#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/36/4123695.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4123695
loop_
_publ_author_name
'Chan, Alan Kwun-Wa'
'Wong, Keith Man-Chung'
'Yam, Vivian Wing-Wah'
_publ_section_title
;
 Supramolecular assembly of isocyanorhodium(i) complexes: an interplay of
 rhodium(i)···rhodium(i) interactions,
 hydrophobic-hydrophobic interactions, and host-guest chemistry.
;
_journal_issue                   21
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              6920
_journal_page_last               6931
_journal_paper_doi               10.1021/jacs.5b03396
_journal_volume                  137
_journal_year                    2015
_chemical_formula_sum            'C40 H44 F6 N4 O12 P Rh'
_chemical_formula_weight         1020.67
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                100.322(2)
_cell_angle_beta                 98.560(2)
_cell_angle_gamma                106.549(2)
_cell_formula_units_Z            6
_cell_length_a                   16.4929(14)
_cell_length_b                   19.9021(16)
_cell_length_c                   22.3353(18)
_cell_measurement_reflns_used    42
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      15
_cell_measurement_theta_min      15
_cell_volume                     6756.9(10)
_computing_cell_refinement       'BRUKER KAPPA APEXII DUO DIFFRACTOMETER'
_computing_data_collection       'BRUKER KAPPA APEXII DUO DIFFRACTOMETER'
_computing_data_reduction        'BRUKER KAPPA APEXII DUO DIFFRACTOMETER'
_computing_molecular_graphics    'SIEMENS SHELXTL'
_computing_publication_material  'SIEMENS SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'BRUKER KAPPA APEXII DUO DIFFRACTOMETER'
_diffrn_measurement_method       'PHI & OMEGA SCAN'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1347
_diffrn_reflns_av_sigmaI/netI    0.1635
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            89339
_diffrn_reflns_theta_full        25.25
_diffrn_reflns_theta_max         25.25
_diffrn_reflns_theta_min         0.95
_exptl_absorpt_coefficient_mu    0.503
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6644
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.505
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3132
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.987
_refine_diff_density_min         -0.651
_refine_diff_density_rms         0.141
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.993
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1752
_refine_ls_number_reflns         24003
_refine_ls_number_restraints     22
_refine_ls_restrained_S_all      0.995
_refine_ls_R_factor_all          0.1710
_refine_ls_R_factor_gt           0.0664
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0877P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1381
_refine_ls_wR_factor_ref         0.1925
_reflns_number_gt                11755
_reflns_number_total             24003
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja5b03396_si_002.cif
_cod_data_source_block           YAMALANXR030314(LOW)
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 4123695.cif.
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4123695
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.13855(4) 0.14561(4) 0.15837(3) 0.03774(19) Uani 1 1 d . . .
Rh2 Rh 0.18650(4) 0.09562(3) 0.27914(3) 0.02811(17) Uani 1 1 d . . .
Rh3 Rh 0.16168(4) 0.01546(3) 0.38870(3) 0.02607(17) Uani 1 1 d . . .
P1 P 0.5000 1.0000 0.5000 0.0410(8) Uani 1 2 d S . .
P2 P 0.0000 0.5000 0.0000 0.172(3) Uani 1 2 d SD . .
P3 P 0.86094(15) 0.07907(13) 0.30982(11) 0.0423(6) Uani 1 1 d . . .
P4 P 0.48058(15) 0.13255(14) 0.19639(13) 0.0505(7) Uani 1 1 d . . .
C1 C 0.0197(6) 0.0795(5) 0.1342(4) 0.043(2) Uani 1 1 d . . .
C2 C 0.1726(5) 0.0663(5) 0.1142(4) 0.041(2) Uani 1 1 d . . .
C3 C 0.2468(6) 0.2199(5) 0.1596(4) 0.042(2) Uani 1 1 d . . .
C4 C 0.0897(5) 0.2197(5) 0.1919(4) 0.039(2) Uani 1 1 d . . .
C5 C 0.0771(5) 0.0137(4) 0.2506(4) 0.0302(19) Uani 1 1 d . . .
C6 C 0.2446(5) 0.0258(4) 0.2482(4) 0.0306(19) Uani 1 1 d . . .
C7 C 0.2930(5) 0.1788(4) 0.2971(4) 0.0299(19) Uani 1 1 d . . .
C8 C 0.1401(5) 0.1703(4) 0.3176(4) 0.0311(19) Uani 1 1 d . . .
C9 C 0.0460(5) -0.0546(4) 0.3723(4) 0.0316(19) Uani 1 1 d . . .
C10 C 0.2005(5) -0.0660(4) 0.3558(4) 0.0303(19) Uani 1 1 d . . .
C11 C 0.2799(5) 0.0844(4) 0.4110(4) 0.034(2) Uani 1 1 d . . .
C12 C 0.1197(5) 0.0890(4) 0.4333(4) 0.0321(19) Uani 1 1 d . . .
N1 N -0.0500(5) 0.0407(4) 0.1167(3) 0.0426(19) Uani 1 1 d . . .
N2 N 0.1816(4) 0.0157(4) 0.0864(3) 0.0426(18) Uani 1 1 d . . .
N3 N 0.3023(5) 0.2672(4) 0.1545(3) 0.047(2) Uani 1 1 d . . .
N4 N 0.0564(4) 0.2601(4) 0.2091(3) 0.0396(17) Uani 1 1 d . . .
N5 N 0.0199(4) -0.0380(4) 0.2286(3) 0.0331(16) Uani 1 1 d . . .
N6 N 0.2757(4) -0.0173(3) 0.2332(3) 0.0339(16) Uani 1 1 d . . .
N7 N 0.3493(4) 0.2321(3) 0.3073(3) 0.0295(15) Uani 1 1 d . . .
N8 N 0.1273(4) 0.2199(4) 0.3440(3) 0.0313(16) Uani 1 1 d . . .
N9 N -0.0208(4) -0.0974(4) 0.3627(3) 0.0323(16) Uani 1 1 d . . .
N10 N 0.2166(4) -0.1181(4) 0.3393(3) 0.0326(16) Uani 1 1 d . . .
N11 N 0.3480(4) 0.1265(3) 0.4260(3) 0.0336(16) Uani 1 1 d . . .
N12 N 0.0960(4) 0.1307(3) 0.4625(3) 0.0309(16) Uani 1 1 d . . .
O1 O -0.3592(4) -0.0407(4) 0.0904(3) 0.0618(19) Uani 1 1 d . . .
O2 O -0.3641(4) -0.1699(4) 0.0308(3) 0.0664(19) Uani 1 1 d . . .
O3 O -0.2226(4) -0.1952(3) 0.0010(3) 0.0567(17) Uani 1 1 d . . .
O4 O 0.0419(4) -0.2080(4) -0.0574(3) 0.074(2) Uani 1 1 d . . .
O5 O 0.2020(4) -0.2254(4) -0.0675(3) 0.0603(18) Uani 1 1 d . . .
O6 O 0.3488(4) -0.1262(4) 0.0037(3) 0.065(2) Uani 1 1 d . . .
O7 O 0.5903(5) 0.4007(5) 0.1441(4) 0.084(2) Uani 1 1 d . B .
O8 O 0.5298(6) 0.4960(5) 0.0976(5) 0.119(4) Uani 1 1 d . . .
O9 O 0.3628(7) 0.4846(5) 0.0818(4) 0.113(3) Uani 1 1 d . B .
O10 O 0.0375(4) 0.4934(3) 0.2918(3) 0.066(2) Uani 1 1 d . . .
O11 O -0.1380(5) 0.4368(5) 0.2682(5) 0.124(4) Uani 1 1 d . . .
O12 O -0.2149(4) 0.2966(4) 0.2282(4) 0.084(3) Uani 1 1 d . . .
O13 O -0.2761(4) -0.1941(3) 0.1806(3) 0.0511(16) Uani 1 1 d . . .
O14 O -0.2265(4) -0.3053(3) 0.1323(3) 0.0635(19) Uani 1 1 d . . .
O15 O -0.0487(4) -0.2809(4) 0.1304(4) 0.085(3) Uani 1 1 d . . .
O16 O 0.2627(4) -0.2519(3) 0.1243(3) 0.0570(18) Uani 1 1 d . . .
O17 O 0.4320(4) -0.2223(3) 0.1719(3) 0.0555(17) Uani 1 1 d . . .
O18 O 0.5262(4) -0.0973(3) 0.2486(3) 0.0529(17) Uani 1 1 d . . .
O19 O 0.6378(3) 0.4013(3) 0.3436(3) 0.0510(17) Uani 1 1 d . . .
O20 O 0.5719(3) 0.5051(3) 0.3307(3) 0.0493(16) Uani 1 1 d . . .
O21 O 0.4024(4) 0.4806(3) 0.3008(3) 0.0533(17) Uani 1 1 d . . .
O22 O 0.2476(4) 0.4735(3) 0.4413(3) 0.0547(17) Uani 1 1 d . . .
O23 O 0.0883(4) 0.4775(3) 0.4518(3) 0.0485(16) Uani 1 1 d . . .
O24 O -0.0480(3) 0.3607(3) 0.4165(3) 0.0445(15) Uani 1 1 d . . .
O25 O -0.3106(3) -0.1468(3) 0.3952(3) 0.0517(17) Uani 1 1 d . . .
O26 O -0.3509(3) -0.2833(3) 0.3321(3) 0.0506(16) Uani 1 1 d . . .
O27 O -0.2366(4) -0.3310(3) 0.2801(3) 0.0509(16) Uani 1 1 d . . .
O28 O 0.1309(4) -0.3650(3) 0.2273(3) 0.0538(17) Uani 1 1 d . . .
O29 O 0.2905(3) -0.3681(3) 0.2638(3) 0.0450(15) Uani 1 1 d . . .
O30 O 0.4145(3) -0.2535(3) 0.3352(3) 0.0455(15) Uani 1 1 d . . .
O31 O 0.6523(3) 0.2137(3) 0.4277(3) 0.0435(15) Uani 1 1 d . . .
O32 O 0.6641(3) 0.3393(3) 0.5004(3) 0.0455(15) Uani 1 1 d . . .
O33 O 0.5287(4) 0.3617(3) 0.5421(3) 0.0590(19) Uani 1 1 d . . .
O34 O 0.1533(3) 0.3677(3) 0.5910(3) 0.0437(15) Uani 1 1 d . . .
O35 O -0.0069(4) 0.3320(3) 0.6071(3) 0.0477(16) Uani 1 1 d . . .
O36 O -0.1238(3) 0.2027(3) 0.5499(3) 0.0503(16) Uani 1 1 d . . .
F1 F 0.4875(4) 0.9886(3) 0.4271(3) 0.0822(19) Uani 1 1 d . . .
F2 F 0.5590(4) 0.9505(3) 0.4998(3) 0.088(2) Uani 1 1 d . . .
F3 F 0.4193(3) 0.9316(3) 0.4922(3) 0.0791(18) Uani 1 1 d . . .
F4 F 0.0967(8) 0.5114(15) -0.0079(12) 0.133(13) Uani 0.39(3) 1 d PDU A 1
F4' F -0.0655(15) 0.5372(12) -0.0305(10) 0.205(12) Uani 0.61(3) 1 d PDU . 2
F5 F -0.0311(19) 0.4258(8) 0.0179(11) 0.385(12) Uani 1 1 d DU . .
F6 F 0.0215(12) 0.5388(7) 0.0710(4) 0.307(10) Uani 1 1 d D A .
F7 F 0.8348(7) 0.1446(4) 0.3059(5) 0.180(5) Uani 1 1 d . . .
F8 F 0.8106(6) 0.0655(7) 0.3609(4) 0.189(5) Uani 1 1 d . . .
F9 F 0.8876(7) 0.0122(4) 0.3177(3) 0.152(4) Uani 1 1 d . . .
F10 F 0.9099(5) 0.0909(6) 0.2599(4) 0.175(5) Uani 1 1 d . . .
F11 F 0.9431(5) 0.1221(4) 0.3608(3) 0.124(3) Uani 1 1 d . . .
F12 F 0.7820(5) 0.0345(4) 0.2590(4) 0.138(3) Uani 1 1 d . . .
F13 F 0.4046(4) 0.1611(4) 0.1749(4) 0.126(3) Uani 1 1 d . . .
F14 F 0.5381(4) 0.2122(3) 0.2314(4) 0.116(3) Uani 1 1 d . . .
F15 F 0.5576(3) 0.1054(4) 0.2196(3) 0.0784(18) Uani 1 1 d . . .
F16 F 0.4245(4) 0.0533(3) 0.1614(3) 0.094(2) Uani 1 1 d . . .
F17 F 0.4452(3) 0.1216(3) 0.2578(3) 0.0667(16) Uani 1 1 d . . .
F18 F 0.5179(3) 0.1444(3) 0.1357(3) 0.0684(16) Uani 1 1 d . . .
C13 C -0.1308(6) -0.0108(5) 0.0915(4) 0.044(2) Uani 1 1 d . . .
C14 C -0.2038(5) 0.0057(5) 0.1045(4) 0.044(2) Uani 1 1 d . . .
H14A H -0.1997 0.0520 0.1276 0.053 Uiso 1 1 calc R . .
C15 C -0.2822(6) -0.0480(5) 0.0825(4) 0.046(2) Uani 1 1 d . . .
C16 C -0.2858(6) -0.1151(5) 0.0484(4) 0.049(2) Uani 1 1 d . . .
C17 C -0.2118(6) -0.1279(5) 0.0354(4) 0.041(2) Uani 1 1 d . . .
C18 C -0.1329(6) -0.0757(5) 0.0570(4) 0.048(2) Uani 1 1 d . . .
H18A H -0.0815 -0.0841 0.0484 0.057 Uiso 1 1 calc R . .
C19 C -0.3574(6) 0.0270(6) 0.1265(5) 0.071(3) Uani 1 1 d . . .
H19A H -0.4166 0.0261 0.1287 0.107 Uiso 1 1 calc R . .
H19B H -0.3310 0.0657 0.1068 0.107 Uiso 1 1 calc R . .
H19C H -0.3233 0.0357 0.1686 0.107 Uiso 1 1 calc R . .
C20 C -0.4102(7) -0.1757(7) -0.0285(5) 0.102(5) Uani 1 1 d . . .
H20A H -0.4651 -0.2151 -0.0375 0.154 Uiso 1 1 calc R . .
H20B H -0.3761 -0.1858 -0.0593 0.154 Uiso 1 1 calc R . .
H20C H -0.4218 -0.1304 -0.0303 0.154 Uiso 1 1 calc R . .
C21 C -0.1457(6) -0.2109(5) -0.0105(5) 0.062(3) Uani 1 1 d . . .
H21A H -0.1615 -0.2603 -0.0355 0.093 Uiso 1 1 calc R . .
H21B H -0.1075 -0.2058 0.0292 0.093 Uiso 1 1 calc R . .
H21C H -0.1156 -0.1771 -0.0332 0.093 Uiso 1 1 calc R . .
C22 C 0.1898(6) -0.0458(5) 0.0506(4) 0.042(2) Uani 1 1 d . . .
C23 C 0.1140(6) -0.0981(5) 0.0165(4) 0.048(2) Uani 1 1 d . . .
H23A H 0.0595 -0.0914 0.0183 0.058 Uiso 1 1 calc R . .
C24 C 0.1187(6) -0.1602(5) -0.0204(4) 0.051(2) Uani 1 1 d . . .
C25 C 0.1986(6) -0.1686(5) -0.0247(4) 0.044(2) Uani 1 1 d . . .
C26 C 0.2736(6) -0.1145(5) 0.0105(4) 0.047(2) Uani 1 1 d . . .
C27 C 0.2690(5) -0.0538(5) 0.0486(4) 0.041(2) Uani 1 1 d . . .
H27A H 0.3202 -0.0178 0.0731 0.050 Uiso 1 1 calc R . .
C28 C 0.0241(6) -0.2831(6) -0.0598(5) 0.072(3) Uani 1 1 d . . .
H28A H -0.0320 -0.3102 -0.0878 0.108 Uiso 1 1 calc R . .
H28B H 0.0226 -0.2913 -0.0180 0.108 Uiso 1 1 calc R . .
H28C H 0.0695 -0.2992 -0.0754 0.108 Uiso 1 1 calc R . .
C29 C 0.2437(7) -0.2738(6) -0.0448(5) 0.087(4) Uani 1 1 d . . .
H29A H 0.2419 -0.3121 -0.0798 0.130 Uiso 1 1 calc R . .
H29B H 0.2134 -0.2952 -0.0148 0.130 Uiso 1 1 calc R . .
H29C H 0.3041 -0.2468 -0.0244 0.130 Uiso 1 1 calc R . .
C30 C 0.4273(6) -0.0732(5) 0.0397(5) 0.071(3) Uani 1 1 d . . .
H30A H 0.4768 -0.0879 0.0305 0.106 Uiso 1 1 calc R . .
H30B H 0.4272 -0.0686 0.0841 0.106 Uiso 1 1 calc R . .
H30C H 0.4318 -0.0266 0.0293 0.106 Uiso 1 1 calc R . .
C31 C 0.3616(6) 0.3256(5) 0.1416(4) 0.049(2) Uani 1 1 d . . .
C32 C 0.4475(6) 0.3310(5) 0.1519(4) 0.054(3) Uani 1 1 d . B .
H32A H 0.4679 0.2967 0.1686 0.064 Uiso 1 1 calc R . .
C33 C 0.5037(7) 0.3901(6) 0.1364(5) 0.066(3) Uani 1 1 d . . .
C34 C 0.4734(8) 0.4388(6) 0.1116(5) 0.073(3) Uani 1 1 d . B .
C35 C 0.3867(9) 0.4325(6) 0.1046(5) 0.072(3) Uani 1 1 d . . .
C36 C 0.3290(7) 0.3751(6) 0.1179(4) 0.064(3) Uani 1 1 d . B .
H36A H 0.2689 0.3692 0.1111 0.076 Uiso 1 1 calc R . .
C37 C 0.6252(7) 0.3532(7) 0.1707(6) 0.095(4) Uani 1 1 d . . .
H37A H 0.6878 0.3677 0.1728 0.143 Uiso 1 1 calc R B .
H37B H 0.5979 0.3041 0.1450 0.143 Uiso 1 1 calc R . .
H37C H 0.6142 0.3548 0.2127 0.143 Uiso 1 1 calc R . .
C38 C 0.566(2) 0.4732(14) 0.0440(12) 0.217(19) Uani 0.688(19) 1 d P B 1
H38A H 0.5496 0.4205 0.0333 0.326 Uiso 0.688(19) 1 calc PR B 1
H38B H 0.6287 0.4944 0.0546 0.326 Uiso 0.688(19) 1 calc PR B 1
H38C H 0.5422 0.4896 0.0084 0.326 Uiso 0.688(19) 1 calc PR B 1
C38' C 0.543(4) 0.577(2) 0.138(2) 0.18(3) Uani 0.312(19) 1 d P B 2
H38D H 0.5088 0.5735 0.1708 0.266 Uiso 0.312(19) 1 calc PR B 2
H38E H 0.5228 0.6051 0.1108 0.266 Uiso 0.312(19) 1 calc PR B 2
H38F H 0.6040 0.6014 0.1577 0.266 Uiso 0.312(19) 1 calc PR B 2
C39 C 0.2720(11) 0.4774(7) 0.0677(6) 0.134(7) Uani 1 1 d . . .
H39A H 0.2646 0.5182 0.0513 0.201 Uiso 1 1 calc R B .
H39B H 0.2492 0.4767 0.1058 0.201 Uiso 1 1 calc R . .
H39C H 0.2407 0.4323 0.0366 0.201 Uiso 1 1 calc R . .
C40 C 0.0076(5) 0.3058(5) 0.2269(4) 0.037(2) Uani 1 1 d . . .
C41 C 0.0507(5) 0.3776(4) 0.2514(4) 0.039(2) Uani 1 1 d . . .
H41A H 0.1118 0.3967 0.2567 0.047 Uiso 1 1 calc R . .
C42 C 0.0016(6) 0.4218(5) 0.2680(4) 0.052(3) Uani 1 1 d . . .
C43 C -0.0865(6) 0.3923(5) 0.2588(5) 0.064(3) Uani 1 1 d . . .
C44 C -0.1269(5) 0.3197(5) 0.2344(5) 0.055(3) Uani 1 1 d . . .
C45 C -0.0799(5) 0.2747(5) 0.2184(4) 0.046(2) Uani 1 1 d . . .
H45A H -0.1070 0.2243 0.2023 0.055 Uiso 1 1 calc R . .
C46 C 0.1299(5) 0.5238(5) 0.3055(4) 0.056(3) Uani 1 1 d . . .
H46A H 0.1466 0.5759 0.3223 0.085 Uiso 1 1 calc R . .
H46B H 0.1514 0.5144 0.2672 0.085 Uiso 1 1 calc R . .
H46C H 0.1549 0.5017 0.3362 0.085 Uiso 1 1 calc R . .
C47 C -0.1276(8) 0.4801(8) 0.3189(7) 0.129(6) Uani 1 1 d . . .
H47A H -0.1688 0.5070 0.3151 0.193 Uiso 1 1 calc R . .
H47B H -0.0684 0.5139 0.3300 0.193 Uiso 1 1 calc R . .
H47C H -0.1374 0.4535 0.3515 0.193 Uiso 1 1 calc R . .
C48 C -0.2586(6) 0.2211(6) 0.2062(5) 0.070(3) Uani 1 1 d . . .
H48A H -0.3209 0.2115 0.2034 0.104 Uiso 1 1 calc R . .
H48B H -0.2369 0.1954 0.2351 0.104 Uiso 1 1 calc R . .
H48C H -0.2479 0.2046 0.1649 0.104 Uiso 1 1 calc R . .
C49 C -0.0446(5) -0.1044(4) 0.2028(3) 0.0320(19) Uani 1 1 d . . .
C50 C -0.1303(5) -0.1114(4) 0.2041(4) 0.035(2) Uani 1 1 d . . .
H50A H -0.1467 -0.0715 0.2217 0.042 Uiso 1 1 calc R . .
C51 C -0.1916(5) -0.1788(5) 0.1787(4) 0.040(2) Uani 1 1 d . . .
C52 C -0.1680(5) -0.2377(5) 0.1510(4) 0.040(2) Uani 1 1 d . . .
C53 C -0.0826(6) -0.2289(5) 0.1513(4) 0.047(2) Uani 1 1 d . . .
C54 C -0.0190(5) -0.1612(5) 0.1768(4) 0.044(2) Uani 1 1 d . . .
H54A H 0.0402 -0.1547 0.1761 0.052 Uiso 1 1 calc R . .
C55 C -0.3033(6) -0.1370(5) 0.2107(4) 0.057(3) Uani 1 1 d . . .
H55A H -0.3657 -0.1548 0.2087 0.085 Uiso 1 1 calc R . .
H55B H -0.2903 -0.0972 0.1896 0.085 Uiso 1 1 calc R . .
H55C H -0.2724 -0.1198 0.2543 0.085 Uiso 1 1 calc R . .
C56 C -0.3003(6) -0.3168(6) 0.0844(5) 0.088(4) Uani 1 1 d . . .
H56A H -0.3373 -0.3671 0.0753 0.131 Uiso 1 1 calc R . .
H56B H -0.2812 -0.3061 0.0466 0.131 Uiso 1 1 calc R . .
H56C H -0.3330 -0.2850 0.0983 0.131 Uiso 1 1 calc R . .
C57 C -0.0949(8) -0.3414(6) 0.0833(5) 0.089(4) Uani 1 1 d . . .
H57A H -0.0584 -0.3717 0.0752 0.133 Uiso 1 1 calc R . .
H57B H -0.1128 -0.3264 0.0454 0.133 Uiso 1 1 calc R . .
H57C H -0.1463 -0.3688 0.0961 0.133 Uiso 1 1 calc R . .
C58 C 0.3155(5) -0.0697(5) 0.2182(4) 0.036(2) Uani 1 1 d . . .
C59 C 0.2664(5) -0.1345(4) 0.1781(4) 0.038(2) Uani 1 1 d . . .
H59A H 0.2067 -0.1437 0.1618 0.046 Uiso 1 1 calc R . .
C60 C 0.3055(6) -0.1855(5) 0.1623(4) 0.042(2) Uani 1 1 d . . .
C61 C 0.3938(5) -0.1703(5) 0.1857(4) 0.040(2) Uani 1 1 d . . .
C62 C 0.4413(5) -0.1058(5) 0.2272(4) 0.039(2) Uani 1 1 d . . .
C63 C 0.4024(5) -0.0534(4) 0.2442(4) 0.037(2) Uani 1 1 d . . .
H63A H 0.4342 -0.0085 0.2723 0.044 Uiso 1 1 calc R . .
C64 C 0.1727(6) -0.2718(5) 0.1076(5) 0.068(3) Uani 1 1 d . . .
H64A H 0.1498 -0.3203 0.0802 0.102 Uiso 1 1 calc R . .
H64B H 0.1564 -0.2376 0.0857 0.102 Uiso 1 1 calc R . .
H64C H 0.1486 -0.2715 0.1451 0.102 Uiso 1 1 calc R . .
C65 C 0.4609(7) -0.2239(6) 0.1144(5) 0.079(4) Uani 1 1 d . . .
H65A H 0.4876 -0.2619 0.1071 0.118 Uiso 1 1 calc R . .
H65B H 0.5034 -0.1772 0.1165 0.118 Uiso 1 1 calc R . .
H65C H 0.4114 -0.2337 0.0801 0.118 Uiso 1 1 calc R . .
C66 C 0.5782(5) -0.0312(5) 0.2902(5) 0.061(3) Uani 1 1 d . . .
H66A H 0.6375 -0.0322 0.3016 0.091 Uiso 1 1 calc R . .
H66B H 0.5546 -0.0243 0.3277 0.091 Uiso 1 1 calc R . .
H66C H 0.5785 0.0087 0.2699 0.091 Uiso 1 1 calc R . .
C67 C 0.4078(5) 0.3013(4) 0.3140(3) 0.0308(19) Uani 1 1 d . . .
C68 C 0.4947(5) 0.3136(4) 0.3287(4) 0.037(2) Uani 1 1 d . . .
H68A H 0.5169 0.2760 0.3362 0.044 Uiso 1 1 calc R . .
C69 C 0.5504(5) 0.3821(5) 0.3325(4) 0.037(2) Uani 1 1 d . . .
C70 C 0.5166(5) 0.4366(4) 0.3235(4) 0.034(2) Uani 1 1 d . . .
C71 C 0.4274(5) 0.4228(4) 0.3089(4) 0.034(2) Uani 1 1 d . . .
C72 C 0.3708(5) 0.3543(4) 0.3033(4) 0.034(2) Uani 1 1 d . . .
H72A H 0.3099 0.3439 0.2927 0.041 Uiso 1 1 calc R . .
C73 C 0.6762(5) 0.3465(5) 0.3493(5) 0.061(3) Uani 1 1 d . . .
H73A H 0.7393 0.3675 0.3575 0.092 Uiso 1 1 calc R . .
H73B H 0.6562 0.3090 0.3106 0.092 Uiso 1 1 calc R . .
H73C H 0.6594 0.3254 0.3838 0.092 Uiso 1 1 calc R . .
C74 C 0.5917(6) 0.5236(5) 0.2751(5) 0.067(3) Uani 1 1 d . . .
H74A H 0.6315 0.5731 0.2848 0.100 Uiso 1 1 calc R . .
H74B H 0.5383 0.5200 0.2468 0.100 Uiso 1 1 calc R . .
H74C H 0.6191 0.4905 0.2551 0.100 Uiso 1 1 calc R . .
C75 C 0.3124(6) 0.4694(5) 0.2828(5) 0.064(3) Uani 1 1 d . . .
H75A H 0.3033 0.5151 0.2788 0.096 Uiso 1 1 calc R . .
H75B H 0.2830 0.4512 0.3145 0.096 Uiso 1 1 calc R . .
H75C H 0.2889 0.4341 0.2427 0.096 Uiso 1 1 calc R . .
C76 C 0.1188(5) 0.2853(4) 0.3735(4) 0.034(2) Uani 1 1 d . . .
C77 C 0.1915(5) 0.3450(4) 0.3947(4) 0.039(2) Uani 1 1 d . . .
H77A H 0.2469 0.3417 0.3910 0.046 Uiso 1 1 calc R . .
C78 C 0.1826(5) 0.4100(4) 0.4215(4) 0.037(2) Uani 1 1 d . . .
C79 C 0.1015(6) 0.4139(5) 0.4285(4) 0.042(2) Uani 1 1 d . . .
C80 C 0.0283(5) 0.3524(5) 0.4068(4) 0.038(2) Uani 1 1 d . . .
C81 C 0.0354(5) 0.2869(4) 0.3788(3) 0.0310(19) Uani 1 1 d . . .
H81A H -0.0139 0.2449 0.3639 0.037 Uiso 1 1 calc R . .
C82 C 0.3355(5) 0.4738(5) 0.4539(4) 0.059(3) Uani 1 1 d . . .
H82A H 0.3744 0.5236 0.4677 0.088 Uiso 1 1 calc R . .
H82B H 0.3487 0.4499 0.4160 0.088 Uiso 1 1 calc R . .
H82C H 0.3435 0.4480 0.4867 0.088 Uiso 1 1 calc R . .
C83 C 0.1292(6) 0.5111(5) 0.5147(4) 0.061(3) Uani 1 1 d . . .
H83A H 0.1159 0.5560 0.5268 0.092 Uiso 1 1 calc R . .
H83B H 0.1919 0.5220 0.5196 0.092 Uiso 1 1 calc R . .
H83C H 0.1080 0.4788 0.5413 0.092 Uiso 1 1 calc R . .
C84 C -0.1216(5) 0.2971(5) 0.4018(4) 0.051(2) Uani 1 1 d . . .
H84A H -0.1724 0.3101 0.4104 0.076 Uiso 1 1 calc R . .
H84B H -0.1106 0.2640 0.4272 0.076 Uiso 1 1 calc R . .
H84C H -0.1322 0.2736 0.3576 0.076 Uiso 1 1 calc R . .
C85 C -0.1049(5) -0.1453(5) 0.3533(4) 0.035(2) Uani 1 1 d . . .
C86 C -0.1633(5) -0.1193(5) 0.3806(4) 0.037(2) Uani 1 1 d . . .
H86A H -0.1468 -0.0711 0.4045 0.045 Uiso 1 1 calc R . .
C87 C -0.2472(5) -0.1663(5) 0.3717(4) 0.037(2) Uani 1 1 d . . .
C88 C -0.2688(5) -0.2365(5) 0.3373(4) 0.040(2) Uani 1 1 d . . .
C89 C -0.2078(5) -0.2609(5) 0.3113(4) 0.038(2) Uani 1 1 d . . .
C90 C -0.1248(5) -0.2144(4) 0.3198(4) 0.034(2) Uani 1 1 d . . .
H90A H -0.0823 -0.2302 0.3026 0.041 Uiso 1 1 calc R . .
C91 C -0.2906(6) -0.0729(5) 0.4284(4) 0.056(3) Uani 1 1 d . . .
H91A H -0.3419 -0.0661 0.4425 0.085 Uiso 1 1 calc R . .
H91B H -0.2734 -0.0409 0.4006 0.085 Uiso 1 1 calc R . .
H91C H -0.2431 -0.0615 0.4644 0.085 Uiso 1 1 calc R . .
C92 C -0.4092(6) -0.2877(6) 0.2762(5) 0.073(3) Uani 1 1 d . . .
H92A H -0.4663 -0.3215 0.2747 0.109 Uiso 1 1 calc R . .
H92B H -0.3871 -0.3047 0.2400 0.109 Uiso 1 1 calc R . .
H92C H -0.4143 -0.2399 0.2756 0.109 Uiso 1 1 calc R . .
C93 C -0.1749(6) -0.3615(5) 0.2587(4) 0.057(3) Uani 1 1 d . . .
H93A H -0.2040 -0.4122 0.2371 0.086 Uiso 1 1 calc R . .
H93B H -0.1303 -0.3584 0.2944 0.086 Uiso 1 1 calc R . .
H93C H -0.1480 -0.3350 0.2300 0.086 Uiso 1 1 calc R . .
C94 C 0.2357(5) -0.1819(4) 0.3204(4) 0.0325(19) Uani 1 1 d . . .
C95 C 0.1687(5) -0.2412(4) 0.2844(4) 0.037(2) Uani 1 1 d . . .
H95A H 0.1116 -0.2391 0.2739 0.044 Uiso 1 1 calc R . .
C96 C 0.1881(5) -0.3037(4) 0.2642(4) 0.034(2) Uani 1 1 d . . .
C97 C 0.2721(5) -0.3050(4) 0.2808(4) 0.038(2) Uani 1 1 d . . .
C98 C 0.3373(5) -0.2442(4) 0.3195(4) 0.035(2) Uani 1 1 d . . .
C99 C 0.3184(5) -0.1824(4) 0.3393(4) 0.036(2) Uani 1 1 d . . .
H99A H 0.3616 -0.1408 0.3656 0.043 Uiso 1 1 calc R . .
C100 C 0.0417(6) -0.3719(5) 0.2218(5) 0.067(3) Uani 1 1 d . . .
H10A H 0.0066 -0.4185 0.1940 0.100 Uiso 1 1 calc R . .
H10B H 0.0299 -0.3329 0.2047 0.100 Uiso 1 1 calc R . .
H10C H 0.0273 -0.3693 0.2630 0.100 Uiso 1 1 calc R . .
C101 C 0.3201(7) -0.3736(6) 0.2072(5) 0.079(4) Uani 1 1 d . . .
H10D H 0.3321 -0.4193 0.1969 0.119 Uiso 1 1 calc R . .
H10E H 0.3731 -0.3334 0.2118 0.119 Uiso 1 1 calc R . .
H10F H 0.2754 -0.3720 0.1737 0.119 Uiso 1 1 calc R . .
C102 C 0.4822(5) -0.1935(5) 0.3757(4) 0.050(2) Uani 1 1 d . . .
H10G H 0.5351 -0.2067 0.3838 0.075 Uiso 1 1 calc R . .
H10H H 0.4649 -0.1802 0.4151 0.075 Uiso 1 1 calc R . .
H10I H 0.4932 -0.1525 0.3561 0.075 Uiso 1 1 calc R . .
C103 C 0.4285(5) 0.1793(4) 0.4452(4) 0.0325(19) Uani 1 1 d . . .
C104 C 0.4987(5) 0.1664(4) 0.4242(4) 0.036(2) Uani 1 1 d . . .
H10J H 0.4925 0.1221 0.3966 0.043 Uiso 1 1 calc R . .
C105 C 0.5780(5) 0.2197(4) 0.4446(4) 0.0326(19) Uani 1 1 d . . .
C106 C 0.5860(5) 0.2844(4) 0.4836(4) 0.0339(19) Uani 1 1 d . . .
C107 C 0.5141(5) 0.2971(4) 0.5036(4) 0.036(2) Uani 1 1 d . . .
C108 C 0.4340(5) 0.2431(4) 0.4845(4) 0.038(2) Uani 1 1 d . . .
H10K H 0.3845 0.2501 0.4981 0.045 Uiso 1 1 calc R . .
C109 C 0.6456(6) 0.1496(5) 0.3837(4) 0.054(3) Uani 1 1 d . . .
H10L H 0.7029 0.1517 0.3755 0.081 Uiso 1 1 calc R . .
H10M H 0.6063 0.1457 0.3448 0.081 Uiso 1 1 calc R . .
H10N H 0.6229 0.1075 0.4005 0.081 Uiso 1 1 calc R . .
C110 C 0.7114(5) 0.3434(5) 0.5601(5) 0.062(3) Uani 1 1 d . . .
H11A H 0.7660 0.3833 0.5698 0.093 Uiso 1 1 calc R . .
H11B H 0.7236 0.2981 0.5604 0.093 Uiso 1 1 calc R . .
H11C H 0.6773 0.3518 0.5914 0.093 Uiso 1 1 calc R . .
C111 C 0.4628(7) 0.3729(5) 0.5724(5) 0.087(4) Uani 1 1 d . . .
H11D H 0.4825 0.4221 0.5985 0.130 Uiso 1 1 calc R . .
H11E H 0.4492 0.3382 0.5984 0.130 Uiso 1 1 calc R . .
H11F H 0.4109 0.3663 0.5412 0.130 Uiso 1 1 calc R . .
C112 C 0.0685(5) 0.1813(4) 0.4976(4) 0.0323(19) Uani 1 1 d . . .
C113 C 0.1295(5) 0.2487(4) 0.5260(4) 0.033(2) Uani 1 1 d . . .
H11G H 0.1877 0.2595 0.5212 0.039 Uiso 1 1 calc R . .
C114 C 0.1021(5) 0.2993(5) 0.5614(4) 0.037(2) Uani 1 1 d . . .
C115 C 0.0169(5) 0.2817(5) 0.5692(4) 0.037(2) Uani 1 1 d . . .
C116 C -0.0418(5) 0.2138(5) 0.5401(4) 0.034(2) Uani 1 1 d . . .
C117 C -0.0170(5) 0.1624(4) 0.5041(4) 0.0329(19) Uani 1 1 d . . .
H11H H -0.0568 0.1159 0.4846 0.039 Uiso 1 1 calc R . .
C118 C 0.2415(5) 0.3879(5) 0.5853(4) 0.047(2) Uani 1 1 d . . .
H11I H 0.2715 0.4378 0.6084 0.071 Uiso 1 1 calc R . .
H11J H 0.2440 0.3837 0.5412 0.071 Uiso 1 1 calc R . .
H11K H 0.2696 0.3560 0.6021 0.071 Uiso 1 1 calc R . .
C119 C -0.0501(7) 0.3721(6) 0.5740(5) 0.086(4) Uani 1 1 d . . .
H11L H -0.0653 0.4066 0.6038 0.129 Uiso 1 1 calc R . .
H11M H -0.1029 0.3389 0.5453 0.129 Uiso 1 1 calc R . .
H11N H -0.0116 0.3982 0.5504 0.129 Uiso 1 1 calc R . .
C120 C -0.1900(5) 0.1388(5) 0.5138(4) 0.049(2) Uani 1 1 d . . .
H12A H -0.2453 0.1376 0.5255 0.074 Uiso 1 1 calc R . .
H12B H -0.1752 0.0964 0.5217 0.074 Uiso 1 1 calc R . .
H12C H -0.1950 0.1385 0.4695 0.074 Uiso 1 1 calc R . .
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'
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'
P P 0.1023 0.0942 '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'
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
C1 Rh1 C3 162.9(3) . .
C1 Rh1 C4 86.5(3) . .
C3 Rh1 C4 90.7(3) . .
C1 Rh1 C2 86.9(3) . .
C3 Rh1 C2 93.9(3) . .
C4 Rh1 C2 171.4(3) . .
C1 Rh1 Rh2 95.3(2) . .
C3 Rh1 Rh2 101.8(2) . .
C4 Rh1 Rh2 99.3(2) . .
C2 Rh1 Rh2 86.8(2) . .
C7 Rh2 C8 82.1(3) . .
C7 Rh2 C5 173.0(3) . .
C8 Rh2 C5 98.8(3) . .
C7 Rh2 C6 93.3(3) . .
C8 Rh2 C6 173.6(3) . .
C5 Rh2 C6 86.4(3) . .
C7 Rh2 Rh1 85.0(2) . .
C8 Rh2 Rh1 83.7(2) . .
C5 Rh2 Rh1 88.2(2) . .
C6 Rh2 Rh1 100.3(2) . .
C7 Rh2 Rh3 114.8(2) . .
C8 Rh2 Rh3 91.9(2) . .
C5 Rh2 Rh3 72.2(2) . .
C6 Rh2 Rh3 86.1(2) . .
Rh1 Rh2 Rh3 159.01(3) . .
C9 Rh3 C12 89.6(3) . .
C9 Rh3 C11 175.9(3) . .
C12 Rh3 C11 90.0(3) . .
C9 Rh3 C10 86.8(3) . .
C12 Rh3 C10 170.3(3) . .
C11 Rh3 C10 93.0(3) . .
C9 Rh3 Rh2 111.4(2) . .
C12 Rh3 Rh2 91.9(2) . .
C11 Rh3 Rh2 72.6(2) . .
C10 Rh3 Rh2 97.8(2) . .
F2 P1 F2 180.0(5) 2_676 .
F2 P1 F3 89.0(3) 2_676 2_676
F2 P1 F3 91.0(3) . 2_676
F2 P1 F3 91.0(3) 2_676 .
F2 P1 F3 89.0(3) . .
F3 P1 F3 179.998(2) 2_676 .
F2 P1 F1 89.6(3) 2_676 .
F2 P1 F1 90.4(3) . .
F3 P1 F1 89.3(3) 2_676 .
F3 P1 F1 90.7(3) . .
F2 P1 F1 90.4(3) 2_676 2_676
F2 P1 F1 89.6(3) . 2_676
F3 P1 F1 90.7(3) 2_676 2_676
F3 P1 F1 89.3(3) . 2_676
F1 P1 F1 179.996(3) . 2_676
F5 P2 F5 179.997(3) . 2_565
F5 P2 F6 89.1(9) . .
F5 P2 F6 90.9(9) 2_565 .
F5 P2 F6 90.9(9) . 2_565
F5 P2 F6 89.1(9) 2_565 2_565
F6 P2 F6 179.998(2) . 2_565
F5 P2 F4 106.1(14) . .
F5 P2 F4 73.9(14) 2_565 .
F6 P2 F4 97.3(10) . .
F6 P2 F4 82.7(10) 2_565 .
F5 P2 F4 73.9(14) . 2_565
F5 P2 F4 106.1(14) 2_565 2_565
F6 P2 F4 82.7(10) . 2_565
F6 P2 F4 97.3(10) 2_565 2_565
F4 P2 F4 180.0(18) . 2_565
F5 P2 F4' 123.2(12) . .
F5 P2 F4' 56.8(12) 2_565 .
F6 P2 F4' 102.7(9) . .
F6 P2 F4' 77.3(9) 2_565 .
F4 P2 F4' 126.4(10) . .
F4 P2 F4' 53.6(10) 2_565 .
F5 P2 F4' 56.8(12) . 2_565
F5 P2 F4' 123.2(12) 2_565 2_565
F6 P2 F4' 77.3(9) . 2_565
F6 P2 F4' 102.7(9) 2_565 2_565
F4 P2 F4' 53.6(10) . 2_565
F4 P2 F4' 126.4(10) 2_565 2_565
F4' P2 F4' 179.998(4) . 2_565
F10 P3 F7 90.3(6) . .
F10 P3 F12 87.8(5) . .
F7 P3 F12 89.0(5) . .
F10 P3 F8 179.0(7) . .
F7 P3 F8 90.6(6) . .
F12 P3 F8 91.9(5) . .
F10 P3 F9 92.5(6) . .
F7 P3 F9 176.8(5) . .
F12 P3 F9 92.6(5) . .
F8 P3 F9 86.6(6) . .
F10 P3 F11 91.3(5) . .
F7 P3 F11 93.2(5) . .
F12 P3 F11 177.6(5) . .
F8 P3 F11 89.0(5) . .
F9 P3 F11 85.2(4) . .
F13 P4 F16 91.0(4) . .
F13 P4 F15 178.5(5) . .
F16 P4 F15 90.2(4) . .
F13 P4 F14 89.5(5) . .
F16 P4 F14 179.3(4) . .
F15 P4 F14 89.2(4) . .
F13 P4 F17 89.5(3) . .
F16 P4 F17 90.7(3) . .
F15 P4 F17 89.7(3) . .
F14 P4 F17 89.8(3) . .
F13 P4 F18 91.2(3) . .
F16 P4 F18 90.2(3) . .
F15 P4 F18 89.6(3) . .
F14 P4 F18 89.4(3) . .
F17 P4 F18 178.9(4) . .
N1 C1 Rh1 176.2(8) . .
N2 C2 Rh1 171.5(8) . .
N3 C3 Rh1 169.6(8) . .
N4 C4 Rh1 175.7(8) . .
N5 C5 Rh2 170.3(7) . .
N6 C6 Rh2 175.1(7) . .
N7 C7 Rh2 172.4(6) . .
N8 C8 Rh2 168.7(7) . .
N9 C9 Rh3 177.8(7) . .
N10 C10 Rh3 172.7(7) . .
N11 C11 Rh3 177.1(7) . .
N12 C12 Rh3 176.2(7) . .
C1 N1 C13 174.0(9) . .
C2 N2 C22 177.6(9) . .
C3 N3 C31 172.1(9) . .
C4 N4 C40 174.6(9) . .
C5 N5 C49 175.0(8) . .
C6 N6 C58 177.0(8) . .
C7 N7 C67 170.2(7) . .
C8 N8 C76 173.6(8) . .
C9 N9 C85 175.2(8) . .
C10 N10 C94 178.7(8) . .
C11 N11 C103 177.6(8) . .
C12 N12 C112 179.4(8) . .
C15 O1 C19 116.8(7) . .
C16 O2 C20 114.1(8) . .
C17 O3 C21 117.0(7) . .
C24 O4 C28 118.5(8) . .
C25 O5 C29 117.4(7) . .
C26 O6 C30 117.6(7) . .
C33 O7 C37 119.2(9) . .
C34 O8 C38 111.8(13) . .
C34 O8 C38' 118(2) . .
C38 O8 C38' 130(2) . .
C35 O9 C39 118.6(11) . .
C42 O10 C46 118.5(7) . .
C47 O11 C43 122.7(12) . .
C44 O12 C48 117.1(7) . .
C51 O13 C55 117.5(7) . .
C52 O14 C56 117.4(7) . .
C53 O15 C57 122.7(8) . .
C60 O16 C64 117.4(7) . .
C61 O17 C65 113.3(7) . .
C62 O18 C66 118.0(6) . .
C69 O19 C73 117.7(6) . .
C70 O20 C74 115.3(7) . .
C71 O21 C75 117.7(7) . .
C78 O22 C82 119.7(7) . .
C79 O23 C83 115.8(7) . .
C80 O24 C84 117.3(6) . .
C87 O25 C91 117.9(6) . .
C88 O26 C92 112.6(6) . .
C89 O27 C93 117.7(6) . .
C96 O28 C100 116.8(7) . .
C97 O29 C101 112.3(7) . .
C98 O30 C102 116.9(6) . .
C105 O31 C109 117.3(6) . .
C106 O32 C110 112.7(6) . .
C107 O33 C111 118.7(7) . .
C114 O34 C118 117.1(6) . .
C115 O35 C119 114.0(7) . .
C116 O36 C120 118.1(6) . .
F5 F4' P2 60.0(7) 2_565 .
F4' F5 P2 63.2(8) 2_565 .
C18 C13 N1 117.4(8) . .
C18 C13 C14 124.2(9) . .
N1 C13 C14 118.4(8) . .
C15 C14 C13 117.0(9) . .
O1 C15 C14 124.6(9) . .
O1 C15 C16 115.5(8) . .
C14 C15 C16 119.9(8) . .
C17 C16 O2 120.3(9) . .
C17 C16 C15 120.7(9) . .
O2 C16 C15 119.0(8) . .
C18 C17 O3 123.2(8) . .
C18 C17 C16 120.7(9) . .
O3 C17 C16 116.1(8) . .
C17 C18 C13 117.5(9) . .
C27 C22 C23 121.7(8) . .
C27 C22 N2 121.5(8) . .
C23 C22 N2 116.8(8) . .
C22 C23 C24 119.1(9) . .
O4 C24 C23 116.9(9) . .
O4 C24 C25 122.4(9) . .
C23 C24 C25 120.3(9) . .
O5 C25 C24 119.1(8) . .
O5 C25 C26 121.8(8) . .
C24 C25 C26 118.8(8) . .
O6 C26 C27 123.6(9) . .
O6 C26 C25 115.4(8) . .
C27 C26 C25 121.0(8) . .
C22 C27 C26 119.1(9) . .
C32 C31 N3 119.1(9) . .
C32 C31 C36 123.6(10) . .
N3 C31 C36 117.3(9) . .
C31 C32 C33 116.4(10) . .
O7 C33 C34 116.9(10) . .
O7 C33 C32 121.7(11) . .
C34 C33 C32 121.4(10) . .
O8 C34 C33 120.0(12) . .
O8 C34 C35 120.0(12) . .
C33 C34 C35 119.8(11) . .
O9 C35 C36 123.2(12) . .
O9 C35 C34 115.9(12) . .
C36 C35 C34 120.8(11) . .
C35 C36 C31 117.8(11) . .
C45 C40 C41 124.3(7) . .
C45 C40 N4 117.4(8) . .
C41 C40 N4 118.3(7) . .
C40 C41 C42 117.5(8) . .
O10 C42 C43 118.2(8) . .
O10 C42 C41 122.3(8) . .
C43 C42 C41 119.5(8) . .
C42 C43 C44 120.9(8) . .
C42 C43 O11 120.3(9) . .
C44 C43 O11 118.4(8) . .
O12 C44 C43 115.4(8) . .
O12 C44 C45 123.7(9) . .
C43 C44 C45 120.8(8) . .
C40 C45 C44 117.0(8) . .
C54 C49 C50 122.5(8) . .
C54 C49 N5 117.3(7) . .
C50 C49 N5 120.2(7) . .
C49 C50 C51 117.8(8) . .
O13 C51 C50 123.7(8) . .
O13 C51 C52 114.9(7) . .
C50 C51 C52 121.3(8) . .
O14 C52 C53 119.1(8) . .
O14 C52 C51 121.0(8) . .
C53 C52 C51 119.2(8) . .
O15 C53 C52 126.5(9) . .
O15 C53 C54 112.7(8) . .
C52 C53 C54 120.8(8) . .
C49 C54 C53 118.4(8) . .
C59 C58 C63 123.5(7) . .
C59 C58 N6 118.4(7) . .
C63 C58 N6 118.2(8) . .
C60 C59 C58 118.6(8) . .
O16 C60 C59 123.5(8) . .
O16 C60 C61 116.7(7) . .
C59 C60 C61 119.8(8) . .
O17 C61 C62 119.3(7) . .
O17 C61 C60 119.7(8) . .
C62 C61 C60 120.7(7) . .
O18 C62 C61 115.9(7) . .
O18 C62 C63 123.8(8) . .
C61 C62 C63 120.2(7) . .
C58 C63 C62 117.2(8) . .
C68 C67 C72 123.6(7) . .
C68 C67 N7 120.5(7) . .
C72 C67 N7 115.9(7) . .
C67 C68 C69 118.7(8) . .
O19 C69 C70 115.1(7) . .
O19 C69 C68 125.3(7) . .
C70 C69 C68 119.6(7) . .
O20 C70 C69 119.3(7) . .
O20 C70 C71 120.1(7) . .
C69 C70 C71 120.6(7) . .
O21 C71 C72 124.4(7) . .
O21 C71 C70 114.9(7) . .
C72 C71 C70 120.6(7) . .
C71 C72 C67 116.8(7) . .
C77 C76 N8 119.0(7) . .
C77 C76 C81 123.0(8) . .
N8 C76 C81 118.0(7) . .
C76 C77 C78 118.9(8) . .
O22 C78 C77 125.1(7) . .
O22 C78 C79 114.7(7) . .
C77 C78 C79 120.2(8) . .
O23 C79 C78 122.5(8) . .
O23 C79 C80 117.3(7) . .
C78 C79 C80 120.0(8) . .
O24 C80 C81 122.8(8) . .
O24 C80 C79 116.2(7) . .
C81 C80 C79 120.9(8) . .
C80 C81 C76 117.0(8) . .
C90 C85 C86 123.4(7) . .
C90 C85 N9 119.7(7) . .
C86 C85 N9 116.9(7) . .
C85 C86 C87 117.6(8) . .
O25 C87 C88 117.2(7) . .
O25 C87 C86 123.1(8) . .
C88 C87 C86 119.7(7) . .
O26 C88 C87 118.7(7) . .
O26 C88 C89 120.3(8) . .
C87 C88 C89 120.9(7) . .
O27 C89 C90 125.5(7) . .
O27 C89 C88 115.0(7) . .
C90 C89 C88 119.5(8) . .
C85 C90 C89 118.9(8) . .
C99 C94 C95 124.0(7) . .
C99 C94 N10 118.7(7) . .
C95 C94 N10 117.3(7) . .
C94 C95 C96 117.4(7) . .
O28 C96 C95 124.6(7) . .
O28 C96 C97 115.6(7) . .
C95 C96 C97 119.8(8) . .
O29 C97 C96 119.9(8) . .
O29 C97 C98 119.1(7) . .
C96 C97 C98 120.7(7) . .
O30 C98 C99 125.3(7) . .
O30 C98 C97 115.1(7) . .
C99 C98 C97 119.5(7) . .
C98 C99 C94 118.5(8) . .
C108 C103 C104 123.1(7) . .
C108 C103 N11 117.5(7) . .
C104 C103 N11 119.5(7) . .
C105 C104 C103 118.0(8) . .
O31 C105 C106 115.6(7) . .
O31 C105 C104 123.8(7) . .
C106 C105 C104 120.5(7) . .
C105 C106 O32 120.2(7) . .
C105 C106 C107 120.7(7) . .
O32 C106 C107 118.9(7) . .
O33 C107 C108 124.5(7) . .
O33 C107 C106 116.2(7) . .
C108 C107 C106 119.3(8) . .
C103 C108 C107 118.3(7) . .
N12 C112 C117 119.0(7) . .
N12 C112 C113 117.7(7) . .
C117 C112 C113 123.3(7) . .
C114 C113 C112 117.8(7) . .
O34 C114 C113 124.8(7) . .
O34 C114 C115 115.0(7) . .
C113 C114 C115 120.2(8) . .
O35 C115 C116 121.2(7) . .
O35 C115 C114 118.6(8) . .
C116 C115 C114 120.2(7) . .
O36 C116 C117 123.4(8) . .
O36 C116 C115 115.4(7) . .
C117 C116 C115 121.2(7) . .
C116 C117 C112 117.4(8) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh1 C1 1.956(10) .
Rh1 C3 1.960(10) .
Rh1 C4 1.961(9) .
Rh1 C2 1.973(9) .
Rh1 Rh2 3.1090(9) .
Rh2 C7 1.970(8) .
Rh2 C8 1.978(8) .
Rh2 C5 1.982(8) .
Rh2 C6 1.985(7) .
Rh2 Rh3 3.1664(9) .
Rh3 C9 1.953(8) .
Rh3 C12 1.968(8) .
Rh3 C11 1.969(9) .
Rh3 C10 1.970(8) .
P1 F2 1.569(5) 2_676
P1 F2 1.569(5) .
P1 F3 1.570(5) 2_676
P1 F3 1.570(5) .
P1 F1 1.577(5) .
P1 F1 1.577(5) 2_676
P2 F5 1.564(9) .
P2 F5 1.564(9) 2_565
P2 F6 1.574(8) .
P2 F6 1.574(8) 2_565
P2 F4 1.587(9) .
P2 F4 1.587(9) 2_565
P2 F4' 1.611(9) .
P2 F4' 1.611(9) 2_565
P3 F10 1.486(6) .
P3 F7 1.499(7) .
P3 F12 1.520(6) .
P3 F8 1.526(7) .
P3 F9 1.545(7) .
P3 F11 1.548(6) .
P4 F13 1.565(6) .
P4 F16 1.571(6) .
P4 F15 1.572(5) .
P4 F14 1.582(6) .
P4 F17 1.594(5) .
P4 F18 1.597(6) .
C1 N1 1.150(10) .
C2 N2 1.144(10) .
C3 N3 1.147(10) .
C4 N4 1.141(9) .
C5 N5 1.148(9) .
C6 N6 1.145(8) .
C7 N7 1.153(9) .
C8 N8 1.148(9) .
C9 N9 1.146(9) .
C10 N10 1.155(9) .
C11 N11 1.151(9) .
C12 N12 1.155(9) .
N1 C13 1.391(11) .
N2 C22 1.390(10) .
N3 C31 1.393(11) .
N4 C40 1.418(9) .
N5 C49 1.398(10) .
N6 C58 1.400(9) .
N7 C67 1.405(9) .
N8 C76 1.404(9) .
N9 C85 1.402(9) .
N10 C94 1.401(9) .
N11 C103 1.387(9) .
N12 C112 1.385(9) .
O1 C15 1.353(10) .
O1 C19 1.431(10) .
O2 C16 1.380(10) .
O2 C20 1.391(11) .
O3 C17 1.368(9) .
O3 C21 1.438(10) .
O4 C24 1.383(10) .
O4 C28 1.428(11) .
O5 C25 1.363(9) .
O5 C29 1.453(11) .
O6 C26 1.349(9) .
O6 C30 1.431(10) .
O7 C33 1.362(12) .
O7 C37 1.409(13) .
O8 C34 1.367(12) .
O8 C38 1.47(3) .
O8 C38' 1.64(4) .
O9 C35 1.361(13) .
O9 C39 1.443(16) .
O10 C42 1.348(10) .
O10 C46 1.432(9) .
O11 C47 1.250(14) .
O11 C43 1.401(11) .
O12 C44 1.369(10) .
O12 C48 1.425(11) .
O13 C51 1.349(9) .
O13 C55 1.431(10) .
O14 C52 1.360(9) .
O14 C56 1.431(11) .
O15 C53 1.356(10) .
O15 C57 1.385(11) .
O16 C60 1.360(9) .
O16 C64 1.396(10) .
O17 C61 1.371(9) .
O17 C65 1.434(10) .
O18 C62 1.360(9) .
O18 C66 1.420(10) .
O19 C69 1.354(9) .
O19 C73 1.422(10) .
O20 C70 1.374(9) .
O20 C74 1.415(10) .
O21 C71 1.361(9) .
O21 C75 1.420(10) .
O22 C78 1.352(9) .
O22 C82 1.433(10) .
O23 C79 1.368(9) .
O23 C83 1.414(10) .
O24 C80 1.358(9) .
O24 C84 1.427(9) .
O25 C87 1.357(9) .
O25 C91 1.442(10) .
O26 C88 1.383(9) .
O26 C92 1.430(10) .
O27 C89 1.354(9) .
O27 C93 1.423(10) .
O28 C96 1.345(9) .
O28 C100 1.422(10) .
O29 C97 1.376(9) .
O29 C101 1.419(10) .
O30 C98 1.342(8) .
O30 C102 1.430(9) .
O31 C105 1.365(8) .
O31 C109 1.429(9) .
O32 C106 1.380(9) .
O32 C110 1.417(10) .
O33 C107 1.347(9) .
O33 C111 1.413(10) .
O34 C114 1.364(9) .
O34 C118 1.426(9) .
O35 C115 1.375(9) .
O35 C119 1.438(11) .
O36 C116 1.363(8) .
O36 C120 1.427(9) .
F4' F5 1.51(3) 2_565
F5 F4' 1.51(3) 2_565
C13 C18 1.368(12) .
C13 C14 1.392(11) .
C14 C15 1.375(11) .
C15 C16 1.393(12) .
C16 C17 1.377(11) .
C17 C18 1.367(11) .
C22 C27 1.366(11) .
C22 C23 1.384(12) .
C23 C24 1.385(12) .
C24 C25 1.391(12) .
C25 C26 1.398(12) .
C26 C27 1.376(11) .
C31 C32 1.371(12) .
C31 C36 1.394(12) .
C32 C33 1.408(13) .
C33 C34 1.373(15) .
C34 C35 1.383(15) .
C35 C36 1.373(14) .
C40 C45 1.367(11) .
C40 C41 1.370(11) .
C41 C42 1.395(11) .
C42 C43 1.372(12) .
C43 C44 1.376(12) .
C44 C45 1.377(11) .
C49 C54 1.380(10) .
C49 C50 1.385(10) .
C50 C51 1.388(11) .
C51 C52 1.406(11) .
C52 C53 1.368(11) .
C53 C54 1.408(11) .
C58 C59 1.377(11) .
C58 C63 1.384(10) .
C59 C60 1.373(11) .
C60 C61 1.397(11) .
C61 C62 1.379(11) .
C62 C63 1.400(10) .
C67 C68 1.362(10) .
C67 C72 1.397(10) .
C68 C69 1.391(10) .
C69 C70 1.383(10) .
C70 C71 1.393(10) .
C71 C72 1.388(10) .
C76 C77 1.376(11) .
C76 C81 1.408(10) .
C77 C78 1.381(10) .
C78 C79 1.393(11) .
C79 C80 1.400(11) .
C80 C81 1.387(10) .
C85 C90 1.364(10) .
C85 C86 1.382(10) .
C86 C87 1.395(10) .
C87 C88 1.386(11) .
C88 C89 1.390(11) .
C89 C90 1.380(10) .
C94 C99 1.370(10) .
C94 C95 1.383(10) .
C95 C96 1.386(10) .
C96 C97 1.389(10) .
C97 C98 1.405(11) .
C98 C99 1.368(10) .
C103 C108 1.380(10) .
C103 C104 1.383(10) .
C104 C105 1.380(10) .
C105 C106 1.379(10) .
C106 C107 1.399(10) .
C107 C108 1.392(10) .
C112 C117 1.390(10) .
C112 C113 1.396(10) .
C113 C114 1.387(10) .
C114 C115 1.394(10) .
C115 C116 1.392(11) .
C116 C117 1.380(10) .
