine_ls_restrained_S_all      1.057
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0798P)²+1.5366P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1349
_refine_ls_wR_factor_ref         0.1457
_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.a Ternary CH refined with riding coordinates:
 C66(H66), C71(H71), C72(H72), C84(H84), C68(H68), C65(H65), C78(H78),
 C59(H59), C67(H67), C70(H70), C20(H20), C17(H17), C25(H25), C62(H62), C14(H14),
  C39(H39), C40(H40), C23(H23), C21(H21), C26(H26), C27(H27), C22(H22)
2.b Secondary CH2 refined with riding coordinates:
 C89(H89A,H89B), C85(H85A,H85B), C87(H87A,H87B), C83(H83A,H83B), C88(H88A,
 H88B), C73(H73A,H73B), C79(H79A,H79B), C38(H38A,H38B), C37(H37A,H37B),
 C34(H34A,H34B), C32(H32A,H32B), C80(H80A,H80B), C76(H76A,H76B), C82(H82A,H82B),
  C45(H45A,H45B), C69(H69A,H69B), C86(H86A,H86B), C77(H77A,H77B), C75(H75A,
 H75B), C74(H74A,H74B), C81(H81A,H81B), C36(H36A,H36B), C41(H41A,H41B),
 C42(H42A,H42B), C43(H43A,H43B), C30(H30A,H30B), C31(H31A,H31B), C28(H28A,H28B),
  C24(H24A,H24B), C44(H44A,H44B), C35(H35A,H35B), C29(H29A,H29B), C02Z(H02A,
 H02B), C030(H03A,H03B)
2.c Aromatic/amide H refined with riding coordinates:
 C57(H57), C55(H55), C12(H12), C56(H56), C10(H10), C11(H11)
2.d Idealised Me refined as rotating group:
 C61(H61A,H61B,H61C), C60(H60A,H60B,H60C), C15(H15A,H15B,H15C), C16(H16A,H16B,
 H16C), C19(H19A,H19B,H19C), C64(H64A,H64B,H64C), C63(H63A,H63B,H63C), C18(H18A,
 H18B,H18C), C031(H03C,H03D,H03E)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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
Rh2 Rh 0.03057(3) 0.60427(2) 0.63587(2) 0.01170(10) Uani 1 1 d . . . . .
Rh1 Rh 0.41290(4) 0.20613(2) 0.91327(2) 0.01860(11) Uani 1 1 d . . . . .
P2 P -0.03528(11) 0.70450(5) 0.61433(5) 0.0118(2) Uani 1 1 d . . . . .
P1 P 0.28655(12) 0.29606(6) 0.90094(5) 0.0183(3) Uani 1 1 d . . . . .
F10 F -0.3673(2) 0.53163(12) 0.63338(12) 0.0229(6) Uani 1 1 d . . . . .
F6 F -0.0054(3) 0.47352(12) 0.77945(12) 0.0257(6) Uani 1 1 d . . . . .
F9 F -0.4472(3) 0.40513(12) 0.58996(13) 0.0282(6) Uani 1 1 d . . . . .
F5 F 0.2597(3) 0.20906(12) 0.69304(12) 0.0245(6) Uani 1 1 d . . . . .
F8 F -0.3114(3) 0.31273(12) 0.64163(13) 0.0288(7) Uani 1 1 d . . . . .
F7 F -0.0879(3) 0.34797(12) 0.73570(13) 0.0312(7) Uani 1 1 d . . . . .
F4 F 0.3355(3) 0.23798(13) 0.58887(12) 0.0302(7) Uani 1 1 d . . . . .
O2 O -0.1131(3) 0.61513(13) 0.69775(13) 0.0153(6) Uani 1 1 d . . . . .
F1 F 0.6585(3) 0.08889(13) 0.72152(13) 0.0275(6) Uani 1 1 d . . . . .
F3 F 0.5702(3) 0.19304(13) 0.54944(12) 0.0315(7) Uani 1 1 d . . . . .
F2 F 0.7319(3) 0.11887(14) 0.61726(13) 0.0334(7) Uani 1 1 d . . . . .
O1 O 0.4206(3) 0.18950(14) 0.81565(14) 0.0202(7) Uani 1 1 d . . . . .
N2 N -0.1530(4) 0.59582(17) 0.79544(16) 0.0159(8) Uani 1 1 d . . . . .
N1 N 0.3807(4) 0.07887(17) 0.78016(16) 0.0188(8) Uani 1 1 d . . . . .
C52 C -0.2936(4) 0.4875(2) 0.6587(2) 0.0150(9) Uani 1 1 d . . . . .
C89 C -0.2863(4) 0.7682(2) 0.5860(2) 0.0155(9) Uani 1 1 d . . . . .
H89A H -0.2405 0.8078 0.6162 0.019 Uiso 1 1 calc R . . . .
H89B H -0.2710 0.7694 0.5422 0.019 Uiso 1 1 calc R . . . .
C46 C -0.1438(4) 0.5793(2) 0.7354(2) 0.0151(9) Uani 1 1 d . . . . .
C66 C 0.1468(4) 0.5752(2) 0.5618(2) 0.0166(10) Uani 1 1 d . . . . .
H66 H 0.1379 0.5947 0.5233 0.020 Uiso 1 1 calc R . . . .
C71 C 0.0621(4) 0.4980(2) 0.6105(2) 0.0159(9) Uani 1 1 d . . . . .
H71 H -0.0124 0.4640 0.6056 0.019 Uiso 1 1 calc R . . . .
C47 C -0.1818(4) 0.5074(2) 0.70709(19) 0.0141(9) Uani 1 1 d . . . . .
C51 C -0.3376(4) 0.4226(2) 0.6363(2) 0.0182(10) Uani 1 1 d . . . . .
C58 C -0.2242(4) 0.7086(2) 0.8266(2) 0.0174(10) Uani 1 1 d . . . . .
C72 C 0.0291(4) 0.7771(2) 0.67821(19) 0.0146(9) Uani 1 1 d . . . . .
H72 H 0.0068 0.8163 0.6601 0.017 Uiso 1 1 calc R . . . .
C84 C -0.2229(4) 0.7072(2) 0.60476(19) 0.0118(9) Uani 1 1 d . . . . .
H84 H -0.2442 0.7087 0.6486 0.014 Uiso 1 1 calc R . . . .
C68 C 0.1437(4) 0.5020(2) 0.5573(2) 0.0156(9) Uani 1 1 d . . . . .
H68 H 0.1109 0.4730 0.5139 0.019 Uiso 1 1 calc R . . . .
C85 C -0.2991(4) 0.6447(2) 0.5618(2) 0.0149(9) Uani 1 1 d . . . . .
H85A H -0.2875 0.6414 0.5166 0.018 Uiso 1 1 calc R . . . .
H85B H -0.2593 0.6061 0.5756 0.018 Uiso 1 1 calc R . . . .
C87 C -0.5159(4) 0.7058(2) 0.5468(2) 0.0200(10) Uani 1 1 d . . . . .
H87A H -0.5130 0.7035 0.5008 0.024 Uiso 1 1 calc R . . . .
H87B H -0.6131 0.7064 0.5524 0.024 Uiso 1 1 calc R . . . .
C3 C 0.5745(5) 0.1250(2) 0.6895(2) 0.0202(10) Uani 1 1 d . . . . .
C83 C 0.0387(5) 0.7939(2) 0.5382(2) 0.0186(10) Uani 1 1 d . . . . .
H83A H -0.0534 0.8120 0.5332 0.022 Uiso 1 1 calc R . . . .
H83B H 0.0939 0.8196 0.5785 0.022 Uiso 1 1 calc R . . . .
C54 C -0.0035(5) 0.6754(2) 0.8773(2) 0.0221(11) Uani 1 1 d . . . . .
C7 C 0.3770(5) 0.1847(2) 0.6755(2) 0.0209(10) Uani 1 1 d . . . . .
C49 C -0.1570(5) 0.3930(2) 0.7104(2) 0.0204(10) Uani 1 1 d . . . . .
C65 C 0.2329(4) 0.6034(2) 0.6209(2) 0.0195(10) Uani 1 1 d . . . . .
H65 H 0.2909 0.6442 0.6274 0.023 Uiso 1 1 calc R . . . .
C50 C -0.2678(5) 0.3753(2) 0.6627(2) 0.0197(10) Uani 1 1 d . . . . .
C88 C -0.4404(4) 0.7684(2) 0.5876(2) 0.0178(10) Uani 1 1 d . . . . .
H88A H -0.4548 0.7737 0.6326 0.021 Uiso 1 1 calc R . . . .
H88B H -0.4794 0.8061 0.5717 0.021 Uiso 1 1 calc R . . . .
C2 C 0.4539(4) 0.1471(2) 0.7107(2) 0.0176(10) Uani 1 1 d . . . . .
C78 C 0.0255(4) 0.7225(2) 0.5427(2) 0.0144(9) Uani 1 1 d . . . . .
H78 H 0.1209 0.7067 0.5450 0.017 Uiso 1 1 calc R . . . .
C5 C 0.5321(5) 0.1778(2) 0.6016(2) 0.0222(11) Uani 1 1 d . . . . .
C6 C 0.4139(5) 0.2005(2) 0.6218(2) 0.0207(10) Uani 1 1 d . . . . .
C73 C 0.1865(4) 0.7773(2) 0.6960(2) 0.0195(10) Uani 1 1 d . . . . .
H73A H 0.2125 0.7387 0.7136 0.023 Uiso 1 1 calc R . . . .
H73B H 0.2276 0.7743 0.6568 0.023 Uiso 1 1 calc R . . . .
C53 C -0.1253(4) 0.6610(2) 0.8314(2) 0.0177(10) Uani 1 1 d . . . . .
C79 C -0.0544(4) 0.6817(2) 0.47891(19) 0.0157(9) Uani 1 1 d . . . . .
H79A H -0.0604 0.6354 0.4816 0.019 Uiso 1 1 calc R . . . .
H79B H -0.1488 0.6970 0.4719 0.019 Uiso 1 1 calc R . . . .
C48 C -0.1150(5) 0.4590(2) 0.7320(2) 0.0197(10) Uani 1 1 d . . . . .
C38 C 0.4228(4) 0.4017(2) 0.9951(2) 0.0204(10) Uani 1 1 d . . . . .
H38A H 0.4300 0.4283 0.9633 0.025 Uiso 1 1 calc R . . . .
H38B H 0.5002 0.3721 0.9950 0.025 Uiso 1 1 calc R . . . .
C59 C -0.3560(4) 0.6909(2) 0.7788(2) 0.0210(10) Uani 1 1 d . . . . .
H59 H -0.3318 0.6659 0.7374 0.025 Uiso 1 1 calc R . . . .
C8 C 0.3706(5) 0.0237(2) 0.7278(2) 0.0184(10) Uani 1 1 d . . . . .
C37 C 0.4329(5) 0.4465(2) 1.0619(2) 0.0263(11) Uani 1 1 d . . . . .
H37A H 0.4357 0.4199 1.0944 0.032 Uiso 1 1 calc R . . . .
H37B H 0.5188 0.4740 1.0721 0.032 Uiso 1 1 calc R . . . .
C67 C 0.2808(5) 0.5461(2) 0.6510(2) 0.0202(10) Uani 1 1 d . . . . .
H67 H 0.3628 0.5543 0.6860 0.024 Uiso 1 1 calc R . . . .
C70 C 0.1440(4) 0.5247(2) 0.6679(2) 0.0187(10) Uani 1 1 d . . . . .
H70 H 0.1369 0.5117 0.7090 0.022 Uiso 1 1 calc R . . . .
C61 C -0.4344(5) 0.7500(2) 0.7648(2) 0.0295(12) Uani 1 1 d . . . . .
H61A H -0.4673 0.7732 0.8036 0.044 Uiso 1 1 calc GR . . . .
H61B H -0.5126 0.7353 0.7301 0.044 Uiso 1 1 calc GR . . . .
H61C H -0.3733 0.7795 0.7516 0.044 Uiso 1 1 calc GR . . . .
C4 C 0.6141(5) 0.1407(2) 0.6357(2) 0.0232(11) Uani 1 1 d . . . . .
C1 C 0.4160(4) 0.1351(2) 0.7733(2) 0.0188(10) Uani 1 1 d . . . . .
C34 C 0.1690(5) 0.4072(2) 0.9761(2) 0.0255(11) Uani 1 1 d . . . . .
H34A H 0.0809 0.3813 0.9635 0.031 Uiso 1 1 calc R . . . .
H34B H 0.1734 0.4345 0.9446 0.031 Uiso 1 1 calc R . . . .
C57 C -0.1973(5) 0.7695(2) 0.8676(2) 0.0231(11) Uani 1 1 d . . . . .
H57 H -0.2625 0.8022 0.8650 0.028 Uiso 1 1 calc R . . . .
C32 C 0.0709(5) 0.2263(2) 0.8069(2) 0.0244(11) Uani 1 1 d . . . . .
H32A H 0.1199 0.1857 0.8084 0.029 Uiso 1 1 calc R . . . .
H32B H 0.1041 0.2463 0.7746 0.029 Uiso 1 1 calc R . . . .
C80 C 0.0142(5) 0.6869(2) 0.4225(2) 0.0224(11) Uani 1 1 d . . . . .
H80A H -0.0417 0.6616 0.3821 0.027 Uiso 1 1 calc R . . . .
H80B H 0.1052 0.6676 0.4274 0.027 Uiso 1 1 calc R . . . .
C76 C 0.0215(5) 0.8482(2) 0.7871(2) 0.0237(11) Uani 1 1 d . . . . .
H76A H -0.0035 0.8859 0.7677 0.028 Uiso 1 1 calc R . . . .
H76B H -0.0199 0.8533 0.8264 0.028 Uiso 1 1 calc R . . . .
C13 C 0.4740(5) -0.0227(2) 0.7281(2) 0.0192(10) Uani 1 1 d . . . . .
C20 C 0.4426(5) 0.1085(2) 0.9344(2) 0.0264(11) Uani 1 1 d . . . . .
H20 H 0.4110 0.0668 0.9025 0.032 Uiso 1 1 calc R . . . .
C17 C 0.1329(5) 0.0568(2) 0.6823(2) 0.0244(11) Uani 1 1 d . . . . .
H17 H 0.1657 0.0990 0.7132 0.029 Uiso 1 1 calc R . . . .
C25 C 0.3706(5) 0.2009(2) 1.0040(2) 0.0241(11) Uani 1 1 d . . . . .
H25 H 0.2929 0.2234 1.0226 0.029 Uiso 1 1 calc R . . . .
C82 C 0.1062(5) 0.7994(2) 0.4817(2) 0.0220(11) Uani 1 1 d . . . . .
H82A H 0.2018 0.7858 0.4894 0.026 Uiso 1 1 calc R . . . .
H82B H 0.1092 0.8457 0.4787 0.026 Uiso 1 1 calc R . . . .
C62 C 0.1025(5) 0.6239(2) 0.8806(2) 0.0249(11) Uani 1 1 d . . . . .
H62 H 0.0533 0.5803 0.8637 0.030 Uiso 1 1 calc R . . . .
C45 C 0.2602(5) 0.3883(2) 0.8193(2) 0.0268(11) Uani 1 1 d . . . . .
H45A H 0.2851 0.4276 0.8546 0.032 Uiso 1 1 calc R . . . .
H45B H 0.1604 0.3788 0.8139 0.032 Uiso 1 1 calc R . . . .
C14 C 0.5892(5) -0.0153(2) 0.7849(2) 0.0229(10) Uani 1 1 d . . . . .
H14 H 0.6076 0.0325 0.8040 0.028 Uiso 1 1 calc R . . . .
C69 C 0.2888(4) 0.4925(2) 0.5907(2) 0.0206(10) Uani 1 1 d . . . . .
H69A H 0.3607 0.5023 0.5670 0.025 Uiso 1 1 calc R . . . .
H69B H 0.2997 0.4486 0.6000 0.025 Uiso 1 1 calc R . . . .
C55 C 0.0181(5) 0.7375(2) 0.9168(2) 0.0249(11) Uani 1 1 d . . . . .
H55 H 0.0999 0.7482 0.9475 0.030 Uiso 1 1 calc R . . . .
C12 C 0.4624(5) -0.0763(2) 0.6760(2) 0.0243(11) Uani 1 1 d . . . . .
H12 H 0.5322 -0.1071 0.6745 0.029 Uiso 1 1 calc R . . . .
C39 C 0.2882(5) 0.3612(2) 0.9755(2) 0.0210(10) Uani 1 1 d . . . . .
H39 H 0.2831 0.3379 1.0107 0.025 Uiso 1 1 calc R . . . .
C86 C -0.4511(4) 0.6456(2) 0.5660(2) 0.0180(10) Uani 1 1 d . . . . .
H86A H -0.4628 0.6457 0.6106 0.022 Uiso 1 1 calc R . . . .
H86B H -0.4987 0.6057 0.5372 0.022 Uiso 1 1 calc R . . . .
C56 C -0.0784(5) 0.7840(2) 0.9119(2) 0.0305(12) Uani 1 1 d . . . . .
H56 H -0.0625 0.8264 0.9394 0.037 Uiso 1 1 calc R . . . .
C40 C 0.3384(5) 0.3303(2) 0.8361(2) 0.0205(10) Uani 1 1 d . . . . .
H40 H 0.3156 0.2945 0.7965 0.025 Uiso 1 1 calc R . . . .
C60 C -0.4512(5) 0.6463(2) 0.8016(2) 0.0272(11) Uani 1 1 d . . . . .
H60A H -0.4065 0.6054 0.8048 0.041 Uiso 1 1 calc GR . . . .
H60B H -0.5371 0.6367 0.7707 0.041 Uiso 1 1 calc GR . . . .
H60C H -0.4708 0.6683 0.8439 0.041 Uiso 1 1 calc GR . . . .
C77 C -0.0357(5) 0.7853(2) 0.7396(2) 0.0207(10) Uani 1 1 d . . . . .
H77A H -0.1365 0.7867 0.7283 0.025 Uiso 1 1 calc R . . . .
H77B H -0.0148 0.7476 0.7595 0.025 Uiso 1 1 calc R . . . .
C10 C 0.2468(5) -0.0425(2) 0.6278(2) 0.0256(11) Uani 1 1 d . . . . .
H10 H 0.1693 -0.0503 0.5943 0.031 Uiso 1 1 calc R . . . .
C23 C 0.3969(5) 0.1285(2) 1.0008(2) 0.0291(12) Uani 1 1 d . . . . .
H23 H 0.3213 0.1012 1.0086 0.035 Uiso 1 1 calc R . . . .
C9 C 0.2533(5) 0.0133(2) 0.6786(2) 0.0205(10) Uani 1 1 d . . . . .
C75 C 0.1766(5) 0.8483(2) 0.8051(2) 0.0291(12) Uani 1 1 d . . . . .
H75A H 0.2107 0.8900 0.8354 0.035 Uiso 1 1 calc R . . . .
H75B H 0.2016 0.8124 0.8271 0.035 Uiso 1 1 calc R . . . .
C74 C 0.2433(5) 0.8397(2) 0.7460(2) 0.0240(11) Uani 1 1 d . . . . .
H74A H 0.3435 0.8373 0.7586 0.029 Uiso 1 1 calc R . . . .
H74B H 0.2264 0.8780 0.7267 0.029 Uiso 1 1 calc R . . . .
C81 C 0.0314(5) 0.7578(2) 0.4178(2) 0.0250(11) Uani 1 1 d . . . . .
H81A H -0.0598 0.7753 0.4068 0.030 Uiso 1 1 calc R . . . .
H81B H 0.0842 0.7600 0.3832 0.030 Uiso 1 1 calc R . . . .
C36 C 0.3113(5) 0.4900(2) 1.0649(2) 0.0261(11) Uani 1 1 d . . . . .
H36A H 0.3162 0.5159 1.1095 0.031 Uiso 1 1 calc R . . . .
H36B H 0.3162 0.5209 1.0368 0.031 Uiso 1 1 calc R . . . .
C41 C 0.4934(5) 0.3437(2) 0.8438(2) 0.0220(10) Uani 1 1 d . . . . .
H41A H 0.5229 0.3820 0.8797 0.026 Uiso 1 1 calc R . . . .
H41B H 0.5426 0.3055 0.8541 0.026 Uiso 1 1 calc R . . . .
C15 C 0.5457(5) -0.0462(2) 0.8363(2) 0.0298(12) Uani 1 1 d . . . . .
H15A H 0.4595 -0.0282 0.8473 0.045 Uiso 1 1 calc GR . . . .
H15B H 0.6169 -0.0367 0.8749 0.045 Uiso 1 1 calc GR . . . .
H15C H 0.5328 -0.0936 0.8199 0.045 Uiso 1 1 calc GR . . . .
C21 C 0.5678(5) 0.1380(2) 0.9409(2) 0.0270(11) Uani 1 1 d . . . . .
H21 H 0.6379 0.1202 0.9140 0.032 Uiso 1 1 calc R . . . .
C42 C 0.5286(5) 0.3569(2) 0.7819(2) 0.0279(12) Uani 1 1 d . . . . .
H42A H 0.5060 0.3171 0.7469 0.034 Uiso 1 1 calc R . . . .
H42B H 0.6282 0.3671 0.7878 0.034 Uiso 1 1 calc R . . . .
C26 C 0.5012(5) 0.2318(2) 1.0111(2) 0.0275(11) Uani 1 1 d . . . . .
H26 H 0.5243 0.2780 1.0352 0.033 Uiso 1 1 calc R . . . .
C11 C 0.3506(5) -0.0857(2) 0.6259(2) 0.0280(12) Uani 1 1 d . . . . .
H11 H 0.3461 -0.1220 0.5903 0.034 Uiso 1 1 calc R . . . .
C16 C 0.7231(5) -0.0437(3) 0.7674(3) 0.0330(12) Uani 1 1 d . . . . .
H16A H 0.7111 -0.0914 0.7534 0.050 Uiso 1 1 calc GR . . . .
H16B H 0.7960 -0.0322 0.8051 0.050 Uiso 1 1 calc GR . . . .
H16C H 0.7479 -0.0259 0.7324 0.050 Uiso 1 1 calc GR . . . .
C43 C 0.4504(5) 0.4134(3) 0.7627(2) 0.0338(13) Uani 1 1 d . . . . .
H43A H 0.4718 0.4191 0.7211 0.041 Uiso 1 1 calc R . . . .
H43B H 0.4801 0.4541 0.7955 0.041 Uiso 1 1 calc R . . . .
C27 C 0.1018(5) 0.2734(2) 0.8728(2) 0.0199(10) Uani 1 1 d . . . . .
H27 H 0.0525 0.3142 0.8699 0.024 Uiso 1 1 calc R . . . .
C30 C -0.1432(6) 0.1822(3) 0.8363(2) 0.0350(13) Uani 1 1 d . . . . .
H30A H -0.2438 0.1755 0.8230 0.042 Uiso 1 1 calc R . . . .
H30B H -0.1046 0.1392 0.8383 0.042 Uiso 1 1 calc R . . . .
C22 C 0.6048(5) 0.1769(2) 1.0114(2) 0.0289(12) Uani 1 1 d . . . . .
H22 H 0.7034 0.1902 1.0284 0.035 Uiso 1 1 calc R . . . .
C31 C -0.0834(5) 0.2099(2) 0.7868(2) 0.0276(12) Uani 1 1 d . . . . .
H31A H -0.1309 0.2500 0.7810 0.033 Uiso 1 1 calc R . . . .
H31B H -0.1003 0.1778 0.7450 0.033 Uiso 1 1 calc R . . . .
C19 C 0.0708(5) 0.0722(3) 0.6187(2) 0.0327(12) Uani 1 1 d . . . . .
H19A H 0.1418 0.0918 0.6013 0.049 Uiso 1 1 calc GR . . . .
H19B H -0.0023 0.1029 0.6255 0.049 Uiso 1 1 calc GR . . . .
H19C H 0.0327 0.0318 0.5883 0.049 Uiso 1 1 calc GR . . . .
C28 C 0.0452(5) 0.2429(2) 0.9227(2) 0.0280(12) Uani 1 1 d . . . . .
H28A H 0.0917 0.2020 0.9261 0.034 Uiso 1 1 calc R . . . .
H28B H 0.0644 0.2735 0.9655 0.034 Uiso 1 1 calc R . . . .
C64 C 0.2052(5) 0.6303(3) 0.8358(2) 0.0329(13) Uani 1 1 d . . . . .
H64A H 0.1554 0.6281 0.7922 0.049 Uiso 1 1 calc GR . . . .
H64B H 0.2684 0.5945 0.8348 0.049 Uiso 1 1 calc GR . . . .
H64C H 0.2572 0.6722 0.8518 0.049 Uiso 1 1 calc GR . . . .
C24 C 0.5341(5) 0.1326(3) 1.0458(2) 0.0312(12) Uani 1 1 d . . . . .
H24A H 0.5759 0.0897 1.0436 0.037 Uiso 1 1 calc R . . . .
H24B H 0.5288 0.1539 1.0910 0.037 Uiso 1 1 calc R . . . .
C44 C 0.2964(5) 0.4012(3) 0.7565(2) 0.0347(13) Uani 1 1 d . . . . .
H44A H 0.2651 0.3630 0.7207 0.042 Uiso 1 1 calc R . . . .
H44B H 0.2482 0.4397 0.7464 0.042 Uiso 1 1 calc R . . . .
C35 C 0.1764(5) 0.4514(2) 1.0442(2) 0.0284(12) Uani 1 1 d . . . . .
H35A H 0.1003 0.4817 1.0440 0.034 Uiso 1 1 calc R . . . .
H35B H 0.1661 0.4242 1.0751 0.034 Uiso 1 1 calc R . . . .
C63 C 0.1783(5) 0.6252(3) 0.9480(2) 0.0342(13) Uani 1 1 d . . . . .
H63A H 0.2331 0.6662 0.9648 0.051 Uiso 1 1 calc GR . . . .
H63B H 0.2388 0.5884 0.9465 0.051 Uiso 1 1 calc GR . . . .
H63C H 0.1120 0.6218 0.9762 0.051 Uiso 1 1 calc GR . . . .
C29 C -0.1106(5) 0.2282(3) 0.9026(2) 0.0404(15) Uani 1 1 d . . . . .
H29A H -0.1450 0.2081 0.9345 0.048 Uiso 1 1 calc R . . . .
H29B H -0.1575 0.2695 0.9017 0.048 Uiso 1 1 calc R . . . .
C18 C 0.0262(6) 0.0251(3) 0.7102(3) 0.0446(15) Uani 1 1 d . . . . .
H18A H -0.0015 -0.0184 0.6829 0.067 Uiso 1 1 calc GR . . . .
H18B H -0.0540 0.0521 0.7118 0.067 Uiso 1 1 calc GR . . . .
H18C H 0.0651 0.0210 0.7538 0.067 Uiso 1 1 calc GR . . . .
C02Z C 0.5446(6) 0.9805(3) 0.5183(3) 0.0462(15) Uani 1 1 d . . . . .
H02A H 0.4975 0.9374 0.5124 0.055 Uiso 1 1 calc R . . . .
H02B H 0.5550 1.0021 0.5645 0.055 Uiso 1 1 calc R . . . .
C030 C 0.6856(6) 0.9693(3) 0.5017(3) 0.0527(17) Uani 1 1 d . . . . .
H03A H 0.6763 0.9493 0.4551 0.063 Uiso 1 1 calc R . . . .
H03B H 0.7355 1.0121 0.5099 0.063 Uiso 1 1 calc R . . . .
C031 C 0.7675(7) 0.9274(3) 0.5375(3) 0.0609(19) Uani 1 1 d . . . . .
H03C H 0.8562 0.9213 0.5230 0.091 Uiso 1 1 calc GR . . . .
H03D H 0.7190 0.8849 0.5299 0.091 Uiso 1 1 calc GR . . . .
H03E H 0.7823 0.9480 0.5836 0.091 Uiso 1 1 calc GR . . . .


_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
Rh2 P2 2.3325(11) . ?
Rh2 O2 2.090(3) . ?
Rh2 C66 2.109(4) . ?
Rh2 C71 2.216(4) . ?
Rh2 C65 2.082(4) . ?
Rh2 C70 2.197(4) . ?
Rh1 P1 2.3149(13) . ?
Rh1 O1 2.077(3) . ?
Rh1 C20 2.213(5) . ?
Rh1 C25 2.099(4) . ?
Rh1 C21 2.207(5) . ?
Rh1 C26 2.100(5) . ?
P2 C72 1.845(4) . ?
P2 C84 1.839(4) . ?
P2 C78 1.865(4) . ?
P1 C39 1.866(4) . ?
P1 C40 1.853(4) . ?
P1 C27 1.854(5) . ?
F10 C52 1.340(5) . ?
F6 C48 1.347(5) . ?
F9 C51 1.337(5) . ?
F5 C7 1.351(5) . ?
F8 C50 1.336(5) . ?
F7 C49 1.334(5) . ?
F4 C6 1.345(5) . ?
O2 C46 1.293(5) . ?
F1 C3 1.342(5) . ?
F3 C5 1.350(5) . ?
F2 C4 1.346(5) . ?
O1 C1 1.292(5) . ?
N2 C46 1.287(5) . ?
N2 C53 1.417(5) . ?
N1 C8 1.420(5) . ?
N1 C1 1.278(6) . ?
C52 C47 1.384(6) . ?
C52 C51 1.385(6) . ?
C89 H89A 0.9900 . ?
C89 H89B 0.9900 . ?
C89 C84 1.538(6) . ?
C89 C88 1.533(6) . ?
C46 C47 1.519(6) . ?
C66 H66 1.0000 . ?
C66 C68 1.520(6) . ?
C66 C65 1.417(6) . ?
C71 H71 1.0000 . ?
C71 C68 1.529(5) . ?
C71 C70 1.365(6) . ?
C47 C48 1.379(6) . ?
C51 C50 1.388(6) . ?
C58 C53 1.413(6) . ?
C58 C59 1.513(6) . ?
C58 C57 1.381(6) . ?
C72 H72 1.0000 . ?
C72 C73 1.543(6) . ?
C72 C77 1.546(5) . ?
C84 H84 1.0000 . ?
C84 C85 1.539(6) . ?
C68 H68 1.0000 . ?
C68 C69 1.535(6) . ?
C85 H85A 0.9900 . ?
C85 H85B 0.9900 . ?
C85 C86 1.524(6) . ?
C87 H87A 0.9900 . ?
C87 H87B 0.9900 . ?
C87 C88 1.524(6) . ?
C87 C86 1.531(6) . ?
C3 C2 1.396(6) . ?
C3 C4 1.391(6) . ?
C83 H83A 0.9900 . ?
C83 H83B 0.9900 . ?
C83 C78 1.531(6) . ?
C83 C82 1.513(6) . ?
C54 C53 1.413(6) . ?
C54 C62 1.517(7) . ?
C54 C55 1.386(6) . ?
C7 C2 1.368(6) . ?
C7 C6 1.380(6) . ?
C49 C50 1.362(7) . ?
C49 C48 1.398(6) . ?
C65 H65 1.0000 . ?
C65 C67 1.535(6) . ?
C88 H88A 0.9900 . ?
C88 H88B 0.9900 . ?
C2 C1 1.535(6) . ?
C78 H78 1.0000 . ?
C78 C79 1.539(6) . ?
C5 C6 1.368(6) . ?
C5 C4 1.370(7) . ?
C73 H73A 0.9900 . ?
C73 H73B 0.9900 . ?
C73 C74 1.537(6) . ?
C79 H79A 0.9900 . ?
C79 H79B 0.9900 . ?
C79 C80 1.516(5) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C38 C37 1.527(6) . ?
C38 C39 1.523(6) . ?
C59 H59 1.0000 . ?
C59 C61 1.531(6) . ?
C59 C60 1.538(6) . ?
C8 C13 1.418(6) . ?
C8 C9 1.419(6) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C37 C36 1.518(7) . ?
C67 H67 1.0000 . ?
C67 C70 1.550(6) . ?
C67 C69 1.535(6) . ?
C70 H70 1.0000 . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C34 C39 1.532(6) . ?
C34 C35 1.547(6) . ?
C57 H57 0.9500 . ?
C57 C56 1.376(7) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C32 C27 1.527(6) . ?
C32 C31 1.533(7) . ?
C80 H80A 0.9900 . ?
C80 H80B 0.9900 . ?
C80 C81 1.528(6) . ?
C76 H76A 0.9900 . ?
C76 H76B 0.9900 . ?
C76 C77 1.524(6) . ?
C76 C75 1.520(7) . ?
C13 C14 1.512(6) . ?
C13 C12 1.395(6) . ?
C20 H20 1.0000 . ?
C20 C23 1.546(6) . ?
C20 C21 1.355(7) . ?
C17 H17 1.0000 . ?
C17 C9 1.510(6) . ?
C17 C19 1.516(7) . ?
C17 C18 1.519(6) . ?
C25 H25 1.0000 . ?
C25 C23 1.535(7) . ?
C25 C26 1.413(7) . ?
C82 H82A 0.9900 . ?
C82 H82B 0.9900 . ?
C82 C81 1.529(7) . ?
C62 H62 1.0000 . ?
C62 C64 1.542(6) . ?
C62 C63 1.521(7) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C45 C40 1.529(6) . ?
C45 C44 1.539(6) . ?
C14 H14 1.0000 . ?
C14 C15 1.525(6) . ?
C14 C16 1.528(6) . ?
C69 H69A 0.9900 . ?
C69 H69B 0.9900 . ?
C55 H55 0.9500 . ?
C55 C56 1.380(7) . ?
C12 H12 0.9500 . ?
C12 C11 1.394(7) . ?
C39 H39 1.0000 . ?
C86 H86A 0.9900 . ?
C86 H86B 0.9900 . ?
C56 H56 0.9500 . ?
C40 H40 1.0000 . ?
C40 C41 1.534(6) . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C77 H77A 0.9900 . ?
C77 H77B 0.9900 . ?
C10 H10 0.9500 . ?
C10 C9 1.410(6) . ?
C10 C11 1.377(7) . ?
C23 H23 1.0000 . ?
C23 C24 1.525(7) . ?
C75 H75A 0.9900 . ?
C75 H75B 0.9900 . ?
C75 C74 1.511(6) . ?
C74 H74A 0.9900 . ?
C74 H74B 0.9900 . ?
C81 H81A 0.9900 . ?
C81 H81B 0.9900 . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C36 C35 1.507(7) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C41 C42 1.519(6) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C21 H21 1.0000 . ?
C21 C22 1.544(7) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C42 C43 1.520(7) . ?
C26 H26 1.0000 . ?
C26 C22 1.550(7) . ?
C11 H11 0.9500 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C43 C44 1.524(7) . ?
C27 H27 1.0000 . ?
C27 C28 1.547(6) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C30 C31 1.524(6) . ?
C30 C29 1.524(7) . ?
C22 H22 1.0000 . ?
C22 C24 1.545(6) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C28 C29 1.542(7) . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
C64 H64C 0.9800 . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C02Z C02Z 1.465(11) 2_676 ?
C02Z H02A 0.9900 . ?
C02Z H02B 0.9900 . ?
C02Z C030 1.506(8) . ?
C030 H03A 0.9900 . ?
C030 H03B 0.9900 . ?
C030 C031 1.463(8) . ?
C031 H03C 0.9800 . ?
C031 H03D 0.9800 . ?
C031 H03E 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
O2 Rh2 P2 87.23(8) . . ?
O2 Rh2 C66 167.20(14) . . ?
O2 Rh2 C71 105.19(13) . . ?
O2 Rh2 C70 98.69(14) . . ?
C66 Rh2 P2 98.25(12) . . ?
C66 Rh2 C71 65.53(15) . . ?
C66 Rh2 C70 78.96(16) . . ?
C71 Rh2 P2 154.90(11) . . ?
C65 Rh2 P2 101.32(13) . . ?
C65 Rh2 O2 150.60(15) . . ?
C65 Rh2 C66 39.52(17) . . ?
C65 Rh2 C71 78.65(16) . . ?
C65 Rh2 C70 66.91(17) . . ?
C70 Rh2 P2 164.73(12) . . ?
C70 Rh2 C71 36.04(16) . . ?
O1 Rh1 P1 87.16(9) . . ?
O1 Rh1 C20 103.33(14) . . ?
O1 Rh1 C25 164.92(16) . . ?
O1 Rh1 C21 99.28(15) . . ?
O1 Rh1 C26 153.22(16) . . ?
C20 Rh1 P1 153.93(14) . . ?
C25 Rh1 P1 97.64(13) . . ?
C25 Rh1 C20 66.66(18) . . ?
C25 Rh1 C21 79.21(18) . . ?
C25 Rh1 C26 39.33(18) . . ?
C21 Rh1 P1 166.38(14) . . ?
C21 Rh1 C20 35.71(18) . . ?
C26 Rh1 P1 102.23(14) . . ?
C26 Rh1 C20 79.14(18) . . ?
C26 Rh1 C21 66.91(18) . . ?
C72 P2 Rh2 115.67(15) . . ?
C72 P2 C78 102.61(19) . . ?
C84 P2 Rh2 108.93(14) . . ?
C84 P2 C72 104.82(18) . . ?
C84 P2 C78 110.34(19) . . ?
C78 P2 Rh2 113.97(13) . . ?
C39 P1 Rh1 115.89(16) . . ?
C40 P1 Rh1 109.89(15) . . ?
C40 P1 C39 110.9(2) . . ?
C40 P1 C27 104.2(2) . . ?
C27 P1 Rh1 111.76(16) . . ?
C27 P1 C39 103.4(2) . . ?
C46 O2 Rh2 131.3(3) . . ?
C1 O1 Rh1 129.9(3) . . ?
C46 N2 C53 121.7(4) . . ?
C1 N1 C8 120.1(4) . . ?
F10 C52 C47 120.4(4) . . ?
F10 C52 C51 117.4(4) . . ?
C47 C52 C51 122.2(4) . . ?
H89A C89 H89B 108.0 . . ?
C84 C89 H89A 109.4 . . ?
C84 C89 H89B 109.4 . . ?
C88 C89 H89A 109.4 . . ?
C88 C89 H89B 109.4 . . ?
C88 C89 C84 111.2(3) . . ?
O2 C46 C47 118.6(3) . . ?
N2 C46 O2 129.4(4) . . ?
N2 C46 C47 111.9(3) . . ?
Rh2 C66 H66 123.0 . . ?
C68 C66 Rh2 99.4(2) . . ?
C68 C66 H66 123.0 . . ?
C65 C66 Rh2 69.2(2) . . ?
C65 C66 H66 123.0 . . ?
C65 C66 C68 105.7(4) . . ?
Rh2 C71 H71 123.3 . . ?
C68 C71 Rh2 94.7(3) . . ?
C68 C71 H71 123.3 . . ?
C70 C71 Rh2 71.2(2) . . ?
C70 C71 H71 123.3 . . ?
C70 C71 C68 107.3(4) . . ?
C52 C47 C46 121.3(4) . . ?
C48 C47 C52 116.5(4) . . ?
C48 C47 C46 122.0(4) . . ?
F9 C51 C52 120.6(4) . . ?
F9 C51 C50 119.8(4) . . ?
C52 C51 C50 119.5(4) . . ?
C53 C58 C59 119.5(4) . . ?
C57 C58 C53 118.0(4) . . ?
C57 C58 C59 122.5(4) . . ?
P2 C72 H72 107.2 . . ?
C73 C72 P2 110.3(3) . . ?
C73 C72 H72 107.2 . . ?
C73 C72 C77 109.8(4) . . ?
C77 C72 P2 114.8(3) . . ?
C77 C72 H72 107.2 . . ?
P2 C84 H84 104.9 . . ?
C89 C84 P2 116.4(3) . . ?
C89 C84 H84 104.9 . . ?
C89 C84 C85 110.6(3) . . ?
C85 C84 P2 113.8(3) . . ?
C85 C84 H84 104.9 . . ?
C66 C68 C71 100.4(3) . . ?
C66 C68 H68 117.1 . . ?
C66 C68 C69 101.8(3) . . ?
C71 C68 H68 117.1 . . ?
C71 C68 C69 100.4(3) . . ?
C69 C68 H68 117.1 . . ?
C84 C85 H85A 109.5 . . ?
C84 C85 H85B 109.5 . . ?
H85A C85 H85B 108.1 . . ?
C86 C85 C84 110.6(3) . . ?
C86 C85 H85A 109.5 . . ?
C86 C85 H85B 109.5 . . ?
H87A C87 H87B 108.0 . . ?
C88 C87 H87A 109.4 . . ?
C88 C87 H87B 109.4 . . ?
C88 C87 C86 111.0(4) . . ?
C86 C87 H87A 109.4 . . ?
C86 C87 H87B 109.4 . . ?
F1 C3 C2 120.7(4) . . ?
F1 C3 C4 117.5(4) . . ?
C4 C3 C2 121.8(4) . . ?
H83A C83 H83B 108.1 . . ?
C78 C83 H83A 109.5 . . ?
C78 C83 H83B 109.5 . . ?
C82 C83 H83A 109.5 . . ?
C82 C83 H83B 109.5 . . ?
C82 C83 C78 110.8(3) . . ?
C53 C54 C62 119.8(4) . . ?
C55 C54 C53 118.6(4) . . ?
C55 C54 C62 121.6(4) . . ?
F5 C7 C2 120.2(4) . . ?
F5 C7 C6 116.7(4) . . ?
C2 C7 C6 123.1(4) . . ?
F7 C49 C50 120.5(4) . . ?
F7 C49 C48 120.2(4) . . ?
C50 C49 C48 119.3(4) . . ?
Rh2 C65 H65 122.7 . . ?
C66 C65 Rh2 71.3(2) . . ?
C66 C65 H65 122.7 . . ?
C66 C65 C67 105.8(4) . . ?
C67 C65 Rh2 99.1(3) . . ?
C67 C65 H65 122.7 . . ?
F8 C50 C51 119.4(4) . . ?
F8 C50 C49 120.7(4) . . ?
C49 C50 C51 119.9(4) . . ?
C89 C88 H88A 109.1 . . ?
C89 C88 H88B 109.1 . . ?
C87 C88 C89 112.3(3) . . ?
C87 C88 H88A 109.1 . . ?
C87 C88 H88B 109.1 . . ?
H88A C88 H88B 107.9 . . ?
C3 C2 C1 122.0(4) . . ?
C7 C2 C3 116.1(4) . . ?
C7 C2 C1 121.7(4) . . ?
P2 C78 H78 105.0 . . ?
C83 C78 P2 118.4(3) . . ?
C83 C78 H78 105.0 . . ?
C83 C78 C79 109.6(3) . . ?
C79 C78 P2 112.5(3) . . ?
C79 C78 H78 105.0 . . ?
F3 C5 C6 120.5(4) . . ?
F3 C5 C4 119.8(4) . . ?
C6 C5 C4 119.7(4) . . ?
F4 C6 C7 121.0(4) . . ?
F4 C6 C5 119.3(4) . . ?
C5 C6 C7 119.7(4) . . ?
C72 C73 H73A 109.4 . . ?
C72 C73 H73B 109.4 . . ?
H73A C73 H73B 108.0 . . ?
C74 C73 C72 111.2(3) . . ?
C74 C73 H73A 109.4 . . ?
C74 C73 H73B 109.4 . . ?
C58 C53 N2 120.6(4) . . ?
C58 C53 C54 120.8(4) . . ?
C54 C53 N2 118.3(4) . . ?
C78 C79 H79A 109.3 . . ?
C78 C79 H79B 109.3 . . ?
H79A C79 H79B 108.0 . . ?
C80 C79 C78 111.4(4) . . ?
C80 C79 H79A 109.3 . . ?
C80 C79 H79B 109.3 . . ?
F6 C48 C47 120.9(4) . . ?
F6 C48 C49 116.5(4) . . ?
C47 C48 C49 122.6(4) . . ?
H38A C38 H38B 108.0 . . ?
C37 C38 H38A 109.3 . . ?
C37 C38 H38B 109.3 . . ?
C39 C38 H38A 109.3 . . ?
C39 C38 H38B 109.3 . . ?
C39 C38 C37 111.5(4) . . ?
C58 C59 H59 107.6 . . ?
C58 C59 C61 113.8(4) . . ?
C58 C59 C60 110.9(4) . . ?
C61 C59 H59 107.6 . . ?
C61 C59 C60 109.0(4) . . ?
C60 C59 H59 107.6 . . ?
C13 C8 N1 119.0(4) . . ?
C13 C8 C9 121.1(4) . . ?
C9 C8 N1 119.7(4) . . ?
C38 C37 H37A 109.5 . . ?
C38 C37 H37B 109.5 . . ?
H37A C37 H37B 108.1 . . ?
C36 C37 C38 110.8(4) . . ?
C36 C37 H37A 109.5 . . ?
C36 C37 H37B 109.5 . . ?
C65 C67 H67 117.4 . . ?
C65 C67 C70 99.9(3) . . ?
C65 C67 C69 101.3(4) . . ?
C70 C67 H67 117.4 . . ?
C69 C67 H67 117.4 . . ?
C69 C67 C70 100.3(4) . . ?
Rh2 C70 H70 123.5 . . ?
C71 C70 Rh2 72.8(3) . . ?
C71 C70 C67 106.0(4) . . ?
C71 C70 H70 123.5 . . ?
C67 C70 Rh2 94.0(3) . . ?
C67 C70 H70 123.5 . . ?
C59 C61 H61A 109.5 . . ?
C59 C61 H61B 109.5 . . ?
C59 C61 H61C 109.5 . . ?
H61A C61 H61B 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
F2 C4 C3 119.8(4) . . ?
F2 C4 C5 120.5(4) . . ?
C5 C4 C3 119.7(4) . . ?
O1 C1 C2 110.4(4) . . ?
N1 C1 O1 126.1(4) . . ?
N1 C1 C2 123.5(4) . . ?
H34A C34 H34B 108.2 . . ?
C39 C34 H34A 109.7 . . ?
C39 C34 H34B 109.7 . . ?
C39 C34 C35 109.9(4) . . ?
C35 C34 H34A 109.7 . . ?
C35 C34 H34B 109.7 . . ?
C58 C57 H57 119.2 . . ?
C56 C57 C58 121.6(5) . . ?
C56 C57 H57 119.2 . . ?
H32A C32 H32B 108.1 . . ?
C27 C32 H32A 109.5 . . ?
C27 C32 H32B 109.5 . . ?
C27 C32 C31 110.7(4) . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
C79 C80 H80A 109.3 . . ?
C79 C80 H80B 109.3 . . ?
C79 C80 C81 111.5(4) . . ?
H80A C80 H80B 108.0 . . ?
C81 C80 H80A 109.3 . . ?
C81 C80 H80B 109.3 . . ?
H76A C76 H76B 108.0 . . ?
C77 C76 H76A 109.3 . . ?
C77 C76 H76B 109.3 . . ?
C75 C76 H76A 109.3 . . ?
C75 C76 H76B 109.3 . . ?
C75 C76 C77 111.4(4) . . ?
C8 C13 C14 120.6(4) . . ?
C12 C13 C8 118.0(4) . . ?
C12 C13 C14 121.4(4) . . ?
Rh1 C20 H20 123.5 . . ?
C23 C20 Rh1 93.9(3) . . ?
C23 C20 H20 123.5 . . ?
C21 C20 Rh1 71.9(3) . . ?
C21 C20 H20 123.5 . . ?
C21 C20 C23 106.6(4) . . ?
C9 C17 H17 107.7 . . ?
C9 C17 C19 114.2(4) . . ?
C9 C17 C18 108.3(4) . . ?
C19 C17 H17 107.7 . . ?
C19 C17 C18 110.9(4) . . ?
C18 C17 H17 107.7 . . ?
Rh1 C25 H25 123.0 . . ?
C23 C25 Rh1 98.8(3) . . ?
C23 C25 H25 123.0 . . ?
C26 C25 Rh1 70.4(3) . . ?
C26 C25 H25 123.0 . . ?
C26 C25 C23 105.5(4) . . ?
C83 C82 H82A 109.0 . . ?
C83 C82 H82B 109.0 . . ?
C83 C82 C81 112.8(4) . . ?
H82A C82 H82B 107.8 . . ?
C81 C82 H82A 109.0 . . ?
C81 C82 H82B 109.0 . . ?
C54 C62 H62 107.4 . . ?
C54 C62 C64 109.5(4) . . ?
C54 C62 C63 114.6(4) . . ?
C64 C62 H62 107.4 . . ?
C63 C62 H62 107.4 . . ?
C63 C62 C64 110.2(4) . . ?
H45A C45 H45B 108.2 . . ?
C40 C45 H45A 109.8 . . ?
C40 C45 H45B 109.8 . . ?
C40 C45 C44 109.4(4) . . ?
C44 C45 H45A 109.8 . . ?
C44 C45 H45B 109.8 . . ?
C13 C14 H14 107.6 . . ?
C13 C14 C15 110.2(4) . . ?
C13 C14 C16 113.9(4) . . ?
C15 C14 H14 107.6 . . ?
C15 C14 C16 109.6(4) . . ?
C16 C14 H14 107.6 . . ?
C68 C69 C67 94.1(3) . . ?
C68 C69 H69A 112.9 . . ?
C68 C69 H69B 112.9 . . ?
C67 C69 H69A 112.9 . . ?
C67 C69 H69B 112.9 . . ?
H69A C69 H69B 110.3 . . ?
C54 C55 H55 119.7 . . ?
C56 C55 C54 120.6(5) . . ?
C56 C55 H55 119.7 . . ?
C13 C12 H12 119.3 . . ?
C11 C12 C13 121.4(4) . . ?
C11 C12 H12 119.3 . . ?
P1 C39 H39 105.9 . . ?
C38 C39 P1 112.1(3) . . ?
C38 C39 C34 109.1(4) . . ?
C38 C39 H39 105.9 . . ?
C34 C39 P1 117.1(3) . . ?
C34 C39 H39 105.9 . . ?
C85 C86 C87 111.3(3) . . ?
C85 C86 H86A 109.4 . . ?
C85 C86 H86B 109.4 . . ?
C87 C86 H86A 109.4 . . ?
C87 C86 H86B 109.4 . . ?
H86A C86 H86B 108.0 . . ?
C57 C56 C55 120.5(4) . . ?
C57 C56 H56 119.8 . . ?
C55 C56 H56 119.8 . . ?
P1 C40 H40 104.6 . . ?
C45 C40 P1 116.9(3) . . ?
C45 C40 H40 104.6 . . ?
C45 C40 C41 110.6(4) . . ?
C41 C40 P1 114.0(3) . . ?
C41 C40 H40 104.6 . . ?
C59 C60 H60A 109.5 . . ?
C59 C60 H60B 109.5 . . ?
C59 C60 H60C 109.5 . . ?
H60A C60 H60B 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C72 C77 H77A 109.8 . . ?
C72 C77 H77B 109.8 . . ?
C76 C77 C72 109.5(3) . . ?
C76 C77 H77A 109.8 . . ?
C76 C77 H77B 109.8 . . ?
H77A C77 H77B 108.2 . . ?
C9 C10 H10 119.4 . . ?
C11 C10 H10 119.4 . . ?
C11 C10 C9 121.2(5) . . ?
C20 C23 H23 116.9 . . ?
C25 C23 C20 100.6(3) . . ?
C25 C23 H23 116.9 . . ?
C24 C23 C20 100.9(4) . . ?
C24 C23 C25 101.7(4) . . ?
C24 C23 H23 116.9 . . ?
C8 C9 C17 121.9(4) . . ?
C10 C9 C8 117.9(4) . . ?
C10 C9 C17 120.0(4) . . ?
C76 C75 H75A 109.5 . . ?
C76 C75 H75B 109.5 . . ?
H75A C75 H75B 108.1 . . ?
C74 C75 C76 110.8(4) . . ?
C74 C75 H75A 109.5 . . ?
C74 C75 H75B 109.5 . . ?
C73 C74 H74A 109.4 . . ?
C73 C74 H74B 109.4 . . ?
C75 C74 C73 111.1(4) . . ?
C75 C74 H74A 109.4 . . ?
C75 C74 H74B 109.4 . . ?
H74A C74 H74B 108.0 . . ?
C80 C81 C82 110.5(4) . . ?
C80 C81 H81A 109.5 . . ?
C80 C81 H81B 109.5 . . ?
C82 C81 H81A 109.5 . . ?
C82 C81 H81B 109.5 . . ?
H81A C81 H81B 108.1 . . ?
C37 C36 H36A 109.2 . . ?
C37 C36 H36B 109.2 . . ?
H36A C36 H36B 107.9 . . ?
C35 C36 C37 112.3(4) . . ?
C35 C36 H36A 109.2 . . ?
C35 C36 H36B 109.2 . . ?
C40 C41 H41A 109.7 . . ?
C40 C41 H41B 109.7 . . ?
H41A C41 H41B 108.2 . . ?
C42 C41 C40 109.9(4) . . ?
C42 C41 H41A 109.7 . . ?
C42 C41 H41B 109.7 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Rh1 C21 H21 123.3 . . ?
C20 C21 Rh1 72.4(3) . . ?
C20 C21 H21 123.3 . . ?
C20 C21 C22 106.9(4) . . ?
C22 C21 Rh1 94.3(3) . . ?
C22 C21 H21 123.3 . . ?
C41 C42 H42A 109.3 . . ?
C41 C42 H42B 109.3 . . ?
C41 C42 C43 111.5(4) . . ?
H42A C42 H42B 108.0 . . ?
C43 C42 H42A 109.3 . . ?
C43 C42 H42B 109.3 . . ?
Rh1 C26 H26 123.0 . . ?
C25 C26 Rh1 70.3(3) . . ?
C25 C26 H26 123.0 . . ?
C25 C26 C22 105.8(4) . . ?
C22 C26 Rh1 98.3(3) . . ?
C22 C26 H26 123.0 . . ?
C12 C11 H11 119.9 . . ?
C10 C11 C12 120.1(4) . . ?
C10 C11 H11 119.9 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C42 C43 H43A 109.4 . . ?
C42 C43 H43B 109.4 . . ?
C42 C43 C44 111.0(4) . . ?
H43A C43 H43B 108.0 . . ?
C44 C43 H43A 109.4 . . ?
C44 C43 H43B 109.4 . . ?
P1 C27 H27 108.0 . . ?
C32 C27 P1 113.7(3) . . ?
C32 C27 H27 108.0 . . ?
C32 C27 C28 109.3(4) . . ?
C28 C27 P1 109.6(3) . . ?
C28 C27 H27 108.0 . . ?
H30A C30 H30B 108.1 . . ?
C31 C30 H30A 109.5 . . ?
C31 C30 H30B 109.5 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
C29 C30 C31 110.7(4) . . ?
C21 C22 C26 100.3(4) . . ?
C21 C22 H22 117.5 . . ?
C21 C22 C24 100.5(4) . . ?
C26 C22 H22 117.5 . . ?
C24 C22 C26 100.3(4) . . ?
C24 C22 H22 117.5 . . ?
C32 C31 H31A 109.1 . . ?
C32 C31 H31B 109.1 . . ?
C30 C31 C32 112.4(4) . . ?
C30 C31 H31A 109.1 . . ?
C30 C31 H31B 109.1 . . ?
H31A C31 H31B 107.9 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C27 C28 H28A 109.6 . . ?
C27 C28 H28B 109.6 . . ?
H28A C28 H28B 108.1 . . ?
C29 C28 C27 110.5(4) . . ?
C29 C28 H28A 109.6 . . ?
C29 C28 H28B 109.6 . . ?
C62 C64 H64A 109.5 . . ?
C62 C64 H64B 109.5 . . ?
C62 C64 H64C 109.5 . . ?
H64A C64 H64B 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
C23 C24 C22 94.0(4) . . ?
C23 C24 H24A 112.9 . . ?
C23 C24 H24B 112.9 . . ?
C22 C24 H24A 112.9 . . ?
C22 C24 H24B 112.9 . . ?
H24A C24 H24B 110.3 . . ?
C45 C44 H44A 109.5 . . ?
C45 C44 H44B 109.5 . . ?
C43 C44 C45 110.9(4) . . ?
C43 C44 H44A 109.5 . . ?
C43 C44 H44B 109.5 . . ?
H44A C44 H44B 108.1 . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
C36 C35 C34 110.5(4) . . ?
C36 C35 H35A 109.5 . . ?
C36 C35 H35B 109.5 . . ?
H35A C35 H35B 108.1 . . ?
C62 C63 H63A 109.5 . . ?
C62 C63 H63B 109.5 . . ?
C62 C63 H63C 109.5 . . ?
H63A C63 H63B 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C30 C29 C28 110.6(4) . . ?
C30 C29 H29A 109.5 . . ?
C30 C29 H29B 109.5 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 108.1 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C02Z C02Z H02A 108.1 2_676 . ?
C02Z C02Z H02B 108.1 2_676 . ?
C02Z C02Z C030 116.9(6) 2_676 . ?
H02A C02Z H02B 107.3 . . ?
C030 C02Z H02A 108.1 . . ?
C030 C02Z H02B 108.1 . . ?
C02Z C030 H03A 108.7 . . ?
C02Z C030 H03B 108.7 . . ?
H03A C030 H03B 107.6 . . ?
C031 C030 C02Z 114.4(5) . . ?
C031 C030 H03A 108.7 . . ?
C031 C030 H03B 108.7 . . ?
C030 C031 H03C 109.5 . . ?
C030 C031 H03D 109.5 . . ?
C030 C031 H03E 109.5 . . ?
H03C C031 H03D 109.5 . . ?
H03C C031 H03E 109.5 . . ?
H03D C031 H03E 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
Rh2 P2 C72 C73 54.4(3) . . . . ?
Rh2 P2 C72 C77 -70.3(3) . . . . ?
Rh2 P2 C84 C89 -176.3(2) . . . . ?
Rh2 P2 C84 C85 -45.8(3) . . . . ?
Rh2 P2 C78 C83 -156.8(3) . . . . ?
Rh2 P2 C78 C79 73.7(3) . . . . ?
Rh2 O2 C46 N2 128.9(4) . . . . ?
Rh2 O2 C46 C47 -54.2(5) . . . . ?
Rh2 C66 C68 C71 -1.5(3) . . . . ?
Rh2 C66 C68 C69 -104.6(3) . . . . ?
Rh2 C66 C65 C67 94.5(3) . . . . ?
Rh2 C71 C68 C66 1.4(3) . . . . ?
Rh2 C71 C68 C69 105.7(3) . . . . ?
Rh2 C71 C70 C67 -89.2(3) . . . . ?
Rh2 C65 C67 C70 3.6(3) . . . . ?
Rh2 C65 C67 C69 106.3(3) . . . . ?
Rh1 P1 C39 C38 75.4(3) . . . . ?
Rh1 P1 C39 C34 -157.5(3) . . . . ?
Rh1 P1 C40 C45 177.2(3) . . . . ?
Rh1 P1 C40 C41 -51.7(3) . . . . ?
Rh1 P1 C27 C32 -62.1(3) . . . . ?
Rh1 P1 C27 C28 60.6(3) . . . . ?
Rh1 O1 C1 N1 13.6(7) . . . . ?
Rh1 O1 C1 C2 -168.7(3) . . . . ?
Rh1 C20 C23 C25 -2.1(4) . . . . ?
Rh1 C20 C23 C24 -106.4(3) . . . . ?
Rh1 C20 C21 C22 89.1(3) . . . . ?
Rh1 C25 C23 C20 2.2(4) . . . . ?
Rh1 C25 C23 C24 105.9(3) . . . . ?
Rh1 C25 C26 C22 -93.4(3) . . . . ?
Rh1 C21 C22 C26 3.0(4) . . . . ?
Rh1 C21 C22 C24 105.7(3) . . . . ?
Rh1 C26 C22 C21 -3.2(4) . . . . ?
Rh1 C26 C22 C24 -106.1(3) . . . . ?
P2 C72 C73 C74 176.3(3) . . . . ?
P2 C72 C77 C76 -177.6(3) . . . . ?
P2 C84 C85 C86 169.7(3) . . . . ?
P2 C78 C79 C80 -168.6(3) . . . . ?
P1 C40 C41 C42 167.3(3) . . . . ?
P1 C27 C28 C29 176.0(3) . . . . ?
F10 C52 C47 C46 3.3(5) . . . . ?
F10 C52 C47 C48 177.6(3) . . . . ?
F10 C52 C51 F9 1.8(5) . . . . ?
F10 C52 C51 C50 -177.5(3) . . . . ?
F9 C51 C50 F8 -0.2(5) . . . . ?
F9 C51 C50 C49 -179.3(4) . . . . ?
F5 C7 C2 C3 -179.0(4) . . . . ?
F5 C7 C2 C1 -4.2(7) . . . . ?
F5 C7 C6 F4 -0.4(6) . . . . ?
F5 C7 C6 C5 179.6(4) . . . . ?
F7 C49 C50 F8 1.8(6) . . . . ?
F7 C49 C50 C51 -179.1(4) . . . . ?
F7 C49 C48 F6 -1.4(5) . . . . ?
F7 C49 C48 C47 179.3(4) . . . . ?
O2 C46 C47 C52 -60.7(5) . . . . ?
O2 C46 C47 C48 125.2(4) . . . . ?
F1 C3 C2 C7 178.7(4) . . . . ?
F1 C3 C2 C1 3.8(7) . . . . ?
F1 C3 C4 F2 0.9(7) . . . . ?
F1 C3 C4 C5 -179.6(4) . . . . ?
F3 C5 C6 F4 0.4(7) . . . . ?
F3 C5 C6 C7 -179.6(4) . . . . ?
F3 C5 C4 F2 -0.5(7) . . . . ?
F3 C5 C4 C3 -180.0(4) . . . . ?
N2 C46 C47 C52 116.7(4) . . . . ?
N2 C46 C47 C48 -57.3(5) . . . . ?
N1 C8 C13 C14 3.1(6) . . . . ?
N1 C8 C13 C12 -179.6(4) . . . . ?
N1 C8 C9 C17 -4.3(6) . . . . ?
N1 C8 C9 C10 -179.4(4) . . . . ?
C52 C47 C48 F6 -179.7(3) . . . . ?
C52 C47 C48 C49 -0.4(6) . . . . ?
C52 C51 C50 F8 179.2(3) . . . . ?
C52 C51 C50 C49 0.1(6) . . . . ?
C89 C84 C85 C86 -57.0(4) . . . . ?
C46 N2 C53 C58 78.9(5) . . . . ?
C46 N2 C53 C54 -107.9(5) . . . . ?
C46 C47 C48 F6 -5.4(6) . . . . ?
C46 C47 C48 C49 173.9(4) . . . . ?
C66 C68 C69 C67 51.5(4) . . . . ?
C66 C65 C67 C70 -69.4(4) . . . . ?
C66 C65 C67 C69 33.3(4) . . . . ?
C71 C68 C69 C67 -51.6(4) . . . . ?
C47 C52 C51 F9 179.1(3) . . . . ?
C47 C52 C51 C50 -0.2(6) . . . . ?
C51 C52 C47 C46 -174.0(3) . . . . ?
C51 C52 C47 C48 0.4(5) . . . . ?
C58 C57 C56 C55 -0.1(7) . . . . ?
C72 P2 C84 C89 59.4(3) . . . . ?
C72 P2 C84 C85 -170.1(3) . . . . ?
C72 P2 C78 C83 -30.9(4) . . . . ?
C72 P2 C78 C79 -160.5(3) . . . . ?
C72 C73 C74 C75 55.6(5) . . . . ?
C84 P2 C72 C73 174.4(3) . . . . ?
C84 P2 C72 C77 49.7(4) . . . . ?
C84 P2 C78 C83 80.3(4) . . . . ?
C84 P2 C78 C79 -49.2(3) . . . . ?
C84 C89 C88 C87 -53.9(5) . . . . ?
C84 C85 C86 C87 57.6(4) . . . . ?
C68 C66 C65 Rh2 -94.2(3) . . . . ?
C68 C66 C65 C67 0.2(4) . . . . ?
C68 C71 C70 Rh2 89.1(3) . . . . ?
C68 C71 C70 C67 -0.1(4) . . . . ?
C3 C2 C1 O1 112.2(5) . . . . ?
C3 C2 C1 N1 -70.1(6) . . . . ?
C83 C78 C79 C80 57.4(4) . . . . ?
C83 C82 C81 C80 -54.0(5) . . . . ?
C54 C55 C56 C57 -0.3(7) . . . . ?
C7 C2 C1 O1 -62.4(6) . . . . ?
C7 C2 C1 N1 115.4(5) . . . . ?
C65 C66 C68 C71 69.3(4) . . . . ?
C65 C66 C68 C69 -33.8(4) . . . . ?
C65 C67 C70 Rh2 -3.4(3) . . . . ?
C65 C67 C70 C71 69.8(4) . . . . ?
C65 C67 C69 C68 -51.0(4) . . . . ?
C50 C49 C48 F6 179.6(4) . . . . ?
C50 C49 C48 C47 0.3(6) . . . . ?
C88 C89 C84 P2 -173.1(3) . . . . ?
C88 C89 C84 C85 54.9(4) . . . . ?
C88 C87 C86 C85 -55.9(4) . . . . ?
C2 C3 C4 F2 179.3(4) . . . . ?
C2 C3 C4 C5 -1.2(7) . . . . ?
C2 C7 C6 F4 -179.6(4) . . . . ?
C2 C7 C6 C5 0.4(7) . . . . ?
C78 P2 C72 C73 -70.3(3) . . . . ?
C78 P2 C72 C77 165.0(3) . . . . ?
C78 P2 C84 C89 -50.5(3) . . . . ?
C78 P2 C84 C85 80.1(3) . . . . ?
C78 C83 C82 C81 55.9(5) . . . . ?
C78 C79 C80 C81 -56.7(5) . . . . ?
C6 C7 C2 C3 0.1(7) . . . . ?
C6 C7 C2 C1 175.0(4) . . . . ?
C6 C5 C4 F2 -178.8(4) . . . . ?
C6 C5 C4 C3 1.7(7) . . . . ?
C73 C72 C77 C76 57.5(5) . . . . ?
C53 N2 C46 O2 -1.5(7) . . . . ?
C53 N2 C46 C47 -178.5(4) . . . . ?
C53 C58 C59 C61 -163.7(4) . . . . ?
C53 C58 C59 C60 73.0(5) . . . . ?
C53 C58 C57 C56 -0.1(6) . . . . ?
C53 C54 C62 C64 90.2(5) . . . . ?
C53 C54 C62 C63 -145.4(4) . . . . ?
C53 C54 C55 C56 0.8(6) . . . . ?
C79 C80 C81 C82 53.9(5) . . . . ?
C48 C49 C50 F8 -179.2(3) . . . . ?
C48 C49 C50 C51 -0.1(6) . . . . ?
C38 C37 C36 C35 54.1(5) . . . . ?
C59 C58 C53 N2 -4.7(6) . . . . ?
C59 C58 C53 C54 -177.7(4) . . . . ?
C59 C58 C57 C56 178.2(4) . . . . ?
C8 N1 C1 O1 175.4(4) . . . . ?
C8 N1 C1 C2 -2.0(7) . . . . ?
C8 C13 C14 C15 85.9(5) . . . . ?
C8 C13 C14 C16 -150.5(4) . . . . ?
C8 C13 C12 C11 -2.2(7) . . . . ?
C37 C38 C39 P1 -170.0(3) . . . . ?
C37 C38 C39 C34 58.7(5) . . . . ?
C37 C36 C35 C34 -55.4(5) . . . . ?
C70 C71 C68 C66 -70.3(4) . . . . ?
C70 C71 C68 C69 33.9(4) . . . . ?
C70 C67 C69 C68 51.3(4) . . . . ?
C4 C3 C2 C7 0.3(7) . . . . ?
C4 C3 C2 C1 -174.6(4) . . . . ?
C4 C5 C6 F4 178.7(4) . . . . ?
C4 C5 C6 C7 -1.3(7) . . . . ?
C1 N1 C8 C13 105.6(5) . . . . ?
C1 N1 C8 C9 -79.0(5) . . . . ?
C57 C58 C53 N2 173.6(4) . . . . ?
C57 C58 C53 C54 0.6(6) . . . . ?
C57 C58 C59 C61 18.1(6) . . . . ?
C57 C58 C59 C60 -105.2(5) . . . . ?
C32 C27 C28 C29 -58.8(5) . . . . ?
C76 C75 C74 C73 -55.8(5) . . . . ?
C13 C8 C9 C17 171.1(4) . . . . ?
C13 C8 C9 C10 -4.0(6) . . . . ?
C13 C12 C11 C10 -1.6(7) . . . . ?
C20 C23 C24 C22 50.9(4) . . . . ?
C20 C21 C22 C26 -69.8(5) . . . . ?
C20 C21 C22 C24 32.8(5) . . . . ?
C25 C23 C24 C22 -52.5(4) . . . . ?
C25 C26 C22 C21 68.6(4) . . . . ?
C25 C26 C22 C24 -34.3(5) . . . . ?
C82 C83 C78 P2 172.7(3) . . . . ?
C82 C83 C78 C79 -56.5(5) . . . . ?
C62 C54 C53 N2 8.2(6) . . . . ?
C62 C54 C53 C58 -178.7(4) . . . . ?
C62 C54 C55 C56 178.5(4) . . . . ?
C45 C40 C41 C42 -58.5(5) . . . . ?
C14 C13 C12 C11 175.1(4) . . . . ?
C69 C67 C70 Rh2 -106.9(3) . . . . ?
C69 C67 C70 C71 -33.7(4) . . . . ?
C55 C54 C53 N2 -174.1(4) . . . . ?
C55 C54 C53 C58 -1.0(6) . . . . ?
C55 C54 C62 C64 -87.5(5) . . . . ?
C55 C54 C62 C63 36.9(6) . . . . ?
C12 C13 C14 C15 -91.3(5) . . . . ?
C12 C13 C14 C16 32.4(6) . . . . ?
C39 P1 C40 C45 -53.3(4) . . . . ?
C39 P1 C40 C41 77.8(4) . . . . ?
C39 P1 C27 C32 172.6(3) . . . . ?
C39 P1 C27 C28 -64.7(4) . . . . ?
C39 C38 C37 C36 -55.8(5) . . . . ?
C39 C34 C35 C36 57.9(5) . . . . ?
C86 C87 C88 C89 54.0(4) . . . . ?
C40 P1 C39 C38 -50.8(4) . . . . ?
C40 P1 C39 C34 76.3(4) . . . . ?
C40 P1 C27 C32 56.5(4) . . . . ?
C40 P1 C27 C28 179.3(3) . . . . ?
C40 C45 C44 C43 -57.3(6) . . . . ?
C40 C41 C42 C43 56.9(5) . . . . ?
C77 C72 C73 C74 -56.2(5) . . . . ?
C77 C76 C75 C74 58.2(5) . . . . ?
C23 C20 C21 Rh1 -88.7(3) . . . . ?
C23 C20 C21 C22 0.5(5) . . . . ?
C23 C25 C26 Rh1 94.0(3) . . . . ?
C23 C25 C26 C22 0.6(5) . . . . ?
C9 C8 C13 C14 -172.3(4) . . . . ?
C9 C8 C13 C12 5.0(6) . . . . ?
C9 C10 C11 C12 2.6(7) . . . . ?
C75 C76 C77 C72 -58.9(5) . . . . ?
C41 C42 C43 C44 -56.0(6) . . . . ?
C21 C20 C23 C25 70.2(5) . . . . ?
C21 C20 C23 C24 -34.1(5) . . . . ?
C21 C22 C24 C23 -50.5(4) . . . . ?
C42 C43 C44 C45 56.0(6) . . . . ?
C26 C25 C23 C20 -69.7(4) . . . . ?
C26 C25 C23 C24 33.9(4) . . . . ?
C26 C22 C24 C23 52.1(4) . . . . ?
C11 C10 C9 C8 0.2(7) . . . . ?
C11 C10 C9 C17 -175.0(4) . . . . ?
C27 P1 C39 C38 -162.0(3) . . . . ?
C27 P1 C39 C34 -34.9(4) . . . . ?
C27 P1 C40 C45 57.3(4) . . . . ?
C27 P1 C40 C41 -171.6(3) . . . . ?
C27 C32 C31 C30 -56.1(5) . . . . ?
C27 C28 C29 C30 58.2(6) . . . . ?
C31 C32 C27 P1 -179.9(3) . . . . ?
C31 C32 C27 C28 57.2(5) . . . . ?
C31 C30 C29 C28 -55.6(6) . . . . ?
C19 C17 C9 C8 140.2(4) . . . . ?
C19 C17 C9 C10 -44.8(6) . . . . ?
C44 C45 C40 P1 -168.7(3) . . . . ?
C44 C45 C40 C41 58.6(5) . . . . ?
C35 C34 C39 P1 172.3(3) . . . . ?
C35 C34 C39 C38 -59.2(5) . . . . ?
C29 C30 C31 C32 54.9(6) . . . . ?
C18 C17 C9 C8 -95.6(5) . . . . ?
C18 C17 C9 C10 79.4(6) . . . . ?
C02Z C02Z C030 C031 -177.2(7) 2_676 . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_mo_ls579_0m_a
_database_code_depnum_ccdc_archive 'CCDC 1403200'
_audit_update_record             
;
2015-05-26 deposited with the CCDC.
2015-08-10 downloaded from the CCDC.
;
_audit_creation_date             2015-05-26
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3151 for OlexSys, GUI svn.r4998)
;
_chemical_name_common            ?
_chemical_name_systematic        
tris(triphenylphosphine)(pentafluorophenyl)rhodium(I)
_chemical_formula_moiety         'C60 H45 F5 P3 Rh, 0.99(C6 H14)'
_chemical_formula_sum            'C65.94 H58.86 F5 P3 Rh'
_chemical_formula_weight         1142.12
_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 0.0033 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'
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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   11.1408(7)
_cell_length_b                   37.184(2)
_cell_length_c                   12.9377(8)
_cell_angle_alpha                90
_cell_angle_beta                 96.3810(10)
_cell_angle_gamma                90
_cell_volume                     5326.4(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9989
_cell_measurement_temperature    90.0
_cell_measurement_theta_max      26.018
_cell_measurement_theta_min      2.290
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.471
_exptl_absorpt_correction_T_max  0.9547
_exptl_absorpt_correction_T_min  0.4922
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014) was used for absorption correction.
wR2(int) was 0.0675 before and 0.0611 after correction.
The Ratio of minimum to maximum transmission is 0.9369.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.424
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             2358
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0827
_diffrn_reflns_av_unetI/netI     0.0669
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       45
_diffrn_reflns_limit_k_min       -45
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            49268
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         26.062
_diffrn_reflns_theta_min         1.919
_diffrn_ambient_temperature      90.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker Apex Duo II'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7778
_reflns_number_total             10500
_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       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'SIR2004 (Burla et al., 2007)'
_refine_diff_density_max         0.739
_refine_diff_density_min         -0.449
_refine_diff_density_rms         0.086
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     733
_refine_ls_number_reflns         10500
_refine_ls_number_restraints     711
_refine_ls_R_factor_all          0.0694
_refine_ls_R_factor_gt           0.0414
_refine_ls_restrained_S_all      0.988
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0261P)²+5.3951P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0765
_refine_ls_wR_factor_ref         0.0853
_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
 C61-C62
 1.54 with sigma of 0.01
 C68-C67
 1.54 with sigma of 0.01
 C75-C74 = C74-C73
 1.54 with sigma of 0.01
 C78-C77
 1.54 with sigma of 0.01
 C62-C61 \\sim C63-C62 \\sim C64-C63 \\sim C65-C64 \\sim C66-C65
 with sigma of 0.01
 C61-C63 \\sim C62-C64 \\sim C63-C65 \\sim C64-C66
 with sigma of 0.01
 C68-C67 \\sim C69-C68 \\sim C70-C69 \\sim C71-C70 \\sim C72-C71
 with sigma of 0.01
 C67-C69 \\sim C68-C70 \\sim C69-C71 \\sim C70-C72
 with sigma of 0.01
 C74-C73 \\sim C75-C74 \\sim C76-C75 \\sim C77-C76 \\sim C78-C77
 with sigma of 0.01
 C73-C75 \\sim C74-C76 \\sim C75-C77 \\sim C76-C78
 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
Uanis(C72) = Uanis(C66) = Uanis(C78)
Uanis(C65) = Uanis(C71) = Uanis(C77)
Uanis(C64) = Uanis(C76)
Uanis(C70) = Uanis(C75) = Uanis(C63)
Uanis(C74) = Uanis(C67)
Uanis(C73) = Uanis(C68) = Uanis(C62)
4. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 1*[Sof(C62)+Sof(H62A)+Sof(H62B)+Sof(C65)+Sof(H65A)+Sof(H65B)+Sof(C66)+
 Sof(H66A)+Sof(H66B)+Sof(H66C)+Sof(C63)+Sof(H63A)+Sof(H63B)+Sof(C64)+Sof(H64A)+
 Sof(H64B)+Sof(C61)+Sof(H61A)+Sof(H61B)+Sof(H61C)]+1*[Sof(C70)+Sof(H70A)+
 Sof(H70B)+Sof(C68)+Sof(H68A)+Sof(H68B)+Sof(C69)+Sof(H69A)+Sof(H69B)+Sof(C72)+
 Sof(H72A)+Sof(H72B)+Sof(H72C)+Sof(C71)+Sof(H71A)+Sof(H71B)+Sof(C67)+Sof(H67A)+
 Sof(H67B)+Sof(H67C)]+1*[Sof(C73)+Sof(H73A)+Sof(H73B)+Sof(H73C)+Sof(C74)+
 Sof(H74A)+Sof(H74B)+Sof(C75)+Sof(H75A)+Sof(H75B)+Sof(C76)+Sof(H76A)+Sof(H76B)+
 Sof(C77)+Sof(H77A)+Sof(H77B)+Sof(C78)+Sof(H78A)+Sof(H78B)+Sof(H78C)]=1 with
 esd of 0.003
 Sof(C62)=Sof(H62A)=Sof(H62B)=Sof(C65)=Sof(H65A)=Sof(H65B)=Sof(C66)=Sof(H66A)=
 Sof(H66B)=Sof(H66C)=Sof(C63)=Sof(H63A)=Sof(H63B)=Sof(C64)=Sof(H64A)=Sof(H64B)=
 Sof(C61)=Sof(H61A)=Sof(H61B)=Sof(H61C)=FVAR(1)
 Sof(C70)=Sof(H70A)=Sof(H70B)=Sof(C68)=Sof(H68A)=Sof(H68B)=Sof(C69)=Sof(H69A)=
 Sof(H69B)=Sof(C72)=Sof(H72A)=Sof(H72B)=Sof(H72C)=Sof(C71)=Sof(H71A)=Sof(H71B)=
 Sof(C67)=Sof(H67A)=Sof(H67B)=Sof(H67C)=FVAR(2)
 Sof(C73)=Sof(H73A)=Sof(H73B)=Sof(H73C)=Sof(C74)=Sof(H74A)=Sof(H74B)=Sof(C75)=
 Sof(H75A)=Sof(H75B)=Sof(C76)=Sof(H76A)=Sof(H76B)=Sof(C77)=Sof(H77A)=Sof(H77B)=
 Sof(C78)=Sof(H78A)=Sof(H78B)=Sof(H78C)=FVAR(3)
6.a Secondary CH2 refined with riding coordinates:
 C62(H62A,H62B), C65(H65A,H65B), C63(H63A,H63B), C64(H64A,H64B), C70(H70A,
 H70B), C68(H68A,H68B), C69(H69A,H69B), C71(H71A,H71B), C74(H74A,H74B),
 C75(H75A,H75B), C76(H76A,H76B), C77(H77A,H77B)
6.b Aromatic/amide H refined with riding coordinates:
 C27(H27), C50(H50), C12(H12), C28(H28), C39(H39), C6(H6), C2(H2), C37(H37),
 C8(H8), C3(H3), C16(H16), C43(H43), C51(H51), C47(H47), C18(H18), C11(H11),
 C52(H52), C31(H31), C46(H46), C45(H45), C40(H40), C41(H41), C20(H20), C44(H44),
  C33(H33), C14(H14), C24(H24), C25(H25), C29(H29), C23(H23), C21(H21),
 C22(H22), C15(H15), C30(H30), C34(H34), C35(H35), C36(H36), C54(H54), C9(H9),
 C53(H53), C5(H5), C10(H10), C4(H4), C42(H42), C13(H13)
6.c Idealised Me refined as rotating group:
 C66(H66A,H66B,H66C), C61(H61A,H61B,H61C), C72(H72A,H72B,H72C), C67(H67A,H67B,
 H67C), C73(H73A,H73B,H73C), C78(H78A,H78B,H78C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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 0.57305(2) 0.37159(2) 0.29491(2) 0.01066(7) Uani 1 1 d . U . . .
P1 P 0.57344(7) 0.35893(2) 0.46884(6) 0.01131(17) Uani 1 1 d . U . . .
P2 P 0.48194(7) 0.31993(2) 0.22873(6) 0.01187(17) Uani 1 1 d . U . . .
P3 P 0.52145(7) 0.40994(2) 0.15308(6) 0.01466(18) Uani 1 1 d . U . . .
F1 F 0.85232(15) 0.36128(5) 0.29546(14) 0.0199(4) Uani 1 1 d . U . . .
F2 F 1.04624(16) 0.40096(5) 0.35652(16) 0.0292(5) Uani 1 1 d . U . . .
F3 F 1.02170(16) 0.47010(5) 0.42387(16) 0.0291(5) Uani 1 1 d . U . . .
F4 F 0.79721(15) 0.49745(5) 0.43470(14) 0.0221(4) Uani 1 1 d . U . . .
F5 F 0.60113(14) 0.45760(4) 0.38078(13) 0.0161(4) Uani 1 1 d . U . . .
C27 C 0.3522(3) 0.43453(8) 0.2802(2) 0.0124(6) Uani 1 1 d . U . . .
H27 H 0.4007 0.4220 0.3335 0.015 Uiso 1 1 calc R . . . .
C50 C 0.3289(3) 0.34143(8) 0.4586(2) 0.0155(7) Uani 1 1 d . U . . .
H50 H 0.3194 0.3595 0.4064 0.019 Uiso 1 1 calc R . . . .
C1 C 0.5324(3) 0.27850(8) 0.3006(2) 0.0121(6) Uani 1 1 d . U . . .
C38 C 0.7044(3) 0.33681(8) 0.5414(2) 0.0126(6) Uani 1 1 d . U . . .
C49 C 0.4439(3) 0.33417(8) 0.5093(2) 0.0122(6) Uani 1 1 d . U . . .
C60 C 0.7153(3) 0.40642(8) 0.3412(2) 0.0129(6) Uani 1 1 d . U . . .
C12 C 0.2431(3) 0.34280(9) 0.2092(2) 0.0158(7) Uani 1 1 d . U . . .
H12 H 0.2784 0.3660 0.2174 0.019 Uiso 1 1 calc R . . . .
C28 C 0.2519(3) 0.45327(8) 0.3045(2) 0.0161(7) Uani 1 1 d . U . . .
H28 H 0.2323 0.4536 0.3741 0.019 Uiso 1 1 calc R . . . .
C39 C 0.7266(3) 0.33820(8) 0.6499(2) 0.0156(7) Uani 1 1 d . U . . .
H39 H 0.6701 0.3496 0.6891 0.019 Uiso 1 1 calc R . . . .
C6 C 0.4640(3) 0.26258(8) 0.3725(2) 0.0136(6) Uani 1 1 d . U . . .
H6 H 0.3879 0.2726 0.3834 0.016 Uiso 1 1 calc R . . . .
C2 C 0.6442(3) 0.26315(8) 0.2870(2) 0.0163(7) Uani 1 1 d . U . . .
H2 H 0.6926 0.2736 0.2391 0.020 Uiso 1 1 calc R . . . .
C37 C 0.7879(3) 0.31997(8) 0.4857(2) 0.0138(6) Uani 1 1 d . U . . .
H37 H 0.7735 0.3187 0.4120 0.017 Uiso 1 1 calc R . . . .
C8 C 0.2632(3) 0.27892(9) 0.1939(2) 0.0160(7) Uani 1 1 d . U . . .
H8 H 0.3120 0.2581 0.1905 0.019 Uiso 1 1 calc R . . . .
C55 C 0.8322(3) 0.39477(8) 0.3360(2) 0.0147(7) Uani 1 1 d . U . . .
C3 C 0.6855(3) 0.23273(9) 0.3427(2) 0.0191(7) Uani 1 1 d . U . . .
H3 H 0.7612 0.2225 0.3319 0.023 Uiso 1 1 calc R . . . .
C32 C 0.6279(3) 0.44715(9) 0.1410(2) 0.0194(7) Uani 1 1 d . U . . .
C7 C 0.3172(3) 0.31281(8) 0.2064(2) 0.0124(6) Uani 1 1 d . U . . .
C58 C 0.8097(3) 0.46313(8) 0.4022(2) 0.0166(7) Uani 1 1 d . U . . .
C17 C 0.5386(3) 0.30915(8) 0.1032(2) 0.0151(7) Uani 1 1 d . U . . .
C57 C 0.9234(3) 0.44959(9) 0.3977(2) 0.0189(7) Uani 1 1 d . U . . .
C59 C 0.7097(3) 0.44172(8) 0.3750(2) 0.0137(6) Uani 1 1 d . U . . .
C16 C 0.6511(3) 0.32261(8) 0.0862(2) 0.0186(7) Uani 1 1 d . U . . .
H16 H 0.6934 0.3378 0.1368 0.022 Uiso 1 1 calc R . . . .
C26 C 0.3832(3) 0.43372(9) 0.1791(2) 0.0176(7) Uani 1 1 d . U . . .
C43 C 0.6717(3) 0.41817(8) 0.5846(2) 0.0148(7) Uani 1 1 d . U . . .
H43 H 0.7474 0.4067 0.5810 0.018 Uiso 1 1 calc R . . . .
C56 C 0.9351(3) 0.41476(9) 0.3635(2) 0.0187(7) Uani 1 1 d . U . . .
C51 C 0.2286(3) 0.32266(9) 0.4835(2) 0.0202(7) Uani 1 1 d . U . . .
H51 H 0.1512 0.3280 0.4483 0.024 Uiso 1 1 calc R . . . .
C47 C 0.4561(3) 0.41795(8) 0.5529(2) 0.0162(7) Uani 1 1 d . U . . .
H47 H 0.3827 0.4063 0.5275 0.019 Uiso 1 1 calc R . . . .
C18 C 0.4781(3) 0.28705(8) 0.0280(2) 0.0174(7) Uani 1 1 d . U . . .
H18 H 0.4010 0.2776 0.0381 0.021 Uiso 1 1 calc R . . . .
C11 C 0.1177(3) 0.33930(9) 0.2000(3) 0.0233(8) Uani 1 1 d . U . . .
H11 H 0.0681 0.3601 0.2006 0.028 Uiso 1 1 calc R . . . .
C52 C 0.2402(3) 0.29622(9) 0.5591(3) 0.0209(7) Uani 1 1 d . U . . .
H52 H 0.1714 0.2833 0.5756 0.025 Uiso 1 1 calc R . . . .
C31 C 0.5992(3) 0.48292(9) 0.1535(2) 0.0262(8) Uani 1 1 d . U . . .
H31 H 0.5182 0.4894 0.1611 0.031 Uiso 1 1 calc R . . . .
C46 C 0.4523(3) 0.45166(9) 0.5985(2) 0.0205(7) Uani 1 1 d . U . . .
H46 H 0.3768 0.4630 0.6038 0.025 Uiso 1 1 calc R . . . .
C45 C 0.5587(3) 0.46883(9) 0.6362(3) 0.0225(8) Uani 1 1 d . U . . .
H45 H 0.5565 0.4921 0.6660 0.027 Uiso 1 1 calc R . . . .
C40 C 0.8310(3) 0.32298(8) 0.7006(3) 0.0184(7) Uani 1 1 d . U . . .
H40 H 0.8452 0.3237 0.7743 0.022 Uiso 1 1 calc R . . . .
C41 C 0.9144(3) 0.30669(9) 0.6438(3) 0.0199(7) Uani 1 1 d . U . . .
H41 H 0.9864 0.2967 0.6784 0.024 Uiso 1 1 calc R . . . .
C20 C 0.3850(3) 0.37510(9) -0.0121(2) 0.0250(8) Uani 1 1 d . U . . .
H20 H 0.3378 0.3670 0.0402 0.030 Uiso 1 1 calc R . . . .
C44 C 0.6679(3) 0.45190(8) 0.6302(2) 0.0186(7) Uani 1 1 d . U . . .
H44 H 0.7408 0.4634 0.6574 0.022 Uiso 1 1 calc R . . . .
C33 C 0.7478(3) 0.43823(10) 0.1272(3) 0.0257(8) Uani 1 1 d . U . . .
H33 H 0.7690 0.4138 0.1176 0.031 Uiso 1 1 calc R . . . .
C14 C 0.6415(3) 0.29214(9) -0.0775(3) 0.0235(8) Uani 1 1 d . U . . .
H14 H 0.6766 0.2864 -0.1391 0.028 Uiso 1 1 calc R . . . .
C24 C 0.5512(3) 0.40871(9) -0.0633(2) 0.0240(8) Uani 1 1 d . U . . .
H24 H 0.6189 0.4240 -0.0468 0.029 Uiso 1 1 calc R . . . .
C25 C 0.3106(3) 0.45217(10) 0.1023(3) 0.0300(9) Uani 1 1 d . U . . .
H25 H 0.3299 0.4518 0.0326 0.036 Uiso 1 1 calc R . . . .
C29 C 0.1800(3) 0.47154(9) 0.2273(3) 0.0254(8) Uani 1 1 d . U . . .
H29 H 0.1106 0.4843 0.2436 0.030 Uiso 1 1 calc R . . . .
C23 C 0.5196(3) 0.39804(10) -0.1658(3) 0.0272(8) Uani 1 1 d . U . . .
H23 H 0.5661 0.4061 -0.2185 0.033 Uiso 1 1 calc R . . . .
C21 C 0.3535(3) 0.36476(9) -0.1147(3) 0.0303(9) Uani 1 1 d . U . . .
H21 H 0.2847 0.3500 -0.1320 0.036 Uiso 1 1 calc R . . . .
C22 C 0.4219(3) 0.37591(9) -0.1919(3) 0.0306(9) Uani 1 1 d . U . . .
H22 H 0.4016 0.3684 -0.2618 0.037 Uiso 1 1 calc R . . . .
C15 C 0.7025(3) 0.31419(9) -0.0032(3) 0.0237(8) Uani 1 1 d . U . . .
H15 H 0.7796 0.3235 -0.0136 0.028 Uiso 1 1 calc R . . . .
C30 C 0.2100(3) 0.47110(11) 0.1266(3) 0.0341(9) Uani 1 1 d . U . . .
H30 H 0.1616 0.4838 0.0736 0.041 Uiso 1 1 calc R . . . .
C34 C 0.8349(4) 0.46469(11) 0.1275(3) 0.0360(9) Uani 1 1 d . U . . .
H34 H 0.9155 0.4584 0.1175 0.043 Uiso 1 1 calc R . . . .
C35 C 0.8050(4) 0.50035(12) 0.1423(3) 0.0408(10) Uani 1 1 d . U . . .
H35 H 0.8654 0.5184 0.1435 0.049 Uiso 1 1 calc R . . . .
C36 C 0.6876(4) 0.50969(11) 0.1552(3) 0.0360(9) Uani 1 1 d . U . . .
H36 H 0.6670 0.5341 0.1651 0.043 Uiso 1 1 calc R . . . .
C48 C 0.5655(3) 0.40086(8) 0.5438(2) 0.0141(7) Uani 1 1 d . U . . .
C54 C 0.4548(3) 0.30762(8) 0.5866(2) 0.0151(7) Uani 1 1 d . U . . .
H54 H 0.5318 0.3024 0.6228 0.018 Uiso 1 1 calc R . . . .
C9 C 0.1384(3) 0.27568(9) 0.1864(2) 0.0206(7) Uani 1 1 d . U . . .
H9 H 0.1026 0.2525 0.1785 0.025 Uiso 1 1 calc R . . . .
C53 C 0.3536(3) 0.28882(9) 0.6106(2) 0.0187(7) Uani 1 1 d . U . . .
H53 H 0.3621 0.2707 0.6628 0.022 Uiso 1 1 calc R . . . .
C19 C 0.4841(3) 0.39705(8) 0.0154(2) 0.0169(7) Uani 1 1 d . U . . .
C5 C 0.5059(3) 0.23238(8) 0.4279(2) 0.0181(7) Uani 1 1 d . U . . .
H5 H 0.4581 0.2219 0.4763 0.022 Uiso 1 1 calc R . . . .
C10 C 0.0657(3) 0.30550(9) 0.1902(3) 0.0244(8) Uani 1 1 d . U . . .
H10 H -0.0195 0.3029 0.1860 0.029 Uiso 1 1 calc R . . . .
C4 C 0.6169(3) 0.21724(9) 0.4138(2) 0.0191(7) Uani 1 1 d . U . . .
H4 H 0.6453 0.1966 0.4522 0.023 Uiso 1 1 calc R . . . .
C42 C 0.8927(3) 0.30499(8) 0.5368(3) 0.0197(7) Uani 1 1 d . U . . .
H42 H 0.9493 0.2936 0.4979 0.024 Uiso 1 1 calc R . . . .
C13 C 0.5300(3) 0.27860(9) -0.0622(2) 0.0218(7) Uani 1 1 d . U . . .
H13 H 0.4882 0.2634 -0.1133 0.026 Uiso 1 1 calc R . . . .
C62 C 0.9301(12) 0.4029(5) -0.0884(10) 0.054(2) Uani 0.338(7) 1 d D U P A 1
H62A H 0.8553 0.3910 -0.1198 0.065 Uiso 0.338(7) 1 calc R . P A 1
H62B H 0.9099 0.4278 -0.0699 0.065 Uiso 0.338(7) 1 calc R . P A 1
C65 C 1.0772(14) 0.4289(4) -0.3331(12) 0.057(3) Uani 0.338(7) 1 d D U P A 1
H65A H 1.1534 0.4386 -0.2969 0.068 Uiso 0.338(7) 1 calc R . P A 1
H65B H 1.0499 0.4454 -0.3910 0.068 Uiso 0.338(7) 1 calc R . P A 1
C66 C 1.0998(19) 0.3920(4) -0.3763(17) 0.054(3) Uani 0.338(7) 1 d D U P A 1
H66A H 1.1563 0.3939 -0.4289 0.081 Uiso 0.338(7) 1 calc GR . P A 1
H66B H 1.0233 0.3818 -0.4080 0.081 Uiso 0.338(7) 1 calc GR . P A 1
H66C H 1.1343 0.3763 -0.3198 0.081 Uiso 0.338(7) 1 calc GR . P A 1
C63 C 1.0224(11) 0.4034(4) -0.1658(8) 0.0447(19) Uani 0.338(7) 1 d D U P A 1
H63A H 1.0345 0.3787 -0.1908 0.054 Uiso 0.338(7) 1 calc R . P A 1
H63B H 1.1006 0.4121 -0.1310 0.054 Uiso 0.338(7) 1 calc R . P A 1
C64 C 0.9824(14) 0.4275(5) -0.2577(10) 0.042(2) Uani 0.338(7) 1 d D U P A 1
H64A H 0.9675 0.4520 -0.2326 0.051 Uiso 0.338(7) 1 calc R . P A 1
H64B H 0.9057 0.4182 -0.2942 0.051 Uiso 0.338(7) 1 calc R . P A 1
C61 C 0.9814(13) 0.3824(4) 0.0096(9) 0.051(4) Uani 0.338(7) 1 d D U P A 1
H61A H 0.9973 0.3574 -0.0085 0.077 Uiso 0.338(7) 1 calc GR . P A 1
H61B H 0.9229 0.3830 0.0608 0.077 Uiso 0.338(7) 1 calc GR . P A 1
H61C H 1.0569 0.3938 0.0391 0.077 Uiso 0.338(7) 1 calc GR . P A 1
C70 C 1.0417(9) 0.4014(3) -0.2297(6) 0.0447(19) Uani 0.399(5) 1 d D U P B 2
H70A H 1.1127 0.4126 -0.1892 0.054 Uiso 0.399(5) 1 calc R . P B 2
H70B H 1.0532 0.3750 -0.2281 0.054 Uiso 0.399(5) 1 calc R . P B 2
C68 C 0.9300(10) 0.3943(4) -0.0743(8) 0.054(2) Uani 0.399(5) 1 d D U P B 2
H68A H 0.9412 0.3680 -0.0794 0.065 Uiso 0.399(5) 1 calc R . P B 2
H68B H 0.8517 0.3987 -0.0472 0.065 Uiso 0.399(5) 1 calc R . P B 2
C69 C 0.9282(9) 0.4110(4) -0.1805(6) 0.064(4) Uani 0.399(5) 1 d D U P B 2
H69A H 0.9220 0.4374 -0.1747 0.077 Uiso 0.399(5) 1 calc R . P B 2
H69B H 0.8565 0.4023 -0.2256 0.077 Uiso 0.399(5) 1 calc R . P B 2
C72 C 1.1535(10) 0.4109(4) -0.3831(10) 0.054(3) Uani 0.399(5) 1 d D U P B 2
H72A H 1.1451 0.4179 -0.4565 0.081 Uiso 0.399(5) 1 calc GR . P B 2
H72B H 1.1808 0.3858 -0.3765 0.081 Uiso 0.399(5) 1 calc GR . P B 2
H72C H 1.2128 0.4265 -0.3436 0.081 Uiso 0.399(5) 1 calc GR . P B 2
C71 C 1.0324(10) 0.4145(4) -0.3407(8) 0.057(3) Uani 0.399(5) 1 d D U P B 2
H71A H 1.0068 0.4400 -0.3438 0.068 Uiso 0.399(5) 1 calc R . P B 2
H71B H 0.9708 0.4003 -0.3840 0.068 Uiso 0.399(5) 1 calc R . P B 2
C67 C 1.0314(13) 0.4101(5) 0.0002(9) 0.081(4) Uani 0.399(5) 1 d D U P B 2
H67A H 1.1090 0.4006 -0.0164 0.121 Uiso 0.399(5) 1 calc GR . P B 2
H67B H 1.0194 0.4036 0.0717 0.121 Uiso 0.399(5) 1 calc GR . P B 2
H67C H 1.0312 0.4364 -0.0067 0.121 Uiso 0.399(5) 1 calc GR . P B 2
C73 C 0.9362(18) 0.3765(6) -0.0364(17) 0.054(2) Uani 0.253(6) 1 d D U P C 3
H73A H 0.8652 0.3837 -0.0833 0.081 Uiso 0.253(6) 1 calc GR . P C 3
H73B H 0.9171 0.3774 0.0357 0.081 Uiso 0.253(6) 1 calc GR . P C 3
H73C H 0.9594 0.3519 -0.0531 0.081 Uiso 0.253(6) 1 calc GR . P C 3
C74 C 1.0412(18) 0.4022(7) -0.0496(10) 0.081(4) Uani 0.253(6) 1 d D U P C 3
H74A H 1.0183 0.4267 -0.0294 0.097 Uiso 0.253(6) 1 calc R . P C 3
H74B H 1.1123 0.3947 -0.0017 0.097 Uiso 0.253(6) 1 calc R . P C 3
C75 C 1.0769(13) 0.4034(5) -0.1603(10) 0.0447(19) Uani 0.253(6) 1 d D U P C 3
H75A H 1.0912 0.3785 -0.1835 0.054 Uiso 0.253(6) 1 calc R . P C 3
H75B H 1.1538 0.4168 -0.1597 0.054 Uiso 0.253(6) 1 calc R . P C 3
C76 C 0.9815(17) 0.4211(8) -0.2388(12) 0.042(2) Uani 0.253(6) 1 d D U P C 3
H76A H 0.9149 0.4038 -0.2571 0.051 Uiso 0.253(6) 1 calc R . P C 3
H76B H 0.9473 0.4422 -0.2056 0.051 Uiso 0.253(6) 1 calc R . P C 3
C77 C 1.0314(19) 0.4334(5) -0.3386(14) 0.057(3) Uani 0.253(6) 1 d D U P C 3
H77A H 1.0880 0.4536 -0.3219 0.068 Uiso 0.253(6) 1 calc R . P C 3
H77B H 0.9639 0.4423 -0.3881 0.068 Uiso 0.253(6) 1 calc R . P C 3
C78 C 1.098(3) 0.4032(6) -0.391(2) 0.054(3) Uani 0.253(6) 1 d D U P C 3
H78A H 1.0384 0.3865 -0.4259 0.081 Uiso 0.253(6) 1 calc GR . P C 3
H78B H 1.1511 0.3903 -0.3385 0.081 Uiso 0.253(6) 1 calc GR . P C 3
H78C H 1.1456 0.4138 -0.4426 0.081 Uiso 0.253(6) 1 calc GR . P C 3


_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 2.2984(8) . ?
Rh1 P2 2.2934(8) . ?
Rh1 P3 2.3446(8) . ?
Rh1 C60 2.083(3) . ?
P1 C38 1.838(3) . ?
P1 C49 1.836(3) . ?
P1 C48 1.844(3) . ?
P2 C1 1.854(3) . ?
P2 C7 1.845(3) . ?
P2 C17 1.851(3) . ?
P3 C32 1.840(3) . ?
P3 C26 1.839(3) . ?
P3 C19 1.847(3) . ?
F1 C55 1.379(3) . ?
F2 C56 1.353(3) . ?
F3 C57 1.346(3) . ?
F4 C58 1.356(3) . ?
F5 C59 1.355(3) . ?
C27 H27 0.9500 . ?
C27 C28 1.382(4) . ?
C27 C26 1.390(4) . ?
C50 H50 0.9500 . ?
C50 C49 1.399(4) . ?
C50 C51 1.385(4) . ?
C1 C6 1.398(4) . ?
C1 C2 1.399(4) . ?
C38 C39 1.400(4) . ?
C38 C37 1.388(4) . ?
C49 C54 1.401(4) . ?
C60 C55 1.381(4) . ?
C60 C59 1.387(4) . ?
C12 H12 0.9500 . ?
C12 C7 1.390(4) . ?
C12 C11 1.395(4) . ?
C28 H28 0.9500 . ?
C28 C29 1.387(4) . ?
C39 H39 0.9500 . ?
C39 C40 1.390(4) . ?
C6 H6 0.9500 . ?
C6 C5 1.386(4) . ?
C2 H2 0.9500 . ?
C2 C3 1.392(4) . ?
C37 H37 0.9500 . ?
C37 C42 1.392(4) . ?
C8 H8 0.9500 . ?
C8 C7 1.398(4) . ?
C8 C9 1.388(4) . ?
C55 C56 1.379(4) . ?
C3 H3 0.9500 . ?
C3 C4 1.385(4) . ?
C32 C31 1.381(5) . ?
C32 C33 1.407(5) . ?
C58 C57 1.371(4) . ?
C58 C59 1.382(4) . ?
C17 C16 1.390(4) . ?
C17 C18 1.389(4) . ?
C57 C56 1.379(4) . ?
C16 H16 0.9500 . ?
C16 C15 1.382(4) . ?
C26 C25 1.390(4) . ?
C43 H43 0.9500 . ?
C43 C44 1.389(4) . ?
C43 C48 1.397(4) . ?
C51 H51 0.9500 . ?
C51 C52 1.383(5) . ?
C47 H47 0.9500 . ?
C47 C46 1.388(4) . ?
C47 C48 1.391(4) . ?
C18 H18 0.9500 . ?
C18 C13 1.395(4) . ?
C11 H11 0.9500 . ?
C11 C10 1.384(5) . ?
C52 H52 0.9500 . ?
C52 C53 1.389(4) . ?
C31 H31 0.9500 . ?
C31 C36 1.399(5) . ?
C46 H46 0.9500 . ?
C46 C45 1.387(5) . ?
C45 H45 0.9500 . ?
C45 C44 1.379(4) . ?
C40 H40 0.9500 . ?
C40 C41 1.387(4) . ?
C41 H41 0.9500 . ?
C41 C42 1.379(4) . ?
C20 H20 0.9500 . ?
C20 C21 1.389(5) . ?
C20 C19 1.387(5) . ?
C44 H44 0.9500 . ?
C33 H33 0.9500 . ?
C33 C34 1.382(5) . ?
C14 H14 0.9500 . ?
C14 C15 1.383(5) . ?
C14 C13 1.375(5) . ?
C24 H24 0.9500 . ?
C24 C23 1.391(5) . ?
C24 C19 1.398(4) . ?
C25 H25 0.9500 . ?
C25 C30 1.388(5) . ?
C29 H29 0.9500 . ?
C29 C30 1.382(5) . ?
C23 H23 0.9500 . ?
C23 C22 1.376(5) . ?
C21 H21 0.9500 . ?
C21 C22 1.385(5) . ?
C22 H22 0.9500 . ?
C15 H15 0.9500 . ?
C30 H30 0.9500 . ?
C34 H34 0.9500 . ?
C34 C35 1.386(6) . ?
C35 H35 0.9500 . ?
C35 C36 1.381(6) . ?
C36 H36 0.9500 . ?
C54 H54 0.9500 . ?
C54 C53 1.391(4) . ?
C9 H9 0.9500 . ?
C9 C10 1.378(5) . ?
C53 H53 0.9500 . ?
C5 H5 0.9500 . ?
C5 C4 1.389(4) . ?
C10 H10 0.9500 . ?
C4 H4 0.9500 . ?
C42 H42 0.9500 . ?
C13 H13 0.9500 . ?
C62 H62A 0.9900 . ?
C62 H62B 0.9900 . ?
C62 C63 1.513(10) . ?
C62 C61 1.533(8) . ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C65 C66 1.516(10) . ?
C65 C64 1.516(9) . ?
C66 H66A 0.9800 . ?
C66 H66B 0.9800 . ?
C66 H66C 0.9800 . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C63 C64 1.515(9) . ?
C64 H64A 0.9900 . ?
C64 H64B 0.9900 . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C70 H70A 0.9900 . ?
C70 H70B 0.9900 . ?
C70 C69 1.518(9) . ?
C70 C71 1.510(9) . ?
C68 H68A 0.9900 . ?
C68 H68B 0.9900 . ?
C68 C69 1.504(9) . ?
C68 C67 1.519(7) . ?
C69 H69A 0.9900 . ?
C69 H69B 0.9900 . ?
C72 H72A 0.9800 . ?
C72 H72B 0.9800 . ?
C72 H72C 0.9800 . ?
C72 C71 1.518(9) . ?
C71 H71A 0.9900 . ?
C71 H71B 0.9900 . ?
C67 H67A 0.9800 . ?
C67 H67B 0.9800 . ?
C67 H67C 0.9800 . ?
C73 H73A 0.9800 . ?
C73 H73B 0.9800 . ?
C73 H73C 0.9800 . ?
C73 C74 1.534(7) . ?
C74 H74A 0.9900 . ?
C74 H74B 0.9900 . ?
C74 C75 1.528(7) . ?
C75 H75A 0.9900 . ?
C75 H75B 0.9900 . ?
C75 C76 1.536(9) . ?
C76 H76A 0.9900 . ?
C76 H76B 0.9900 . ?
C76 C77 1.531(9) . ?
C77 H77A 0.9900 . ?
C77 H77B 0.9900 . ?
C77 C78 1.542(7) . ?
C78 H78A 0.9800 . ?
C78 H78B 0.9800 . ?
C78 H78C 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 P3 149.82(3) . . ?
P2 Rh1 P1 98.43(3) . . ?
P2 Rh1 P3 99.06(3) . . ?
C60 Rh1 P1 85.84(8) . . ?
C60 Rh1 P2 156.83(8) . . ?
C60 Rh1 P3 87.66(8) . . ?
C38 P1 Rh1 120.42(10) . . ?
C38 P1 C48 101.02(14) . . ?
C49 P1 Rh1 117.74(10) . . ?
C49 P1 C38 103.56(14) . . ?
C49 P1 C48 100.89(13) . . ?
C48 P1 Rh1 110.31(10) . . ?
C1 P2 Rh1 114.33(9) . . ?
C7 P2 Rh1 124.74(10) . . ?
C7 P2 C1 101.53(13) . . ?
C7 P2 C17 105.19(14) . . ?
C17 P2 Rh1 109.21(10) . . ?
C17 P2 C1 98.40(13) . . ?
C32 P3 Rh1 114.80(11) . . ?
C32 P3 C19 101.05(14) . . ?
C26 P3 Rh1 106.66(10) . . ?
C26 P3 C32 102.40(15) . . ?
C26 P3 C19 101.40(14) . . ?
C19 P3 Rh1 127.32(11) . . ?
C28 C27 H27 119.4 . . ?
C28 C27 C26 121.1(3) . . ?
C26 C27 H27 119.4 . . ?
C49 C50 H50 119.5 . . ?
C51 C50 H50 119.5 . . ?
C51 C50 C49 121.0(3) . . ?
C6 C1 P2 121.9(2) . . ?
C6 C1 C2 118.0(3) . . ?
C2 C1 P2 120.0(2) . . ?
C39 C38 P1 122.5(2) . . ?
C37 C38 P1 118.5(2) . . ?
C37 C38 C39 118.9(3) . . ?
C50 C49 P1 118.6(2) . . ?
C50 C49 C54 118.2(3) . . ?
C54 C49 P1 123.2(2) . . ?
C55 C60 Rh1 118.9(2) . . ?
C55 C60 C59 112.8(3) . . ?
C59 C60 Rh1 128.3(2) . . ?
C7 C12 H12 119.5 . . ?
C7 C12 C11 121.0(3) . . ?
C11 C12 H12 119.5 . . ?
C27 C28 H28 120.0 . . ?
C27 C28 C29 120.0(3) . . ?
C29 C28 H28 120.0 . . ?
C38 C39 H39 119.9 . . ?
C40 C39 C38 120.2(3) . . ?
C40 C39 H39 119.9 . . ?
C1 C6 H6 119.7 . . ?
C5 C6 C1 120.7(3) . . ?
C5 C6 H6 119.7 . . ?
C1 C2 H2 119.5 . . ?
C3 C2 C1 120.9(3) . . ?
C3 C2 H2 119.5 . . ?
C38 C37 H37 119.7 . . ?
C38 C37 C42 120.6(3) . . ?
C42 C37 H37 119.7 . . ?
C7 C8 H8 120.0 . . ?
C9 C8 H8 120.0 . . ?
C9 C8 C7 120.1(3) . . ?
F1 C55 C60 119.7(3) . . ?
C56 C55 F1 114.8(3) . . ?
C56 C55 C60 125.4(3) . . ?
C2 C3 H3 119.8 . . ?
C4 C3 C2 120.5(3) . . ?
C4 C3 H3 119.8 . . ?
C31 C32 P3 123.7(3) . . ?
C31 C32 C33 118.5(3) . . ?
C33 C32 P3 117.6(3) . . ?
C12 C7 P2 117.6(2) . . ?
C12 C7 C8 118.5(3) . . ?
C8 C7 P2 123.7(2) . . ?
F4 C58 C57 119.1(3) . . ?
F4 C58 C59 120.9(3) . . ?
C57 C58 C59 120.0(3) . . ?
C16 C17 P2 117.5(2) . . ?
C18 C17 P2 123.8(2) . . ?
C18 C17 C16 118.6(3) . . ?
F3 C57 C58 120.7(3) . . ?
F3 C57 C56 120.6(3) . . ?
C58 C57 C56 118.6(3) . . ?
F5 C59 C60 120.1(3) . . ?
F5 C59 C58 115.7(3) . . ?
C58 C59 C60 124.2(3) . . ?
C17 C16 H16 119.5 . . ?
C15 C16 C17 121.0(3) . . ?
C15 C16 H16 119.5 . . ?
C27 C26 P3 118.9(2) . . ?
C25 C26 P3 122.6(2) . . ?
C25 C26 C27 118.4(3) . . ?
C44 C43 H43 119.6 . . ?
C44 C43 C48 120.8(3) . . ?
C48 C43 H43 119.6 . . ?
F2 C56 C55 121.3(3) . . ?
F2 C56 C57 119.8(3) . . ?
C55 C56 C57 118.9(3) . . ?
C50 C51 H51 119.7 . . ?
C52 C51 C50 120.5(3) . . ?
C52 C51 H51 119.7 . . ?
C46 C47 H47 119.4 . . ?
C46 C47 C48 121.1(3) . . ?
C48 C47 H47 119.4 . . ?
C17 C18 H18 119.8 . . ?
C17 C18 C13 120.3(3) . . ?
C13 C18 H18 119.8 . . ?
C12 C11 H11 120.1 . . ?
C10 C11 C12 119.9(3) . . ?
C10 C11 H11 120.1 . . ?
C51 C52 H52 120.4 . . ?
C51 C52 C53 119.3(3) . . ?
C53 C52 H52 120.4 . . ?
C32 C31 H31 119.5 . . ?
C32 C31 C36 121.0(4) . . ?
C36 C31 H31 119.5 . . ?
C47 C46 H46 120.0 . . ?
C45 C46 C47 120.0(3) . . ?
C45 C46 H46 120.0 . . ?
C46 C45 H45 120.2 . . ?
C44 C45 C46 119.7(3) . . ?
C44 C45 H45 120.2 . . ?
C39 C40 H40 119.9 . . ?
C41 C40 C39 120.2(3) . . ?
C41 C40 H40 119.9 . . ?
C40 C41 H41 120.1 . . ?
C42 C41 C40 119.9(3) . . ?
C42 C41 H41 120.1 . . ?
C21 C20 H20 119.5 . . ?
C19 C20 H20 119.5 . . ?
C19 C20 C21 121.1(3) . . ?
C43 C44 H44 119.8 . . ?
C45 C44 C43 120.3(3) . . ?
C45 C44 H44 119.8 . . ?
C32 C33 H33 119.7 . . ?
C34 C33 C32 120.6(4) . . ?
C34 C33 H33 119.7 . . ?
C15 C14 H14 120.0 . . ?
C13 C14 H14 120.0 . . ?
C13 C14 C15 119.9(3) . . ?
C23 C24 H24 119.8 . . ?
C23 C24 C19 120.4(3) . . ?
C19 C24 H24 119.8 . . ?
C26 C25 H25 119.7 . . ?
C30 C25 C26 120.6(3) . . ?
C30 C25 H25 119.7 . . ?
C28 C29 H29 120.3 . . ?
C30 C29 C28 119.5(3) . . ?
C30 C29 H29 120.3 . . ?
C24 C23 H23 119.5 . . ?
C22 C23 C24 120.9(3) . . ?
C22 C23 H23 119.5 . . ?
C20 C21 H21 119.8 . . ?
C22 C21 C20 120.4(3) . . ?
C22 C21 H21 119.8 . . ?
C23 C22 C21 119.1(3) . . ?
C23 C22 H22 120.5 . . ?
C21 C22 H22 120.5 . . ?
C16 C15 C14 120.0(3) . . ?
C16 C15 H15 120.0 . . ?
C14 C15 H15 120.0 . . ?
C25 C30 H30 119.8 . . ?
C29 C30 C25 120.4(3) . . ?
C29 C30 H30 119.8 . . ?
C33 C34 H34 119.9 . . ?
C33 C34 C35 120.1(4) . . ?
C35 C34 H34 119.9 . . ?
C34 C35 H35 119.9 . . ?
C36 C35 C34 120.2(4) . . ?
C36 C35 H35 119.9 . . ?
C31 C36 H36 120.2 . . ?
C35 C36 C31 119.6(4) . . ?
C35 C36 H36 120.2 . . ?
C43 C48 P1 120.0(2) . . ?
C47 C48 P1 121.6(2) . . ?
C47 C48 C43 118.1(3) . . ?
C49 C54 H54 119.8 . . ?
C53 C54 C49 120.4(3) . . ?
C53 C54 H54 119.8 . . ?
C8 C9 H9 119.5 . . ?
C10 C9 C8 121.1(3) . . ?
C10 C9 H9 119.5 . . ?
C52 C53 C54 120.6(3) . . ?
C52 C53 H53 119.7 . . ?
C54 C53 H53 119.7 . . ?
C20 C19 P3 119.1(2) . . ?
C20 C19 C24 118.1(3) . . ?
C24 C19 P3 122.7(3) . . ?
C6 C5 H5 119.5 . . ?
C6 C5 C4 121.0(3) . . ?
C4 C5 H5 119.5 . . ?
C11 C10 H10 120.3 . . ?
C9 C10 C11 119.5(3) . . ?
C9 C10 H10 120.3 . . ?
C3 C4 C5 118.9(3) . . ?
C3 C4 H4 120.5 . . ?
C5 C4 H4 120.5 . . ?
C37 C42 H42 119.9 . . ?
C41 C42 C37 120.2(3) . . ?
C41 C42 H42 119.9 . . ?
C18 C13 H13 119.9 . . ?
C14 C13 C18 120.2(3) . . ?
C14 C13 H13 119.9 . . ?
H62A C62 H62B 108.2 . . ?
C63 C62 H62A 109.7 . . ?
C63 C62 H62B 109.7 . . ?
C63 C62 C61 109.6(9) . . ?
C61 C62 H62A 109.7 . . ?
C61 C62 H62B 109.7 . . ?
H65A C65 H65B 108.0 . . ?
C66 C65 H65A 109.4 . . ?
C66 C65 H65B 109.4 . . ?
C64 C65 H65A 109.4 . . ?
C64 C65 H65B 109.4 . . ?
C64 C65 C66 111.1(9) . . ?
C65 C66 H66A 109.5 . . ?
C65 C66 H66B 109.5 . . ?
C65 C66 H66C 109.5 . . ?
H66A C66 H66B 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
C62 C63 H63A 109.3 . . ?
C62 C63 H63B 109.3 . . ?
C62 C63 C64 111.4(9) . . ?
H63A C63 H63B 108.0 . . ?
C64 C63 H63A 109.3 . . ?
C64 C63 H63B 109.3 . . ?
C65 C64 H64A 109.4 . . ?
C65 C64 H64B 109.4 . . ?
C63 C64 C65 111.1(8) . . ?
C63 C64 H64A 109.4 . . ?
C63 C64 H64B 109.4 . . ?
H64A C64 H64B 108.0 . . ?
C62 C61 H61A 109.5 . . ?
C62 C61 H61B 109.5 . . ?
C62 C61 H61C 109.5 . . ?
H61A C61 H61B 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
H70A C70 H70B 108.1 . . ?
C69 C70 H70A 109.5 . . ?
C69 C70 H70B 109.5 . . ?
C71 C70 H70A 109.5 . . ?
C71 C70 H70B 109.5 . . ?
C71 C70 C69 110.6(8) . . ?
H68A C68 H68B 108.1 . . ?
C69 C68 H68A 109.5 . . ?
C69 C68 H68B 109.5 . . ?
C69 C68 C67 110.7(8) . . ?
C67 C68 H68A 109.5 . . ?
C67 C68 H68B 109.5 . . ?
C70 C69 H69A 109.4 . . ?
C70 C69 H69B 109.4 . . ?
C68 C69 C70 111.1(8) . . ?
C68 C69 H69A 109.4 . . ?
C68 C69 H69B 109.4 . . ?
H69A C69 H69B 108.0 . . ?
H72A C72 H72B 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
C71 C72 H72A 109.5 . . ?
C71 C72 H72B 109.5 . . ?
C71 C72 H72C 109.5 . . ?
C70 C71 C72 110.2(9) . . ?
C70 C71 H71A 109.6 . . ?
C70 C71 H71B 109.6 . . ?
C72 C71 H71A 109.6 . . ?
C72 C71 H71B 109.6 . . ?
H71A C71 H71B 108.1 . . ?
C68 C67 H67A 109.5 . . ?
C68 C67 H67B 109.5 . . ?
C68 C67 H67C 109.5 . . ?
H67A C67 H67B 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
H73A C73 H73B 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?
C74 C73 H73A 109.5 . . ?
C74 C73 H73B 109.5 . . ?
C74 C73 H73C 109.5 . . ?
C73 C74 H74A 108.8 . . ?
C73 C74 H74B 108.8 . . ?
H74A C74 H74B 107.7 . . ?
C75 C74 C73 113.8(9) . . ?
C75 C74 H74A 108.8 . . ?
C75 C74 H74B 108.8 . . ?
C74 C75 H75A 108.9 . . ?
C74 C75 H75B 108.9 . . ?
C74 C75 C76 113.5(9) . . ?
H75A C75 H75B 107.7 . . ?
C76 C75 H75A 108.9 . . ?
C76 C75 H75B 108.9 . . ?
C75 C76 H76A 108.9 . . ?
C75 C76 H76B 108.9 . . ?
H76A C76 H76B 107.7 . . ?
C77 C76 C75 113.3(9) . . ?
C77 C76 H76A 108.9 . . ?
C77 C76 H76B 108.9 . . ?
C76 C77 H77A 108.9 . . ?
C76 C77 H77B 108.9 . . ?
C76 C77 C78 113.2(9) . . ?
H77A C77 H77B 107.8 . . ?
C78 C77 H77A 108.9 . . ?
C78 C77 H77B 108.9 . . ?
C77 C78 H78A 109.5 . . ?
C77 C78 H78B 109.5 . . ?
C77 C78 H78C 109.5 . . ?
H78A C78 H78B 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 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 C38 C39 160.0(2) . . . . ?
Rh1 P1 C38 C37 -16.0(3) . . . . ?
Rh1 P1 C49 C50 -36.8(3) . . . . ?
Rh1 P1 C49 C54 141.4(2) . . . . ?
Rh1 P1 C48 C43 -90.8(2) . . . . ?
Rh1 P1 C48 C47 82.9(3) . . . . ?
Rh1 P2 C1 C6 100.4(2) . . . . ?
Rh1 P2 C1 C2 -76.7(2) . . . . ?
Rh1 P2 C7 C12 14.0(3) . . . . ?
Rh1 P2 C7 C8 -161.7(2) . . . . ?
Rh1 P2 C17 C16 24.1(3) . . . . ?
Rh1 P2 C17 C18 -159.3(2) . . . . ?
Rh1 P3 C32 C31 -113.5(3) . . . . ?
Rh1 P3 C32 C33 60.8(3) . . . . ?
Rh1 P3 C26 C27 18.1(3) . . . . ?
Rh1 P3 C26 C25 -164.5(3) . . . . ?
Rh1 P3 C19 C20 61.3(3) . . . . ?
Rh1 P3 C19 C24 -119.2(2) . . . . ?
Rh1 C60 C55 F1 3.4(4) . . . . ?
Rh1 C60 C55 C56 179.8(2) . . . . ?
Rh1 C60 C59 F5 -0.1(4) . . . . ?
Rh1 C60 C59 C58 -178.6(2) . . . . ?
P1 C38 C39 C40 -175.9(2) . . . . ?
P1 C38 C37 C42 175.6(2) . . . . ?
P1 C49 C54 C53 -177.4(2) . . . . ?
P2 C1 C6 C5 -177.6(2) . . . . ?
P2 C1 C2 C3 177.9(2) . . . . ?
P2 C17 C16 C15 176.6(3) . . . . ?
P2 C17 C18 C13 -176.4(2) . . . . ?
P3 C32 C31 C36 172.7(3) . . . . ?
P3 C32 C33 C34 -173.8(3) . . . . ?
P3 C26 C25 C30 -177.0(3) . . . . ?
F1 C55 C56 F2 -4.0(4) . . . . ?
F1 C55 C56 C57 175.3(3) . . . . ?
F3 C57 C56 F2 0.3(5) . . . . ?
F3 C57 C56 C55 -179.1(3) . . . . ?
F4 C58 C57 F3 -0.9(5) . . . . ?
F4 C58 C57 C56 -179.4(3) . . . . ?
F4 C58 C59 F5 1.5(4) . . . . ?
F4 C58 C59 C60 -179.9(3) . . . . ?
C27 C28 C29 C30 -0.6(5) . . . . ?
C27 C26 C25 C30 0.4(5) . . . . ?
C50 C49 C54 C53 0.9(4) . . . . ?
C50 C51 C52 C53 0.5(5) . . . . ?
C1 P2 C7 C12 144.7(2) . . . . ?
C1 P2 C7 C8 -30.9(3) . . . . ?
C1 P2 C17 C16 -95.4(3) . . . . ?
C1 P2 C17 C18 81.2(3) . . . . ?
C1 C6 C5 C4 0.2(5) . . . . ?
C1 C2 C3 C4 -0.7(5) . . . . ?
C38 P1 C49 C50 -172.5(2) . . . . ?
C38 P1 C49 C54 5.7(3) . . . . ?
C38 P1 C48 C43 37.7(3) . . . . ?
C38 P1 C48 C47 -148.7(3) . . . . ?
C38 C39 C40 C41 0.7(5) . . . . ?
C38 C37 C42 C41 0.1(5) . . . . ?
C49 P1 C38 C39 -65.8(3) . . . . ?
C49 P1 C38 C37 118.2(2) . . . . ?
C49 P1 C48 C43 144.0(2) . . . . ?
C49 P1 C48 C47 -42.3(3) . . . . ?
C49 C50 C51 C52 -0.1(5) . . . . ?
C49 C54 C53 C52 -0.5(5) . . . . ?
C60 C55 C56 F2 179.5(3) . . . . ?
C60 C55 C56 C57 -1.2(5) . . . . ?
C12 C11 C10 C9 -1.9(5) . . . . ?
C28 C27 C26 P3 177.3(2) . . . . ?
C28 C27 C26 C25 -0.2(5) . . . . ?
C28 C29 C30 C25 0.8(6) . . . . ?
C39 C38 C37 C42 -0.6(4) . . . . ?
C39 C40 C41 C42 -1.2(5) . . . . ?
C6 C1 C2 C3 0.6(4) . . . . ?
C6 C5 C4 C3 -0.2(5) . . . . ?
C2 C1 C6 C5 -0.3(4) . . . . ?
C2 C3 C4 C5 0.5(5) . . . . ?
C37 C38 C39 C40 0.2(4) . . . . ?
C8 C9 C10 C11 1.0(5) . . . . ?
C55 C60 C59 F5 177.7(3) . . . . ?
C55 C60 C59 C58 -0.8(4) . . . . ?
C32 P3 C26 C27 -102.8(3) . . . . ?
C32 P3 C26 C25 74.6(3) . . . . ?
C32 P3 C19 C20 -165.4(3) . . . . ?
C32 P3 C19 C24 14.1(3) . . . . ?
C32 C31 C36 C35 1.2(5) . . . . ?
C32 C33 C34 C35 0.5(5) . . . . ?
C7 P2 C1 C6 -36.5(3) . . . . ?
C7 P2 C1 C2 146.3(2) . . . . ?
C7 P2 C17 C16 160.2(2) . . . . ?
C7 P2 C17 C18 -23.2(3) . . . . ?
C7 C12 C11 C10 1.3(5) . . . . ?
C7 C8 C9 C10 0.6(5) . . . . ?
C58 C57 C56 F2 178.8(3) . . . . ?
C58 C57 C56 C55 -0.5(5) . . . . ?
C17 P2 C1 C6 -144.0(3) . . . . ?
C17 P2 C1 C2 38.8(3) . . . . ?
C17 P2 C7 C12 -113.1(2) . . . . ?
C17 P2 C7 C8 71.2(3) . . . . ?
C17 C16 C15 C14 0.2(5) . . . . ?
C17 C18 C13 C14 -0.1(5) . . . . ?
C57 C58 C59 F5 -179.3(3) . . . . ?
C57 C58 C59 C60 -0.8(5) . . . . ?
C59 C60 C55 F1 -174.6(2) . . . . ?
C59 C60 C55 C56 1.8(5) . . . . ?
C59 C58 C57 F3 180.0(3) . . . . ?
C59 C58 C57 C56 1.4(5) . . . . ?
C16 C17 C18 C13 0.2(5) . . . . ?
C26 P3 C32 C31 1.6(3) . . . . ?
C26 P3 C32 C33 176.0(2) . . . . ?
C26 P3 C19 C20 -60.2(3) . . . . ?
C26 P3 C19 C24 119.3(3) . . . . ?
C26 C27 C28 C29 0.3(5) . . . . ?
C26 C25 C30 C29 -0.7(6) . . . . ?
C51 C50 C49 P1 177.7(2) . . . . ?
C51 C50 C49 C54 -0.6(4) . . . . ?
C51 C52 C53 C54 -0.2(5) . . . . ?
C47 C46 C45 C44 -1.4(5) . . . . ?
C18 C17 C16 C15 -0.2(5) . . . . ?
C11 C12 C7 P2 -175.7(2) . . . . ?
C11 C12 C7 C8 0.2(4) . . . . ?
C31 C32 C33 C34 0.8(5) . . . . ?
C46 C47 C48 P1 -172.0(2) . . . . ?
C46 C47 C48 C43 1.8(4) . . . . ?
C46 C45 C44 C43 1.4(5) . . . . ?
C40 C41 C42 C37 0.8(5) . . . . ?
C20 C21 C22 C23 -1.5(5) . . . . ?
C44 C43 C48 P1 172.1(2) . . . . ?
C44 C43 C48 C47 -1.7(4) . . . . ?
C33 C32 C31 C36 -1.7(5) . . . . ?
C33 C34 C35 C36 -1.0(6) . . . . ?
C24 C23 C22 C21 1.1(5) . . . . ?
C23 C24 C19 P3 179.6(3) . . . . ?
C23 C24 C19 C20 -0.8(5) . . . . ?
C21 C20 C19 P3 179.9(3) . . . . ?
C21 C20 C19 C24 0.4(5) . . . . ?
C15 C14 C13 C18 0.0(5) . . . . ?
C34 C35 C36 C31 0.2(5) . . . . ?
C48 P1 C38 C39 38.4(3) . . . . ?
C48 P1 C38 C37 -137.6(2) . . . . ?
C48 P1 C49 C50 83.2(3) . . . . ?
C48 P1 C49 C54 -98.5(3) . . . . ?
C48 C43 C44 C45 0.2(5) . . . . ?
C48 C47 C46 C45 -0.2(5) . . . . ?
C9 C8 C7 P2 174.5(2) . . . . ?
C9 C8 C7 C12 -1.1(4) . . . . ?
C19 P3 C32 C31 106.1(3) . . . . ?
C19 P3 C32 C33 -79.6(3) . . . . ?
C19 P3 C26 C27 153.0(3) . . . . ?
C19 P3 C26 C25 -29.5(3) . . . . ?
C19 C20 C21 C22 0.8(5) . . . . ?
C19 C24 C23 C22 0.1(5) . . . . ?
C13 C14 C15 C16 -0.1(5) . . . . ?
C62 C63 C64 C65 178.0(15) . . . . ?
C66 C65 C64 C63 61(2) . . . . ?
C61 C62 C63 C64 -172.5(16) . . . . ?
C69 C70 C71 C72 170.1(11) . . . . ?
C71 C70 C69 C68 173.3(11) . . . . ?
C67 C68 C69 C70 65.1(15) . . . . ?
C73 C74 C75 C76 69(2) . . . . ?
C74 C75 C76 C77 161.3(19) . . . . ?
C75 C76 C77 C78 53(3) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_mo_jl148_0m_a
_database_code_depnum_ccdc_archive 'CCDC 1413655'
_audit_update_record             
;
2015-07-19 deposited with the CCDC.
2015-08-10 downloaded from the CCDC.
;
_audit_creation_date             2015-07-17
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3151 for OlexSys, GUI svn.r4998)
;
_chemical_name_common            ?
_chemical_name_systematic        
bicyclo[2.2.1]hepta-2,5-dienetricyclohexylphosphinepentafluorophenylrhodium
_chemical_formula_moiety         'C31 H41 F5 P Rh'
_chemical_formula_sum            'C31 H41 F5 P Rh'
_chemical_formula_weight         642.52
_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 0.0033 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'
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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   11.6503(12)
_cell_length_b                   20.980(2)
_cell_length_c                   11.7247(13)
_cell_angle_alpha                90
_cell_angle_beta                 91.257(2)
_cell_angle_gamma                90
_cell_volume                     2865.2(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    ?
_cell_measurement_temperature    90
_cell_measurement_theta_max      ?
_cell_measurement_theta_min      ?
_shelx_estimated_absorpt_T_max   0.952
_shelx_estimated_absorpt_T_min   0.766
_exptl_absorpt_coefficient_mu    0.704
_exptl_absorpt_correction_T_max  0.9519
_exptl_absorpt_correction_T_min  0.7842
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014) was used for absorption correction.
wR2(int) was 0.0554 before and 0.0422 after correction.
The Ratio of minimum to maximum transmission is 0.8238.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear red'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.490
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             1328
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.07
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0326
_diffrn_reflns_av_unetI/netI     0.0247
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            35522
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         30.559
_diffrn_reflns_theta_min         1.941
_diffrn_ambient_temperature      90
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker Apex Duo II'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7918
_reflns_number_total             8756
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'SIR2004 (Burla et al., 2007)'
_refine_diff_density_max         2.689
_refine_diff_density_min         -0.960
_refine_diff_density_rms         0.107
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     343
_refine_ls_number_reflns         8756
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0400
_refine_ls_R_factor_gt           0.0355
_refine_ls_restrained_S_all      1.054
_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)+(0.0383P)²+5.4799P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0891
_refine_ls_wR_factor_ref         0.0927
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Ternary CH refined with riding coordinates:
 C14(H14), C20(H20), C26(H26), C10(H10), C11(H11), C8(H8), C9(H9), C12(H12),
 C7(H7)
2.b Secondary CH2 refined with riding coordinates:
 C21(H21A,H21B), C25(H25A,H25B), C19(H19A,H19B), C15(H15A,H15B), C27(H27A,
 H27B), C16(H16A,H16B), C22(H22A,H22B), C31(H31A,H31B), C24(H24A,H24B),
 C17(H17A,H17B), C30(H30A,H30B), C23(H23A,H23B), C18(H18A,H18B), C29(H29A,H29B),
  C28(H28A,H28B), C13(H13A,H13B)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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 0.44717(2) 0.69783(2) 0.28781(2) 0.01371(5) Uani 1 1 d . . . . .
P1 P 0.63670(4) 0.65965(2) 0.29428(4) 0.01053(9) Uani 1 1 d . . . . .
F5 F 0.51845(12) 0.79201(6) 0.08324(11) 0.0224(3) Uani 1 1 d . . . . .
F4 F 0.56071(13) 0.91819(8) 0.07435(13) 0.0315(3) Uani 1 1 d . . . . .
F1 F 0.48173(14) 0.80714(7) 0.48657(12) 0.0290(3) Uani 1 1 d . . . . .
F2 F 0.52447(14) 0.93326(7) 0.4830(2) 0.0502(5) Uani 1 1 d . . . . .
F3 F 0.56107(15) 0.98950(7) 0.26723(17) 0.0392(4) Uani 1 1 d . . . . .
C14 C 0.68183(15) 0.60820(8) 0.17454(15) 0.0114(3) Uani 1 1 d . . . . .
H14 H 0.7654 0.6034 0.1814 0.014 Uiso 1 1 calc R . . . .
C20 C 0.66075(16) 0.60747(9) 0.42013(15) 0.0130(3) Uani 1 1 d . . . . .
H20 H 0.6156 0.5690 0.4033 0.016 Uiso 1 1 calc R . . . .
C26 C 0.74678(16) 0.72383(9) 0.29375(16) 0.0144(3) Uani 1 1 d . . . . .
H26 H 0.7152 0.7566 0.2424 0.017 Uiso 1 1 calc R . . . .
C21 C 0.78410(17) 0.58324(9) 0.44065(16) 0.0156(3) Uani 1 1 d . . . . .
H21A H 0.8129 0.5653 0.3706 0.019 Uiso 1 1 calc R . . . .
H21B H 0.8334 0.6186 0.4630 0.019 Uiso 1 1 calc R . . . .
C6 C 0.51791(17) 0.82455(10) 0.18428(18) 0.0188(4) Uani 1 1 d . . . . .
C1 C 0.49625(17) 0.79283(9) 0.28543(18) 0.0167(3) Uani 1 1 d . . . . .
C25 C 0.61069(17) 0.63390(9) 0.53102(16) 0.0165(3) Uani 1 1 d . . . . .
H25A H 0.6553 0.6704 0.5568 0.020 Uiso 1 1 calc R . . . .
H25B H 0.5323 0.6478 0.5168 0.020 Uiso 1 1 calc R . . . .
C19 C 0.63036(17) 0.54088(9) 0.17150(16) 0.0159(3) Uani 1 1 d . . . . .
H19A H 0.5473 0.5436 0.1654 0.019 Uiso 1 1 calc R . . . .
H19B H 0.6504 0.5187 0.2417 0.019 Uiso 1 1 calc R . . . .
C15 C 0.65598(16) 0.64299(9) 0.06138(15) 0.0137(3) Uani 1 1 d . . . . .
H15A H 0.5736 0.6475 0.0505 0.016 Uiso 1 1 calc R . . . .
H15B H 0.6895 0.6853 0.0642 0.016 Uiso 1 1 calc R . . . .
C10 C 0.36348(17) 0.61135(10) 0.3444(2) 0.0213(4) Uani 1 1 d . . . . .
H10 H 0.4052 0.5754 0.3789 0.026 Uiso 1 1 calc R . . . .
C27 C 0.75996(18) 0.75691(9) 0.41053(16) 0.0169(3) Uani 1 1 d . . . . .
H27A H 0.6847 0.7664 0.4399 0.020 Uiso 1 1 calc R . . . .
H27B H 0.7990 0.7286 0.4640 0.020 Uiso 1 1 calc R . . . .
C16 C 0.70504(18) 0.60594(10) -0.03870(16) 0.0182(4) Uani 1 1 d . . . . .
H16A H 0.6864 0.6279 -0.1095 0.022 Uiso 1 1 calc R . . . .
H16B H 0.7880 0.6039 -0.0305 0.022 Uiso 1 1 calc R . . . .
C5 C 0.54050(18) 0.88924(10) 0.1760(2) 0.0229(4) Uani 1 1 d . . . . .
C22 C 0.78689(19) 0.53239(10) 0.53436(17) 0.0193(4) Uani 1 1 d . . . . .
H22A H 0.7441 0.4953 0.5084 0.023 Uiso 1 1 calc R . . . .
H22B H 0.8657 0.5194 0.5493 0.023 Uiso 1 1 calc R . . . .
C31 C 0.86616(17) 0.70859(10) 0.24745(18) 0.0175(4) Uani 1 1 d . . . . .
H31A H 0.9063 0.6796 0.2990 0.021 Uiso 1 1 calc R . . . .
H31B H 0.8581 0.6880 0.1736 0.021 Uiso 1 1 calc R . . . .
C24 C 0.61307(19) 0.58219(10) 0.62364(17) 0.0208(4) Uani 1 1 d . . . . .
H24A H 0.5839 0.5996 0.6939 0.025 Uiso 1 1 calc R . . . .
H24B H 0.5636 0.5472 0.6002 0.025 Uiso 1 1 calc R . . . .
C17 C 0.6559(2) 0.53860(10) -0.04306(18) 0.0228(4) Uani 1 1 d . . . . .
H17A H 0.5741 0.5407 -0.0599 0.027 Uiso 1 1 calc R . . . .
H17B H 0.6916 0.5150 -0.1040 0.027 Uiso 1 1 calc R . . . .
C30 C 0.93554(19) 0.77046(11) 0.23582(18) 0.0219(4) Uani 1 1 d . . . . .
H30A H 1.0118 0.7603 0.2096 0.026 Uiso 1 1 calc R . . . .
H30B H 0.8985 0.7976 0.1791 0.026 Uiso 1 1 calc R . . . .
C11 C 0.34421(18) 0.61762(10) 0.2280(2) 0.0233(4) Uani 1 1 d . . . . .
H11 H 0.3713 0.5866 0.1723 0.028 Uiso 1 1 calc R . . . .
C8 C 0.28649(19) 0.71536(11) 0.3717(2) 0.0265(5) Uani 1 1 d . . . . .
H8 H 0.2757 0.7506 0.4253 0.032 Uiso 1 1 calc R . . . .
C23 C 0.7353(2) 0.55736(11) 0.64469(17) 0.0226(4) Uani 1 1 d . . . . .
H23A H 0.7830 0.5915 0.6753 0.027 Uiso 1 1 calc R . . . .
H23B H 0.7341 0.5234 0.7007 0.027 Uiso 1 1 calc R . . . .
C18 C 0.6763(2) 0.50366(10) 0.06944(18) 0.0210(4) Uani 1 1 d . . . . .
H18A H 0.7580 0.4965 0.0809 0.025 Uiso 1 1 calc R . . . .
H18B H 0.6389 0.4624 0.0655 0.025 Uiso 1 1 calc R . . . .
C4 C 0.54149(19) 0.92601(10) 0.2737(2) 0.0263(5) Uani 1 1 d . . . . .
C2 C 0.49964(19) 0.83243(10) 0.38046(19) 0.0214(4) Uani 1 1 d . . . . .
C9 C 0.26275(19) 0.64531(11) 0.4024(2) 0.0261(5) Uani 1 1 d . . . . .
H9 H 0.2502 0.6355 0.4829 0.031 Uiso 1 1 calc R . . . .
C12 C 0.23026(19) 0.65481(12) 0.2128(2) 0.0281(5) Uani 1 1 d . . . . .
H12 H 0.1912 0.6523 0.1380 0.034 Uiso 1 1 calc R . . . .
C29 C 0.9454(2) 0.80629(12) 0.3492(2) 0.0260(5) Uani 1 1 d . . . . .
H29A H 0.9917 0.7815 0.4028 0.031 Uiso 1 1 calc R . . . .
H29B H 0.9841 0.8466 0.3372 0.031 Uiso 1 1 calc R . . . .
C3 C 0.5216(2) 0.89746(11) 0.3778(2) 0.0271(5) Uani 1 1 d . . . . .
C7 C 0.26667(18) 0.72126(11) 0.2551(2) 0.0266(5) Uani 1 1 d . . . . .
H7 H 0.2411 0.7609 0.2185 0.032 Uiso 1 1 calc R . . . .
C28 C 0.8287(2) 0.81871(11) 0.3996(2) 0.0251(4) Uani 1 1 d . . . . .
H28A H 0.7863 0.8484 0.3513 0.030 Uiso 1 1 calc R . . . .
H28B H 0.8388 0.8380 0.4743 0.030 Uiso 1 1 calc R . . . .
C13 C 0.16393(19) 0.63014(12) 0.3167(3) 0.0311(5) Uani 1 1 d . . . . .
H13A H 0.0948 0.6544 0.3309 0.037 Uiso 1 1 calc R . . . .
H13B H 0.1465 0.5850 0.3120 0.037 Uiso 1 1 calc R . . . .


_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 2.3486(5) . ?
Rh1 C1 2.074(2) . ?
Rh1 C10 2.170(2) . ?
Rh1 C11 2.174(2) . ?
Rh1 C8 2.165(2) . ?
Rh1 C7 2.185(2) . ?
P1 C14 1.8560(18) . ?
P1 C20 1.8537(18) . ?
P1 C26 1.8597(19) . ?
F5 C6 1.367(2) . ?
F4 C5 1.362(3) . ?
F1 C2 1.373(3) . ?
F2 C3 1.444(3) . ?
F3 C4 1.354(3) . ?
C14 H14 0.9800 . ?
C14 C19 1.535(3) . ?
C14 C15 1.538(2) . ?
C20 H20 0.9800 . ?
C20 C21 1.538(3) . ?
C20 C25 1.540(3) . ?
C26 H26 0.9800 . ?
C26 C27 1.540(3) . ?
C26 C31 1.538(3) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C21 C22 1.531(3) . ?
C6 C1 1.388(3) . ?
C6 C5 1.386(3) . ?
C1 C2 1.390(3) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C25 C24 1.535(3) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C19 C18 1.535(3) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C15 C16 1.529(3) . ?
C10 H10 0.9800 . ?
C10 C11 1.384(3) . ?
C10 C9 1.544(3) . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C27 C28 1.531(3) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C16 C17 1.525(3) . ?
C5 C4 1.382(4) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C22 C23 1.531(3) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C31 C30 1.537(3) . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C24 C23 1.531(3) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C17 C18 1.523(3) . ?
C30 H30A 0.9700 . ?
C30 H30B 0.9700 . ?
C30 C29 1.529(3) . ?
C11 H11 0.9800 . ?
C11 C12 1.547(3) . ?
C8 H8 0.9800 . ?
C8 C9 1.540(3) . ?
C8 C7 1.387(4) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C4 C3 1.383(4) . ?
C2 C3 1.389(3) . ?
C9 H9 0.9800 . ?
C9 C13 1.545(4) . ?
C12 H12 0.9800 . ?
C12 C7 1.537(4) . ?
C12 C13 1.546(4) . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C29 C28 1.517(4) . ?
C7 H7 0.9800 . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?

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
C1 Rh1 P1 93.95(6) . . ?
C1 Rh1 C10 158.96(8) . . ?
C1 Rh1 C11 152.87(8) . . ?
C1 Rh1 C8 94.83(8) . . ?
C1 Rh1 C7 92.64(8) . . ?
C10 Rh1 P1 97.66(6) . . ?
C10 Rh1 C11 37.16(9) . . ?
C10 Rh1 C7 78.73(8) . . ?
C11 Rh1 P1 104.96(6) . . ?
C11 Rh1 C7 66.14(9) . . ?
C8 Rh1 P1 149.87(7) . . ?
C8 Rh1 C10 66.71(9) . . ?
C8 Rh1 C11 78.56(9) . . ?
C8 Rh1 C7 37.17(10) . . ?
C7 Rh1 P1 169.37(7) . . ?
C14 P1 Rh1 117.11(6) . . ?
C14 P1 C26 102.23(8) . . ?
C20 P1 Rh1 110.65(6) . . ?
C20 P1 C14 102.61(8) . . ?
C20 P1 C26 109.76(9) . . ?
C26 P1 Rh1 113.63(6) . . ?
P1 C14 H14 107.1 . . ?
C19 C14 P1 115.84(13) . . ?
C19 C14 H14 107.1 . . ?
C19 C14 C15 110.35(15) . . ?
C15 C14 P1 108.86(12) . . ?
C15 C14 H14 107.1 . . ?
P1 C20 H20 104.8 . . ?
C21 C20 P1 116.36(13) . . ?
C21 C20 H20 104.8 . . ?
C21 C20 C25 110.90(15) . . ?
C25 C20 P1 113.95(13) . . ?
C25 C20 H20 104.8 . . ?
P1 C26 H26 105.0 . . ?
C27 C26 P1 112.25(13) . . ?
C27 C26 H26 105.0 . . ?
C31 C26 P1 118.67(13) . . ?
C31 C26 H26 105.0 . . ?
C31 C26 C27 109.53(16) . . ?
C20 C21 H21A 109.6 . . ?
C20 C21 H21B 109.6 . . ?
H21A C21 H21B 108.1 . . ?
C22 C21 C20 110.34(16) . . ?
C22 C21 H21A 109.6 . . ?
C22 C21 H21B 109.6 . . ?
F5 C6 C1 120.36(18) . . ?
F5 C6 C5 115.04(19) . . ?
C5 C6 C1 124.6(2) . . ?
C6 C1 Rh1 121.84(16) . . ?
C6 C1 C2 113.33(19) . . ?
C2 C1 Rh1 124.53(15) . . ?
C20 C25 H25A 109.7 . . ?
C20 C25 H25B 109.7 . . ?
H25A C25 H25B 108.2 . . ?
C24 C25 C20 109.97(16) . . ?
C24 C25 H25A 109.7 . . ?
C24 C25 H25B 109.7 . . ?
C14 C19 H19A 109.6 . . ?
C14 C19 H19B 109.6 . . ?
C14 C19 C18 110.10(16) . . ?
H19A C19 H19B 108.2 . . ?
C18 C19 H19A 109.6 . . ?
C18 C19 H19B 109.6 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 108.1 . . ?
C16 C15 C14 110.57(15) . . ?
C16 C15 H15A 109.5 . . ?
C16 C15 H15B 109.5 . . ?
Rh1 C10 H10 123.2 . . ?
C11 C10 Rh1 71.55(12) . . ?
C11 C10 H10 123.2 . . ?
C11 C10 C9 106.40(18) . . ?
C9 C10 Rh1 95.73(13) . . ?
C9 C10 H10 123.2 . . ?
C26 C27 H27A 109.6 . . ?
C26 C27 H27B 109.6 . . ?
H27A C27 H27B 108.1 . . ?
C28 C27 C26 110.46(16) . . ?
C28 C27 H27A 109.6 . . ?
C28 C27 H27B 109.6 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 108.1 . . ?
C17 C16 C15 110.52(16) . . ?
C17 C16 H16A 109.5 . . ?
C17 C16 H16B 109.5 . . ?
F4 C5 C6 122.3(2) . . ?
F4 C5 C4 118.6(2) . . ?
C4 C5 C6 119.1(2) . . ?
C21 C22 H22A 109.3 . . ?
C21 C22 H22B 109.3 . . ?
H22A C22 H22B 108.0 . . ?
C23 C22 C21 111.43(17) . . ?
C23 C22 H22A 109.3 . . ?
C23 C22 H22B 109.3 . . ?
C26 C31 H31A 109.7 . . ?
C26 C31 H31B 109.7 . . ?
H31A C31 H31B 108.2 . . ?
C30 C31 C26 109.71(17) . . ?
C30 C31 H31A 109.7 . . ?
C30 C31 H31B 109.7 . . ?
C25 C24 H24A 109.5 . . ?
C25 C24 H24B 109.5 . . ?
H24A C24 H24B 108.0 . . ?
C23 C24 C25 110.90(17) . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
C16 C17 H17A 109.3 . . ?
C16 C17 H17B 109.3 . . ?
H17A C17 H17B 108.0 . . ?
C18 C17 C16 111.46(17) . . ?
C18 C17 H17A 109.3 . . ?
C18 C17 H17B 109.3 . . ?
C31 C30 H30A 109.3 . . ?
C31 C30 H30B 109.3 . . ?
H30A C30 H30B 108.0 . . ?
C29 C30 C31 111.58(17) . . ?
C29 C30 H30A 109.3 . . ?
C29 C30 H30B 109.3 . . ?
Rh1 C11 H11 123.1 . . ?
C10 C11 Rh1 71.29(13) . . ?
C10 C11 H11 123.1 . . ?
C10 C11 C12 106.4(2) . . ?
C12 C11 Rh1 96.48(14) . . ?
C12 C11 H11 123.1 . . ?
Rh1 C8 H8 122.9 . . ?
C9 C8 Rh1 96.07(14) . . ?
C9 C8 H8 122.9 . . ?
C7 C8 Rh1 72.20(13) . . ?
C7 C8 H8 122.9 . . ?
C7 C8 C9 106.8(2) . . ?
C22 C23 C24 111.17(17) . . ?
C22 C23 H23A 109.4 . . ?
C22 C23 H23B 109.4 . . ?
C24 C23 H23A 109.4 . . ?
C24 C23 H23B 109.4 . . ?
H23A C23 H23B 108.0 . . ?
C19 C18 H18A 109.1 . . ?
C19 C18 H18B 109.1 . . ?
C17 C18 C19 112.34(17) . . ?
C17 C18 H18A 109.1 . . ?
C17 C18 H18B 109.1 . . ?
H18A C18 H18B 107.9 . . ?
F3 C4 C5 120.1(2) . . ?
F3 C4 C3 120.5(2) . . ?
C5 C4 C3 119.4(2) . . ?
F1 C2 C1 119.55(19) . . ?
F1 C2 C3 115.6(2) . . ?
C3 C2 C1 124.8(2) . . ?
C10 C9 H9 117.3 . . ?
C10 C9 C13 100.4(2) . . ?
C8 C9 C10 101.25(16) . . ?
C8 C9 H9 117.3 . . ?
C8 C9 C13 100.34(19) . . ?
C13 C9 H9 117.3 . . ?
C11 C12 H12 117.2 . . ?
C7 C12 C11 100.96(17) . . ?
C7 C12 H12 117.2 . . ?
C7 C12 C13 100.9(2) . . ?
C13 C12 C11 100.52(18) . . ?
C13 C12 H12 117.2 . . ?
C30 C29 H29A 109.2 . . ?
C30 C29 H29B 109.2 . . ?
H29A C29 H29B 107.9 . . ?
C28 C29 C30 111.87(18) . . ?
C28 C29 H29A 109.2 . . ?
C28 C29 H29B 109.2 . . ?
C4 C3 F2 121.8(2) . . ?
C4 C3 C2 118.7(2) . . ?
C2 C3 F2 119.5(2) . . ?
Rh1 C7 H7 123.4 . . ?
C8 C7 Rh1 70.63(12) . . ?
C8 C7 C12 106.0(2) . . ?
C8 C7 H7 123.4 . . ?
C12 C7 Rh1 96.34(14) . . ?
C12 C7 H7 123.4 . . ?
C27 C28 H28A 109.4 . . ?
C27 C28 H28B 109.4 . . ?
C29 C28 C27 111.23(19) . . ?
C29 C28 H28A 109.4 . . ?
C29 C28 H28B 109.4 . . ?
H28A C28 H28B 108.0 . . ?
C9 C13 C12 93.76(17) . . ?
C9 C13 H13A 113.0 . . ?
C9 C13 H13B 113.0 . . ?
C12 C13 H13A 113.0 . . ?
C12 C13 H13B 113.0 . . ?
H13A C13 H13B 110.4 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Rh1 P1 C14 C19 -71.67(14) . . . . ?
Rh1 P1 C14 C15 53.33(13) . . . . ?
Rh1 P1 C20 C21 -175.29(12) . . . . ?
Rh1 P1 C20 C25 -44.31(15) . . . . ?
Rh1 P1 C26 C27 76.26(14) . . . . ?
Rh1 P1 C26 C31 -154.29(13) . . . . ?
Rh1 C1 C2 F1 7.4(3) . . . . ?
Rh1 C1 C2 C3 -173.45(18) . . . . ?
Rh1 C10 C11 C12 -91.41(15) . . . . ?
Rh1 C10 C9 C8 4.29(19) . . . . ?
Rh1 C10 C9 C13 107.16(15) . . . . ?
Rh1 C11 C12 C7 -2.44(19) . . . . ?
Rh1 C11 C12 C13 -105.81(17) . . . . ?
Rh1 C8 C9 C10 -4.30(19) . . . . ?
Rh1 C8 C9 C13 -107.23(17) . . . . ?
Rh1 C8 C7 C12 91.18(15) . . . . ?
P1 C14 C19 C18 -179.24(14) . . . . ?
P1 C14 C15 C16 173.10(13) . . . . ?
P1 C20 C21 C22 -170.55(13) . . . . ?
P1 C20 C25 C24 168.63(14) . . . . ?
P1 C26 C27 C28 -166.54(15) . . . . ?
P1 C26 C31 C30 170.31(14) . . . . ?
F5 C6 C1 Rh1 -6.5(3) . . . . ?
F5 C6 C1 C2 179.52(18) . . . . ?
F5 C6 C5 F4 0.6(3) . . . . ?
F5 C6 C5 C4 179.86(19) . . . . ?
F4 C5 C4 F3 0.7(3) . . . . ?
F4 C5 C4 C3 -179.8(2) . . . . ?
F1 C2 C3 F2 0.1(3) . . . . ?
F1 C2 C3 C4 179.4(2) . . . . ?
F3 C4 C3 F2 -2.0(4) . . . . ?
F3 C4 C3 C2 178.7(2) . . . . ?
C14 P1 C20 C21 59.03(15) . . . . ?
C14 P1 C20 C25 -169.99(14) . . . . ?
C14 P1 C26 C27 -156.61(14) . . . . ?
C14 P1 C26 C31 -27.15(16) . . . . ?
C14 C19 C18 C17 -54.8(2) . . . . ?
C14 C15 C16 C17 57.8(2) . . . . ?
C20 P1 C14 C19 49.70(15) . . . . ?
C20 P1 C14 C15 174.70(12) . . . . ?
C20 P1 C26 C27 -48.23(16) . . . . ?
C20 P1 C26 C31 81.22(16) . . . . ?
C20 C21 C22 C23 -55.8(2) . . . . ?
C20 C25 C24 C23 57.1(2) . . . . ?
C26 P1 C14 C19 163.46(14) . . . . ?
C26 P1 C14 C15 -71.54(13) . . . . ?
C26 P1 C20 C21 -49.09(16) . . . . ?
C26 P1 C20 C25 81.89(15) . . . . ?
C26 C27 C28 C29 -56.8(2) . . . . ?
C26 C31 C30 C29 56.6(2) . . . . ?
C21 C20 C25 C24 -57.8(2) . . . . ?
C21 C22 C23 C24 55.7(2) . . . . ?
C6 C1 C2 F1 -178.87(18) . . . . ?
C6 C1 C2 C3 0.3(3) . . . . ?
C6 C5 C4 F3 -178.7(2) . . . . ?
C6 C5 C4 C3 0.9(3) . . . . ?
C1 C6 C5 F4 -179.68(19) . . . . ?
C1 C6 C5 C4 -0.4(3) . . . . ?
C1 C2 C3 F2 -179.1(2) . . . . ?
C1 C2 C3 C4 0.2(4) . . . . ?
C25 C20 C21 C22 57.1(2) . . . . ?
C25 C24 C23 C22 -56.3(2) . . . . ?
C19 C14 C15 C16 -58.7(2) . . . . ?
C15 C14 C19 C18 56.5(2) . . . . ?
C15 C16 C17 C18 -55.4(2) . . . . ?
C10 C11 C12 C7 69.9(2) . . . . ?
C10 C11 C12 C13 -33.5(2) . . . . ?
C10 C9 C13 C12 -52.1(2) . . . . ?
C27 C26 C31 C30 -59.0(2) . . . . ?
C16 C17 C18 C19 54.5(2) . . . . ?
C5 C6 C1 Rh1 173.71(16) . . . . ?
C5 C6 C1 C2 -0.2(3) . . . . ?
C5 C4 C3 F2 178.4(2) . . . . ?
C5 C4 C3 C2 -0.8(3) . . . . ?
C31 C26 C27 C28 59.4(2) . . . . ?
C31 C30 C29 C28 -54.2(3) . . . . ?
C30 C29 C28 C27 54.0(3) . . . . ?
C11 C10 C9 C8 -68.1(2) . . . . ?
C11 C10 C9 C13 34.7(2) . . . . ?
C11 C12 C7 Rh1 2.43(18) . . . . ?
C11 C12 C7 C8 -69.2(2) . . . . ?
C11 C12 C13 C9 51.7(2) . . . . ?
C8 C9 C13 C12 51.5(2) . . . . ?
C9 C10 C11 Rh1 90.66(15) . . . . ?
C9 C10 C11 C12 -0.8(2) . . . . ?
C9 C8 C7 Rh1 -91.09(15) . . . . ?
C9 C8 C7 C12 0.1(2) . . . . ?
C7 C8 C9 C10 68.9(2) . . . . ?
C7 C8 C9 C13 -34.0(2) . . . . ?
C7 C12 C13 C9 -51.8(2) . . . . ?
C13 C12 C7 Rh1 105.53(15) . . . . ?
C13 C12 C7 C8 33.9(2) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'

_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: hexanes'
_chemical_properties_physical    'Air-sensitive, Hygroscopic'
