#------------------------------------------------------------------------------
#$Date: 2016-03-22 10:34:49 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178876 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/05/4110592.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_4110592
loop_
_publ_author_name
'Simon K. Brayshaw'
'Michael J. Ingleson'
'Jennifer C. Green'
'J. Scott McIndoe'
'Paul R. Raithby'
'Gabriele Kociok-Köhn'
'Andrew S. Weller'
_publ_contact_author_address
;Department of Chemistry
University of Bath
Bath, BA2 7AY
United Kingdom
;
_publ_contact_author_email       a.s.weller@bath.ac.uk
_publ_contact_author_fax         '44 1225 82 6231'
_publ_contact_author_name        'Andrew S.Weller'
_publ_contact_author_phone       '44 1225 38 3394'
_publ_section_title
;
 High Hydride Count Rhodium Octahedra, [Rh6(PR3)6H12][BArF4]2: Synthesis,
 Structures, and Reversible Hydrogen Uptake under Mild Conditions
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              6247
_journal_page_last               6263
_journal_paper_doi               10.1021/ja0604663
_journal_volume                  128
_journal_year                    2006
_chemical_formula_moiety
'[(C108 H210 P6 Rh6)+2(B C32 H12 F24)-(C7 H8) 2.63(C H2 Cl2)]'
_chemical_formula_sum            'C181.63 H247.25 B2 Cl5.25 F48 P6 Rh6'
_chemical_formula_weight         4353.56
_chemical_name_common            'Compound 2a'
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 100.8210(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   69.5388(4)
_cell_length_b                   20.44640(10)
_cell_length_c                   27.8999(2)
_cell_measurement_reflns_used    402949
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      30.034
_cell_measurement_theta_min      2.910
_cell_volume                     38963.2(4)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection
'Collect, Nonius program suite version 1.9 (1997)'
_computing_data_reduction
'Denzo and Scalepack (Otwinowski & Minor, 1997)'
_computing_molecular_graphics
'ORTEP3 for Windows - L. J. Farrugia, J. Appl. Crystallogr. 1997, 30, 565'
_computing_publication_material  'SHELX97-2, G. M. Sheldrick'
_computing_structure_refinement
;
 SHELX97-2 Program for Crystal Structure Analysis. G. M. Sheldrick,
 Institut f. Anorg. Chemie der Universität, Tammanstrasse 4, 
 D-3400 Göttingen, Germany, 1998.
;
_computing_structure_solution
; 
 SIR97- Altomare A., Burla M.C., Camalli M., Cascarano G.L., Giacovazzo C. , 
 Guagliardi A., Moliterni A.G.G., Polidori G.,Spagna R. 
 (1999) J. Appl. Cryst. 32, 115-119.
;
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Nonius Kappa CCD'
_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  0.0601
_diffrn_reflns_av_sigmaI/netI    0.0563
_diffrn_reflns_limit_h_max       97
_diffrn_reflns_limit_h_min       -97
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            286379
_diffrn_reflns_theta_full        30.07
_diffrn_reflns_theta_max         30.07
_diffrn_reflns_theta_min         3.54
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.712
_exptl_absorpt_correction_T_max  0.9322
_exptl_absorpt_correction_T_min  0.7637
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
multi-scan from symmetry-related measurements 
 Sortav (Blessing 1995)
;
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    1.484
_exptl_crystal_description       tabloid
_exptl_crystal_F_000             17826
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.533
_refine_diff_density_min         -1.157
_refine_diff_density_rms         0.107
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2347
_refine_ls_number_reflns         56646
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.1050
_refine_ls_R_factor_gt           0.0509
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0498P)²+203.7892P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1188
_refine_ls_wR_factor_ref         0.1452
_reflns_number_gt                33459
_reflns_number_total             56646
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja0604663si20060201_035932_3.cif
_cod_data_source_block           h05asw13
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4110592
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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 0.150160(4) 0.821558(12) 0.458763(9) 0.01837(6) Uani 1 1 d . . .
Rh2 Rh 0.150606(4) 0.687432(12) 0.458079(9) 0.01797(6) Uani 1 1 d . . .
Rh3 Rh 0.116029(4) 0.687362(12) 0.391994(9) 0.01856(6) Uani 1 1 d . . .
Rh4 Rh 0.116032(4) 0.821209(12) 0.392362(9) 0.01922(6) Uani 1 1 d . . .
Rh5 Rh 0.147746(4) 0.754599(12) 0.372956(9) 0.01785(5) Uani 1 1 d . . .
Rh6 Rh 0.118675(4) 0.752849(13) 0.477895(9) 0.01920(5) Uani 1 1 d . . .
H12 H 0.1647(8) 0.754(2) 0.481(2) 0.064(16) Uiso 1 1 d . . .
H14 H 0.1342(7) 0.878(3) 0.4264(18) 0.067(17) Uiso 1 1 d . . .
H15 H 0.1618(8) 0.818(2) 0.4060(19) 0.061(16) Uiso 1 1 d . . .
H16 H 0.1354(8) 0.817(2) 0.5015(19) 0.064(16) Uiso 1 1 d . . .
H23 H 0.1346(8) 0.634(3) 0.427(2) 0.083(19) Uiso 1 1 d . . .
H25 H 0.1623(9) 0.695(3) 0.411(2) 0.09(2) Uiso 1 1 d . . .
H26 H 0.1367(9) 0.691(3) 0.500(2) 0.082(19) Uiso 1 1 d . . .
H34 H 0.1008(7) 0.750(2) 0.3651(18) 0.050(14) Uiso 1 1 d . . .
H35 H 0.1319(8) 0.691(3) 0.344(2) 0.071(17) Uiso 1 1 d . . .
H36 H 0.1036(8) 0.694(3) 0.443(2) 0.073(17) Uiso 1 1 d . . .
H45 H 0.1309(10) 0.816(3) 0.349(2) 0.10(2) Uiso 1 1 d . . .
H46 H 0.1028(8) 0.816(3) 0.442(2) 0.074(18) Uiso 1 1 d . . .
P1 P 0.169421(13) 0.90235(4) 0.49681(3) 0.01998(17) Uani 1 1 d . . .
P2 P 0.171527(13) 0.61004(4) 0.49480(3) 0.01891(17) Uani 1 1 d . . .
P3 P 0.095425(13) 0.60910(4) 0.35511(3) 0.02051(18) Uani 1 1 d . . .
P4 P 0.096551(14) 0.90178(4) 0.35469(3) 0.02303(19) Uani 1 1 d . . .
P5 P 0.165339(12) 0.75286(4) 0.31261(3) 0.01849(16) Uani 1 1 d . . .
P6 P 0.100951(13) 0.74738(4) 0.53804(3) 0.02181(17) Uani 1 1 d . . .
F1 F 0.26101(5) 0.30865(14) 0.22929(14) 0.0754(11) Uani 1 1 d . . .
F2 F 0.26506(4) 0.40715(17) 0.25292(14) 0.0754(10) Uani 1 1 d . . .
F3 F 0.25113(5) 0.3870(2) 0.18104(13) 0.0881(12) Uani 1 1 d . . .
F4 F 0.19600(5) 0.52820(12) 0.25287(11) 0.0579(8) Uani 1 1 d . . .
F5 F 0.18389(5) 0.47876(16) 0.18590(9) 0.0670(9) Uani 1 1 d . . .
F6 F 0.17185(4) 0.46318(14) 0.25029(10) 0.0522(7) Uani 1 1 d . . .
F7 F 0.25733(6) 0.45654(19) 0.4040(2) 0.1188(18) Uani 1 1 d . . .
F8 F 0.27635(6) 0.3805(2) 0.40493(18) 0.1056(14) Uani 1 1 d . . .
F9 F 0.27240(9) 0.4214(3) 0.47034(15) 0.165(3) Uani 1 1 d . . .
F10 F 0.20515(6) 0.3310(2) 0.52634(13) 0.0981(14) Uani 1 1 d . . .
F11 F 0.21058(6) 0.2278(2) 0.52185(12) 0.0904(13) Uani 1 1 d . . .
F12 F 0.23253(5) 0.28979(17) 0.56016(10) 0.0659(9) Uani 1 1 d . . .
F13 F 0.15949(4) 0.36927(14) 0.42902(12) 0.0642(9) Uani 1 1 d . . .
F14 F 0.14852(5) 0.27712(16) 0.44890(11) 0.0700(9) Uani 1 1 d . . .
F15 F 0.13054(4) 0.33900(16) 0.39854(12) 0.0618(8) Uani 1 1 d . . .
F16 F 0.14920(5) 0.10437(12) 0.26703(10) 0.0545(7) Uani 1 1 d . . .
F17 F 0.13450(5) 0.18475(14) 0.22726(10) 0.0588(8) Uani 1 1 d . . .
F18 F 0.12379(5) 0.14212(18) 0.28798(12) 0.0775(11) Uani 1 1 d . . .
F19 F 0.25328(8) 0.0338(4) 0.4056(3) 0.254(6) Uani 1 1 d . . .
F20 F 0.22816(13) 0.0453(2) 0.42810(15) 0.181(4) Uani 1 1 d . . .
F21 F 0.23084(9) -0.02584(16) 0.38085(13) 0.1157(18) Uani 1 1 d . . .
F22 F 0.22238(6) 0.13374(14) 0.18097(10) 0.0781(11) Uani 1 1 d . . .
F23 F 0.24420(4) 0.06451(19) 0.21096(12) 0.0712(10) Uani 1 1 d . . .
F24 F 0.21440(4) 0.03670(14) 0.19543(10) 0.0525(7) Uani 1 1 d . . .
F25 F 0.06208(8) 0.3294(3) 0.35640(17) 0.146(2) Uani 1 1 d . . .
F26 F 0.08834(10) 0.2673(2) 0.35915(16) 0.133(2) Uani 1 1 d . . .
F27 F 0.08926(8) 0.3610(2) 0.3809(2) 0.1283(19) Uani 1 1 d . . .
F28 F 0.12637(6) 0.2314(5) 0.52476(17) 0.216(4) Uani 1 1 d . . .
F29 F 0.11690(10) 0.2891(3) 0.57342(17) 0.170(3) Uani 1 1 d . . .
F30 F 0.11023(6) 0.1935(3) 0.5759(2) 0.153(3) Uani 1 1 d . . .
F31 F 0.0022(2) 0.4594(3) 0.4320(4) 0.296(7) Uani 1 1 d . . .
F32 F 0.00864(9) 0.4348(4) 0.3712(4) 0.238(5) Uani 1 1 d . . .
F33 F -0.01962(6) 0.4310(3) 0.3747(3) 0.165(3) Uani 1 1 d . . .
F34 F -0.03422(9) 0.1592(3) 0.4249(3) 0.159(3) Uani 1 1 d . . .
F35 F -0.03971(7) 0.2025(3) 0.3601(2) 0.139(2) Uani 1 1 d . . .
F36 F -0.01640(7) 0.1326(3) 0.3772(3) 0.190(4) Uani 1 1 d . . .
F37 F 0.06409(8) 0.5024(3) 0.59091(19) 0.146(2) Uani 1 1 d . . .
F38 F 0.08248(7) 0.4330(3) 0.6130(4) 0.214(4) Uani 1 1 d . . .
F39 F 0.06853(11) 0.4740(3) 0.66100(16) 0.203(4) Uani 1 1 d . . .
F40 F -0.01227(5) 0.39072(19) 0.62181(13) 0.0797(11) Uani 1 1 d . . .
F41 F -0.00462(6) 0.2965(2) 0.64680(15) 0.0914(12) Uani 1 1 d . . .
F42 F 0.00730(5) 0.3779(3) 0.68943(12) 0.1105(17) Uani 1 1 d . . .
F43 F 0.04877(6) 0.0496(3) 0.67209(15) 0.146(3) Uani 1 1 d . . .
F44 F 0.02988(14) 0.1291(2) 0.67576(15) 0.196(4) Uani 1 1 d . . .
F45 F 0.01901(6) 0.0402(2) 0.65521(14) 0.1015(14) Uani 1 1 d . . .
F46 F 0.03556(7) -0.05169(16) 0.49865(14) 0.0971(13) Uani 1 1 d . . .
F47 F 0.04638(6) 0.01504(19) 0.45171(15) 0.0918(12) Uani 1 1 d . . .
F48 F 0.01592(5) 0.00856(19) 0.44936(14) 0.0916(13) Uani 1 1 d . . .
C1 C 0.16505(6) 0.98321(16) 0.46684(13) 0.0261(8) Uani 1 1 d . . .
H1 H 0.1515 0.9958 0.4706 0.031 Uiso 1 1 calc R . .
C2 C 0.16471(6) 0.98469(18) 0.41142(13) 0.0305(8) Uani 1 1 d . . .
H2A H 0.1779 0.9740 0.4051 0.037 Uiso 1 1 calc R . .
H2B H 0.1555 0.9512 0.3951 0.037 Uiso 1 1 calc R . .
C3 C 0.15848(7) 1.05242(19) 0.38998(15) 0.0366(9) Uani 1 1 d . . .
H3A H 0.1590 1.0528 0.3548 0.044 Uiso 1 1 calc R . .
H3B H 0.1448 1.0612 0.3934 0.044 Uiso 1 1 calc R . .
C4 C 0.17179(7) 1.1062(2) 0.41586(17) 0.0447(11) Uani 1 1 d . . .
H4A H 0.1852 1.0999 0.4098 0.054 Uiso 1 1 calc R . .
H4B H 0.1670 1.1494 0.4024 0.054 Uiso 1 1 calc R . .
C5 C 0.17211(8) 1.10523(19) 0.47019(16) 0.0452(11) Uani 1 1 d . . .
H5A H 0.1589 1.1157 0.4763 0.054 Uiso 1 1 calc R . .
H5B H 0.1813 1.1392 0.4862 0.054 Uiso 1 1 calc R . .
C6 C 0.17848(7) 1.03831(17) 0.49247(15) 0.0359(9) Uani 1 1 d . . .
H6A H 0.1780 1.0387 0.5277 0.043 Uiso 1 1 calc R . .
H6B H 0.1922 1.0296 0.4892 0.043 Uiso 1 1 calc R . .
C7 C 0.19590(5) 0.88078(16) 0.50667(12) 0.0218(7) Uani 1 1 d . . .
H7 H 0.1966 0.8338 0.5168 0.026 Uiso 1 1 calc R . .
C8 C 0.20385(5) 0.88303(19) 0.45903(13) 0.0276(8) Uani 1 1 d . . .
H8A H 0.1951 0.8575 0.4337 0.033 Uiso 1 1 calc R . .
H8B H 0.2039 0.9289 0.4476 0.033 Uiso 1 1 calc R . .
C9 C 0.22452(5) 0.8556(2) 0.46550(15) 0.0323(8) Uani 1 1 d . . .
H9A H 0.2293 0.8589 0.4343 0.039 Uiso 1 1 calc R . .
H9B H 0.2244 0.8088 0.4745 0.039 Uiso 1 1 calc R . .
C10 C 0.23836(6) 0.8930(2) 0.50519(15) 0.0339(9) Uani 1 1 d . . .
H10A H 0.2516 0.8731 0.5101 0.041 Uiso 1 1 calc R . .
H10B H 0.2394 0.9390 0.4948 0.041 Uiso 1 1 calc R . .
C11 C 0.23079(6) 0.89143(19) 0.55295(14) 0.0325(9) Uani 1 1 d . . .
H11A H 0.2395 0.9180 0.5776 0.039 Uiso 1 1 calc R . .
H11B H 0.2312 0.8458 0.5651 0.039 Uiso 1 1 calc R . .
C12 C 0.20985(5) 0.91750(18) 0.54751(14) 0.0277(8) Uani 1 1 d . . .
H12A H 0.2097 0.9648 0.5397 0.033 Uiso 1 1 calc R . .
H12B H 0.2052 0.9121 0.5788 0.033 Uiso 1 1 calc R . .
C13 C 0.16539(5) 0.92031(16) 0.55919(12) 0.0236(7) Uani 1 1 d . . .
H13 H 0.1758 0.9520 0.5736 0.028 Uiso 1 1 calc R . .
C14 C 0.14579(6) 0.95348(19) 0.56116(14) 0.0299(8) Uani 1 1 d . . .
H14A H 0.1443 0.9930 0.5403 0.036 Uiso 1 1 calc R . .
H14B H 0.1349 0.9232 0.5485 0.036 Uiso 1 1 calc R . .
C15 C 0.14490(7) 0.9725(2) 0.61356(15) 0.0384(10) Uani 1 1 d . . .
H15A H 0.1550 1.0062 0.6248 0.046 Uiso 1 1 calc R . .
H15B H 0.1319 0.9918 0.6145 0.046 Uiso 1 1 calc R . .
C16 C 0.14827(7) 0.9143(2) 0.64785(15) 0.0399(10) Uani 1 1 d . . .
H16A H 0.1372 0.8833 0.6394 0.048 Uiso 1 1 calc R . .
H16B H 0.1487 0.9294 0.6817 0.048 Uiso 1 1 calc R . .
C17 C 0.16741(7) 0.8793(2) 0.64480(14) 0.0378(10) Uani 1 1 d . . .
H17A H 0.1786 0.9084 0.6574 0.045 Uiso 1 1 calc R . .
H17B H 0.1686 0.8396 0.6655 0.045 Uiso 1 1 calc R . .
C18 C 0.16812(6) 0.85992(18) 0.59230(13) 0.0276(8) Uani 1 1 d . . .
H18A H 0.1577 0.8278 0.5806 0.033 Uiso 1 1 calc R . .
H18B H 0.1809 0.8391 0.5911 0.033 Uiso 1 1 calc R . .
C19 C 0.15923(5) 0.54634(17) 0.52593(12) 0.0243(7) Uani 1 1 d . . .
H19 H 0.1497 0.5704 0.5423 0.029 Uiso 1 1 calc R . .
C20 C 0.14682(6) 0.49994(18) 0.48923(13) 0.0292(8) Uani 1 1 d . . .
H20A H 0.1380 0.5260 0.4644 0.035 Uiso 1 1 calc R . .
H20B H 0.1555 0.4740 0.4722 0.035 Uiso 1 1 calc R . .
C21 C 0.13468(7) 0.4538(2) 0.51457(16) 0.0408(10) Uani 1 1 d . . .
H21A H 0.1253 0.4795 0.5297 0.049 Uiso 1 1 calc R . .
H21B H 0.1270 0.4241 0.4901 0.049 Uiso 1 1 calc R . .
C22 C 0.14772(8) 0.4134(2) 0.55375(16) 0.0450(11) Uani 1 1 d . . .
H22A H 0.1395 0.3849 0.5704 0.054 Uiso 1 1 calc R . .
H22B H 0.1564 0.3851 0.5385 0.054 Uiso 1 1 calc R . .
C23 C 0.15989(7) 0.4584(2) 0.59056(15) 0.0397(10) Uani 1 1 d . . .
H23A H 0.1687 0.4318 0.6150 0.048 Uiso 1 1 calc R . .
H23B H 0.1511 0.4835 0.6078 0.048 Uiso 1 1 calc R . .
C24 C 0.17224(6) 0.50632(18) 0.56668(14) 0.0334(9) Uani 1 1 d . . .
H24A H 0.1821 0.4817 0.5527 0.040 Uiso 1 1 calc R . .
H24B H 0.1793 0.5365 0.5918 0.040 Uiso 1 1 calc R . .
C25 C 0.19092(5) 0.64039(16) 0.54460(12) 0.0222(7) Uani 1 1 d . . .
H25A H 0.1977 0.6009 0.5609 0.027 Uiso 1 1 calc R . .
C26 C 0.20678(5) 0.68240(17) 0.52810(13) 0.0251(7) Uani 1 1 d . . .
H26A H 0.2125 0.6585 0.5032 0.030 Uiso 1 1 calc R . .
H26B H 0.2009 0.7235 0.5132 0.030 Uiso 1 1 calc R . .
C27 C 0.22292(6) 0.69832(19) 0.57209(15) 0.0321(8) Uani 1 1 d . . .
H27A H 0.2295 0.6573 0.5850 0.038 Uiso 1 1 calc R . .
H27B H 0.2328 0.7268 0.5614 0.038 Uiso 1 1 calc R . .
C28 C 0.21485(6) 0.73225(19) 0.61233(15) 0.0329(9) Uani 1 1 d . . .
H28A H 0.2100 0.7761 0.6009 0.040 Uiso 1 1 calc R . .
H28B H 0.2255 0.7382 0.6410 0.040 Uiso 1 1 calc R . .
C29 C 0.19828(6) 0.69346(19) 0.62761(14) 0.0315(8) Uani 1 1 d . . .
H29A H 0.1926 0.7193 0.6515 0.038 Uiso 1 1 calc R . .
H29B H 0.2036 0.6525 0.6438 0.038 Uiso 1 1 calc R . .
C30 C 0.18225(5) 0.67694(17) 0.58377(13) 0.0249(7) Uani 1 1 d . . .
H30A H 0.1759 0.7178 0.5697 0.030 Uiso 1 1 calc R . .
H30B H 0.1722 0.6494 0.5946 0.030 Uiso 1 1 calc R . .
C31 C 0.18591(5) 0.57156(16) 0.45246(12) 0.0230(7) Uani 1 1 d . . .
H31 H 0.1941 0.6077 0.4429 0.028 Uiso 1 1 calc R . .
C32 C 0.17405(6) 0.54612(18) 0.40439(13) 0.0280(8) Uani 1 1 d . . .
H32A H 0.1653 0.5812 0.3885 0.034 Uiso 1 1 calc R . .
H32B H 0.1658 0.5090 0.4111 0.034 Uiso 1 1 calc R . .
C33 C 0.18743(6) 0.52370(19) 0.36981(14) 0.0306(8) Uani 1 1 d . . .
H33A H 0.1794 0.5046 0.3401 0.037 Uiso 1 1 calc R . .
H33B H 0.1944 0.5621 0.3598 0.037 Uiso 1 1 calc R . .
C34 C 0.20242(7) 0.4730(2) 0.39366(16) 0.0385(10) Uani 1 1 d . . .
H34A H 0.1956 0.4324 0.4000 0.046 Uiso 1 1 calc R . .
H34B H 0.2114 0.4622 0.3711 0.046 Uiso 1 1 calc R . .
C35 C 0.21417(6) 0.4990(2) 0.44133(16) 0.0387(10) Uani 1 1 d . . .
H35A H 0.2220 0.5370 0.4345 0.046 Uiso 1 1 calc R . .
H35B H 0.2233 0.4647 0.4569 0.046 Uiso 1 1 calc R . .
C36 C 0.20070(6) 0.51955(19) 0.47630(14) 0.0318(8) Uani 1 1 d . . .
H36A H 0.2087 0.5375 0.5066 0.038 Uiso 1 1 calc R . .
H36B H 0.1936 0.4808 0.4851 0.038 Uiso 1 1 calc R . .
C37 C 0.08229(5) 0.56718(18) 0.39853(13) 0.0266(8) Uani 1 1 d . . .
H37 H 0.0742 0.6020 0.4104 0.032 Uiso 1 1 calc R . .
C38 C 0.06749(6) 0.5147(2) 0.37533(15) 0.0371(10) Uani 1 1 d . . .
H38A H 0.0588 0.5331 0.3463 0.045 Uiso 1 1 calc R . .
H38B H 0.0746 0.4771 0.3646 0.045 Uiso 1 1 calc R . .
C39 C 0.05511(7) 0.4910(2) 0.41197(17) 0.0490(12) Uani 1 1 d . . .
H39A H 0.0470 0.5276 0.4200 0.059 Uiso 1 1 calc R . .
H39B H 0.0462 0.4558 0.3969 0.059 Uiso 1 1 calc R . .
C40 C 0.06766(7) 0.4656(2) 0.45832(17) 0.0456(11) Uani 1 1 d . . .
H40A H 0.0745 0.4255 0.4510 0.055 Uiso 1 1 calc R . .
H40B H 0.0592 0.4540 0.4819 0.055 Uiso 1 1 calc R . .
C41 C 0.08263(6) 0.5164(2) 0.48098(15) 0.0368(9) Uani 1 1 d . . .
H41A H 0.0912 0.4974 0.5100 0.044 Uiso 1 1 calc R . .
H41B H 0.0757 0.5544 0.4919 0.044 Uiso 1 1 calc R . .
C42 C 0.09526(6) 0.53973(19) 0.44463(13) 0.0295(8) Uani 1 1 d . . .
H42A H 0.1044 0.5740 0.4600 0.035 Uiso 1 1 calc R . .
H42B H 0.1031 0.5026 0.4358 0.035 Uiso 1 1 calc R . .
C43 C 0.10773(5) 0.54911(17) 0.32041(13) 0.0237(7) Uani 1 1 d . . .
H43 H 0.1156 0.5763 0.3014 0.028 Uiso 1 1 calc R . .
C44 C 0.09454(6) 0.5067(2) 0.28219(14) 0.0328(9) Uani 1 1 d . . .
H44A H 0.0865 0.4775 0.2988 0.039 Uiso 1 1 calc R . .
H44B H 0.0855 0.5353 0.2597 0.039 Uiso 1 1 calc R . .
C45 C 0.10662(6) 0.4654(2) 0.25274(15) 0.0358(9) Uani 1 1 d . . .
H45A H 0.0977 0.4365 0.2302 0.043 Uiso 1 1 calc R . .
H45B H 0.1133 0.4946 0.2329 0.043 Uiso 1 1 calc R . .
C46 C 0.12174(7) 0.4240(2) 0.28576(15) 0.0378(10) Uani 1 1 d . . .
H46A H 0.1298 0.4002 0.2658 0.045 Uiso 1 1 calc R . .
H46B H 0.1150 0.3913 0.3030 0.045 Uiso 1 1 calc R . .
C47 C 0.13489(6) 0.46698(19) 0.32306(15) 0.0334(9) Uani 1 1 d . . .
H47A H 0.1424 0.4974 0.3059 0.040 Uiso 1 1 calc R . .
H47B H 0.1443 0.4392 0.3450 0.040 Uiso 1 1 calc R . .
C48 C 0.12260(6) 0.50630(18) 0.35329(14) 0.0291(8) Uani 1 1 d . . .
H48A H 0.1157 0.4759 0.3718 0.035 Uiso 1 1 calc R . .
H48B H 0.1313 0.5342 0.3770 0.035 Uiso 1 1 calc R . .
C49 C 0.07526(5) 0.64068(17) 0.30805(13) 0.0236(7) Uani 1 1 d . . .
H49 H 0.0683 0.6014 0.2921 0.028 Uiso 1 1 calc R . .
C50 C 0.08293(5) 0.67786(18) 0.26755(13) 0.0271(8) Uani 1 1 d . . .
H50A H 0.0896 0.7183 0.2812 0.032 Uiso 1 1 calc R . .
H50B H 0.0926 0.6504 0.2549 0.032 Uiso 1 1 calc R . .
C51 C 0.06615(6) 0.6955(2) 0.22572(14) 0.0352(9) Uani 1 1 d . . .
H51A H 0.0714 0.7218 0.2012 0.042 Uiso 1 1 calc R . .
H51B H 0.0605 0.6549 0.2096 0.042 Uiso 1 1 calc R . .
C52 C 0.05020(6) 0.7341(2) 0.24359(15) 0.0362(9) Uani 1 1 d . . .
H52A H 0.0391 0.7407 0.2162 0.043 Uiso 1 1 calc R . .
H52B H 0.0553 0.7776 0.2550 0.043 Uiso 1 1 calc R . .
C53 C 0.04300(6) 0.6989(2) 0.28507(15) 0.0368(9) Uani 1 1 d . . .
H53A H 0.0361 0.6584 0.2723 0.044 Uiso 1 1 calc R . .
H53B H 0.0336 0.7273 0.2978 0.044 Uiso 1 1 calc R . .
C54 C 0.05989(5) 0.68133(19) 0.32691(14) 0.0304(8) Uani 1 1 d . . .
H54A H 0.0660 0.7219 0.3421 0.036 Uiso 1 1 calc R . .
H54B H 0.0547 0.6563 0.3521 0.036 Uiso 1 1 calc R . .
C55 C 0.10182(6) 0.98110(17) 0.38687(14) 0.0312(8) Uani 1 1 d . . .
H55 H 0.1155 0.9922 0.3837 0.037 Uiso 1 1 calc R . .
C56 C 0.08928(8) 1.0383(2) 0.36273(17) 0.0462(12) Uani 1 1 d . . .
H56A H 0.0755 1.0314 0.3657 0.055 Uiso 1 1 calc R . .
H56B H 0.0899 1.0400 0.3276 0.055 Uiso 1 1 calc R . .
C57 C 0.09665(10) 1.1034(2) 0.3871(2) 0.0646(16) Uani 1 1 d . . .
H57A H 0.1101 1.1120 0.3817 0.078 Uiso 1 1 calc R . .
H57B H 0.0881 1.1394 0.3719 0.078 Uiso 1 1 calc R . .
C58 C 0.09667(9) 1.1018(2) 0.4411(2) 0.0640(16) Uani 1 1 d . . .
H58A H 0.0831 1.0971 0.4465 0.077 Uiso 1 1 calc R . .
H58B H 0.1019 1.1436 0.4560 0.077 Uiso 1 1 calc R . .
C59 C 0.10911(7) 1.0449(2) 0.46584(17) 0.0446(11) Uani 1 1 d . . .
H59A H 0.1083 1.0436 0.5009 0.053 Uiso 1 1 calc R . .
H59B H 0.1230 1.0520 0.4634 0.053 Uiso 1 1 calc R . .
C60 C 0.10207(6) 0.97943(19) 0.44191(14) 0.0327(9) Uani 1 1 d . . .
H60A H 0.1109 0.9440 0.4570 0.039 Uiso 1 1 calc R . .
H60B H 0.0887 0.9699 0.4477 0.039 Uiso 1 1 calc R . .
C61 C 0.07001(5) 0.88181(19) 0.34580(13) 0.0268(8) Uani 1 1 d . . .
H61 H 0.0689 0.8352 0.3348 0.032 Uiso 1 1 calc R . .
C62 C 0.05599(6) 0.9202(2) 0.30641(15) 0.0361(9) Uani 1 1 d . . .
H62A H 0.0563 0.9671 0.3154 0.043 Uiso 1 1 calc R . .
H62B H 0.0604 0.9161 0.2748 0.043 Uiso 1 1 calc R . .
C63 C 0.03496(6) 0.8946(2) 0.30083(16) 0.0425(11) Uani 1 1 d . . .
H63A H 0.0262 0.9224 0.2771 0.051 Uiso 1 1 calc R . .
H63B H 0.0344 0.8496 0.2876 0.051 Uiso 1 1 calc R . .
C64 C 0.02766(6) 0.8943(3) 0.34859(17) 0.0484(12) Uani 1 1 d . . .
H64A H 0.0145 0.8742 0.3437 0.058 Uiso 1 1 calc R . .
H64B H 0.0266 0.9398 0.3598 0.058 Uiso 1 1 calc R . .
C65 C 0.04156(6) 0.8562(3) 0.38713(17) 0.0432(11) Uani 1 1 d . . .
H65A H 0.0416 0.8097 0.3774 0.052 Uiso 1 1 calc R . .
H65B H 0.0369 0.8586 0.4185 0.052 Uiso 1 1 calc R . .
C66 C 0.06236(6) 0.8831(2) 0.39399(14) 0.0337(9) Uani 1 1 d . . .
H66A H 0.0711 0.8565 0.4187 0.040 Uiso 1 1 calc R . .
H66B H 0.0626 0.9286 0.4062 0.040 Uiso 1 1 calc R . .
C67 C 0.09988(5) 0.92116(18) 0.29169(13) 0.0264(8) Uani 1 1 d . . .
H67 H 0.0894 0.9533 0.2782 0.032 Uiso 1 1 calc R . .
C68 C 0.11948(6) 0.95350(19) 0.28811(14) 0.0310(8) Uani 1 1 d . . .
H68A H 0.1214 0.9930 0.3090 0.037 Uiso 1 1 calc R . .
H68B H 0.1304 0.9228 0.2998 0.037 Uiso 1 1 calc R . .
C69 C 0.11953(7) 0.9724(2) 0.23502(15) 0.0382(10) Uani 1 1 d . . .
H69A H 0.1094 1.0063 0.2247 0.046 Uiso 1 1 calc R . .
H69B H 0.1324 0.9914 0.2327 0.046 Uiso 1 1 calc R . .
C70 C 0.11552(6) 0.9142(2) 0.20060(15) 0.0369(9) Uani 1 1 d . . .
H70A H 0.1145 0.9295 0.1666 0.044 Uiso 1 1 calc R . .
H70B H 0.1266 0.8831 0.2078 0.044 Uiso 1 1 calc R . .
C71 C 0.09674(6) 0.8790(2) 0.20544(14) 0.0365(9) Uani 1 1 d . . .
H71A H 0.0954 0.8389 0.1853 0.044 Uiso 1 1 calc R . .
H71B H 0.0854 0.9076 0.1930 0.044 Uiso 1 1 calc R . .
C72 C 0.09647(6) 0.86066(18) 0.25855(13) 0.0283(8) Uani 1 1 d . . .
H72A H 0.1068 0.8279 0.2698 0.034 Uiso 1 1 calc R . .
H72B H 0.0837 0.8408 0.2607 0.034 Uiso 1 1 calc R . .
C73 C 0.16795(5) 0.83619(17) 0.28692(12) 0.0236(7) Uani 1 1 d . . .
H73 H 0.1547 0.8567 0.2838 0.028 Uiso 1 1 calc R . .
C74 C 0.18167(6) 0.88044(18) 0.32190(14) 0.0299(8) Uani 1 1 d . . .
H74A H 0.1953 0.8648 0.3247 0.036 Uiso 1 1 calc R . .
H74B H 0.1782 0.8785 0.3547 0.036 Uiso 1 1 calc R . .
C75 C 0.18019(6) 0.95151(19) 0.30345(15) 0.0350(9) Uani 1 1 d . . .
H75A H 0.1667 0.9678 0.3022 0.042 Uiso 1 1 calc R . .
H75B H 0.1892 0.9794 0.3265 0.042 Uiso 1 1 calc R . .
C76 C 0.18535(6) 0.9563(2) 0.25336(16) 0.0383(10) Uani 1 1 d . . .
H76A H 0.1993 0.9444 0.2553 0.046 Uiso 1 1 calc R . .
H76B H 0.1836 1.0020 0.2415 0.046 Uiso 1 1 calc R . .
C77 C 0.17251(6) 0.9111(2) 0.21755(15) 0.0374(9) Uani 1 1 d . . .
H77A H 0.1770 0.9124 0.1859 0.045 Uiso 1 1 calc R . .
H77B H 0.1589 0.9273 0.2121 0.045 Uiso 1 1 calc R . .
C78 C 0.17292(6) 0.84001(19) 0.23540(14) 0.0322(8) Uani 1 1 d . . .
H78A H 0.1861 0.8212 0.2360 0.039 Uiso 1 1 calc R . .
H78B H 0.1633 0.8138 0.2125 0.039 Uiso 1 1 calc R . .
C79 C 0.18960(5) 0.71344(17) 0.33170(12) 0.0222(7) Uani 1 1 d . . .
H79 H 0.1867 0.6665 0.3377 0.027 Uiso 1 1 calc R . .
C80 C 0.20169(5) 0.73845(18) 0.37986(12) 0.0244(7) Uani 1 1 d . . .
H80A H 0.2052 0.7848 0.3761 0.029 Uiso 1 1 calc R . .
H80B H 0.1938 0.7360 0.4058 0.029 Uiso 1 1 calc R . .
C81 C 0.22035(5) 0.69770(19) 0.39474(13) 0.0274(8) Uani 1 1 d . . .
H81A H 0.2282 0.7158 0.4252 0.033 Uiso 1 1 calc R . .
H81B H 0.2168 0.6522 0.4014 0.033 Uiso 1 1 calc R . .
C82 C 0.23257(6) 0.6976(2) 0.35527(14) 0.0336(9) Uani 1 1 d . . .
H82A H 0.2442 0.6695 0.3654 0.040 Uiso 1 1 calc R . .
H82B H 0.2372 0.7426 0.3506 0.040 Uiso 1 1 calc R . .
C83 C 0.22069(6) 0.6723(2) 0.30718(14) 0.0341(9) Uani 1 1 d . . .
H83A H 0.2172 0.6260 0.3111 0.041 Uiso 1 1 calc R . .
H83B H 0.2288 0.6746 0.2815 0.041 Uiso 1 1 calc R . .
C84 C 0.20206(5) 0.7126(2) 0.29143(13) 0.0290(8) Uani 1 1 d . . .
H84A H 0.1943 0.6938 0.2612 0.035 Uiso 1 1 calc R . .
H84B H 0.2056 0.7580 0.2842 0.035 Uiso 1 1 calc R . .
C85 C 0.15405(5) 0.70526(17) 0.25833(12) 0.0222(7) Uani 1 1 d . . .
H85 H 0.1620 0.7138 0.2327 0.027 Uiso 1 1 calc R . .
C86 C 0.13324(5) 0.72963(18) 0.23772(13) 0.0265(7) Uani 1 1 d . . .
H86A H 0.1246 0.7199 0.2612 0.032 Uiso 1 1 calc R . .
H86B H 0.1335 0.7776 0.2331 0.032 Uiso 1 1 calc R . .
C87 C 0.12518(6) 0.6967(2) 0.18898(14) 0.0336(9) Uani 1 1 d . . .
H87A H 0.1116 0.7115 0.1772 0.040 Uiso 1 1 calc R . .
H87B H 0.1331 0.7102 0.1647 0.040 Uiso 1 1 calc R . .
C88 C 0.12548(6) 0.6229(2) 0.19318(14) 0.0348(9) Uani 1 1 d . . .
H88A H 0.1215 0.6034 0.1603 0.042 Uiso 1 1 calc R . .
H88B H 0.1159 0.6089 0.2134 0.042 Uiso 1 1 calc R . .
C89 C 0.14601(6) 0.5975(2) 0.21640(14) 0.0326(9) Uani 1 1 d . . .
H89A H 0.1454 0.5497 0.2215 0.039 Uiso 1 1 calc R . .
H89B H 0.1552 0.6056 0.1938 0.039 Uiso 1 1 calc R . .
C90 C 0.15386(5) 0.63093(17) 0.26547(13) 0.0256(7) Uani 1 1 d . . .
H90A H 0.1455 0.6197 0.2892 0.031 Uiso 1 1 calc R . .
H90B H 0.1673 0.6153 0.2786 0.031 Uiso 1 1 calc R . .
C91 C 0.09814(6) 0.82799(18) 0.56744(13) 0.0280(8) Uani 1 1 d . . .
H91 H 0.1115 0.8483 0.5729 0.034 Uiso 1 1 calc R . .
C92 C 0.08490(7) 0.8754(2) 0.53368(15) 0.0363(9) Uani 1 1 d . . .
H92A H 0.0891 0.8773 0.5017 0.044 Uiso 1 1 calc R . .
H92B H 0.0712 0.8592 0.5281 0.044 Uiso 1 1 calc R . .
C93 C 0.08576(7) 0.9438(2) 0.55581(17) 0.0443(11) Uani 1 1 d . . .
H93A H 0.0769 0.9734 0.5337 0.053 Uiso 1 1 calc R . .
H93B H 0.0992 0.9612 0.5595 0.053 Uiso 1 1 calc R . .
C94 C 0.07960(7) 0.9424(2) 0.60596(17) 0.0458(11) Uani 1 1 d . . .
H94A H 0.0808 0.9868 0.6203 0.055 Uiso 1 1 calc R . .
H94B H 0.0657 0.9287 0.6020 0.055 Uiso 1 1 calc R . .
C95 C 0.09240(7) 0.8952(2) 0.64011(16) 0.0433(11) Uani 1 1 d . . .
H95A H 0.0876 0.8926 0.6713 0.052 Uiso 1 1 calc R . .
H95B H 0.1060 0.9120 0.6473 0.052 Uiso 1 1 calc R . .
C96 C 0.09234(7) 0.8264(2) 0.61792(15) 0.0377(9) Uani 1 1 d . . .
H96A H 0.0791 0.8072 0.6149 0.045 Uiso 1 1 calc R . .
H96B H 0.1016 0.7982 0.6400 0.045 Uiso 1 1 calc R . .
C97 C 0.07701(5) 0.70750(19) 0.51656(13) 0.0277(8) Uani 1 1 d . . .
H97 H 0.0803 0.6629 0.5058 0.033 Uiso 1 1 calc R . .
C98 C 0.06404(6) 0.7379(2) 0.47149(14) 0.0314(8) Uani 1 1 d . . .
H98A H 0.0718 0.7434 0.4454 0.038 Uiso 1 1 calc R . .
H98B H 0.0596 0.7818 0.4800 0.038 Uiso 1 1 calc R . .
C99 C 0.04612(6) 0.6948(2) 0.45278(15) 0.0359(9) Uani 1 1 d . . .
H99A H 0.0376 0.7168 0.4250 0.043 Uiso 1 1 calc R . .
H99B H 0.0505 0.6527 0.4410 0.043 Uiso 1 1 calc R . .
C100 C 0.03434(6) 0.6817(3) 0.49289(17) 0.0437(11) Uani 1 1 d . . .
H10C H 0.0288 0.7234 0.5025 0.052 Uiso 1 1 calc R . .
H10D H 0.0233 0.6520 0.4803 0.052 Uiso 1 1 calc R . .
C101 C 0.04713(6) 0.6512(3) 0.53697(17) 0.0464(11) Uani 1 1 d . . .
H10E H 0.0518 0.6080 0.5279 0.056 Uiso 1 1 calc R . .
H10F H 0.0393 0.6443 0.5628 0.056 Uiso 1 1 calc R . .
C102 C 0.06478(6) 0.6952(2) 0.55655(15) 0.0400(10) Uani 1 1 d . . .
H10G H 0.0731 0.6741 0.5851 0.048 Uiso 1 1 calc R . .
H10H H 0.0601 0.7375 0.5674 0.048 Uiso 1 1 calc R . .
C103 C 0.11178(5) 0.69573(18) 0.59051(12) 0.0251(7) Uani 1 1 d . . .
H103 H 0.1032 0.7010 0.6153 0.030 Uiso 1 1 calc R . .
C104 C 0.13225(6) 0.71790(19) 0.61550(14) 0.0291(8) Uani 1 1 d . . .
H10I H 0.1415 0.7118 0.5929 0.035 Uiso 1 1 calc R . .
H10J H 0.1320 0.7650 0.6235 0.035 Uiso 1 1 calc R . .
C105 C 0.13928(7) 0.6787(2) 0.66225(15) 0.0374(10) Uani 1 1 d . . .
H10K H 0.1528 0.6918 0.6767 0.045 Uiso 1 1 calc R . .
H10L H 0.1308 0.6888 0.6862 0.045 Uiso 1 1 calc R . .
C106 C 0.13873(7) 0.6055(2) 0.65231(15) 0.0375(9) Uani 1 1 d . . .
H10M H 0.1487 0.5946 0.6325 0.045 Uiso 1 1 calc R . .
H10N H 0.1421 0.5817 0.6837 0.045 Uiso 1 1 calc R . .
C107 C 0.11880(7) 0.5827(2) 0.62556(15) 0.0379(10) Uani 1 1 d . . .
H10O H 0.1092 0.5874 0.6473 0.045 Uiso 1 1 calc R . .
H10P H 0.1195 0.5358 0.6172 0.045 Uiso 1 1 calc R . .
C108 C 0.11187(6) 0.62197(19) 0.57883(14) 0.0308(8) Uani 1 1 d . . .
H10Q H 0.0985 0.6078 0.5635 0.037 Uiso 1 1 calc R . .
H10R H 0.1207 0.6136 0.5555 0.037 Uiso 1 1 calc R . .
B1 B 0.20820(6) 0.25984(19) 0.33270(16) 0.0255(8) Uani 1 1 d . . .
C110 C 0.21142(5) 0.31300(17) 0.29109(14) 0.0263(8) Uani 1 1 d . . .
C111 C 0.22873(6) 0.31460(18) 0.27229(14) 0.0288(8) Uani 1 1 d . . .
H111 H 0.2378 0.2796 0.2799 0.035 Uiso 1 1 calc R . .
C112 C 0.23320(6) 0.36536(18) 0.24292(14) 0.0300(8) Uani 1 1 d . . .
C113 C 0.22034(6) 0.41704(19) 0.23076(14) 0.0325(9) Uani 1 1 d . . .
H113 H 0.2234 0.4523 0.2113 0.039 Uiso 1 1 calc R . .
C114 C 0.20283(6) 0.41594(18) 0.24780(13) 0.0300(8) Uani 1 1 d . . .
C115 C 0.19851(6) 0.36536(18) 0.27720(13) 0.0271(8) Uani 1 1 d . . .
H115 H 0.1864 0.3662 0.2883 0.033 Uiso 1 1 calc R . .
C116 C 0.25240(7) 0.3663(2) 0.22646(17) 0.0413(10) Uani 1 1 d . . .
C117 C 0.18879(7) 0.4713(2) 0.23393(15) 0.0396(10) Uani 1 1 d . . .
C118 C 0.22087(5) 0.28754(17) 0.38505(14) 0.0270(8) Uani 1 1 d . . .
C119 C 0.23683(6) 0.33060(18) 0.38746(15) 0.0313(8) Uani 1 1 d . . .
H119 H 0.2408 0.3428 0.3579 0.038 Uiso 1 1 calc R . .
C120 C 0.24700(6) 0.35591(19) 0.43100(16) 0.0351(9) Uani 1 1 d . . .
C121 C 0.24152(6) 0.3410(2) 0.47484(16) 0.0377(10) Uani 1 1 d . . .
H121 H 0.2482 0.3594 0.5046 0.045 Uiso 1 1 calc R . .
C122 C 0.22603(6) 0.2984(2) 0.47425(15) 0.0349(9) Uani 1 1 d . . .
C123 C 0.21623(6) 0.27133(18) 0.43064(14) 0.0300(8) Uani 1 1 d . . .
H123 H 0.2060 0.2408 0.4317 0.036 Uiso 1 1 calc R . .
C124 C 0.26314(8) 0.4032(3) 0.4296(2) 0.0557(14) Uani 1 1 d . . .
C125 C 0.21847(8) 0.2871(3) 0.52026(17) 0.0507(12) Uani 1 1 d . . .
C126 C 0.18474(5) 0.25425(17) 0.33529(13) 0.0247(7) Uani 1 1 d . . .
C127 C 0.17605(5) 0.29106(18) 0.36784(14) 0.0278(8) Uani 1 1 d . . .
H127 H 0.1839 0.3217 0.3885 0.033 Uiso 1 1 calc R . .
C128 C 0.15644(6) 0.28460(18) 0.37117(14) 0.0284(8) Uani 1 1 d . . .
C129 C 0.14433(6) 0.24230(19) 0.34007(14) 0.0300(8) Uani 1 1 d . . .
H129 H 0.1309 0.2378 0.3419 0.036 Uiso 1 1 calc R . .
C130 C 0.15230(6) 0.20708(19) 0.30647(14) 0.0300(8) Uani 1 1 d . . .
C131 C 0.17218(6) 0.21215(19) 0.30443(14) 0.0300(8) Uani 1 1 d . . .
H131 H 0.1773 0.1863 0.2815 0.036 Uiso 1 1 calc R . .
C132 C 0.13994(7) 0.1604(2) 0.27244(16) 0.0426(10) Uani 1 1 d . . .
C133 C 0.14897(7) 0.3172(2) 0.41138(17) 0.0388(10) Uani 1 1 d . . .
C134 C 0.21641(6) 0.18721(17) 0.32087(14) 0.0274(8) Uani 1 1 d . . .
C135 C 0.22275(6) 0.14233(18) 0.35816(14) 0.0330(9) Uani 1 1 d . . .
H135 H 0.2225 0.1546 0.3909 0.040 Uiso 1 1 calc R . .
C136 C 0.22941(7) 0.08022(19) 0.34913(15) 0.0393(10) Uani 1 1 d . . .
C137 C 0.23043(7) 0.0614(2) 0.30137(16) 0.0388(10) Uani 1 1 d . . .
H137 H 0.2352 0.0194 0.2949 0.047 Uiso 1 1 calc R . .
C138 C 0.22442(6) 0.10490(18) 0.26400(14) 0.0302(8) Uani 1 1 d . . .
C139 C 0.21719(6) 0.16601(18) 0.27336(14) 0.0288(8) Uani 1 1 d . . .
H139 H 0.2126 0.1944 0.2467 0.035 Uiso 1 1 calc R . .
C140 C 0.23563(10) 0.0333(2) 0.38968(19) 0.0592(15) Uani 1 1 d . . .
C141 C 0.22625(7) 0.0851(2) 0.21291(16) 0.0360(9) Uani 1 1 d . . .
B2 B 0.03699(7) 0.2535(2) 0.51451(17) 0.0339(9) Uani 1 1 d . . .
C142 C 0.05746(6) 0.2594(2) 0.49338(16) 0.0371(9) Uani 1 1 d . . .
C143 C 0.05892(7) 0.2785(2) 0.44626(18) 0.0443(11) Uani 1 1 d . . .
H143 H 0.0472 0.2878 0.4236 0.053 Uiso 1 1 calc R . .
C144 C 0.07682(8) 0.2845(2) 0.43110(19) 0.0496(12) Uani 1 1 d . . .
C145 C 0.09418(8) 0.2731(2) 0.46307(19) 0.0480(12) Uani 1 1 d . . .
H145 H 0.1064 0.2790 0.4534 0.058 Uiso 1 1 calc R . .
C146 C 0.09309(6) 0.2525(2) 0.51010(18) 0.0452(11) Uani 1 1 d . . .
C147 C 0.07514(6) 0.2457(2) 0.52425(16) 0.0418(10) Uani 1 1 d . . .
H147 H 0.0749 0.2309 0.5564 0.050 Uiso 1 1 calc R . .
C148 C 0.07771(12) 0.3056(4) 0.3806(3) 0.079(2) Uani 1 1 d . . .
C149 C 0.11134(8) 0.2380(4) 0.5456(2) 0.077(2) Uani 1 1 d . . .
C150 C 0.01820(6) 0.2680(2) 0.47081(16) 0.0393(10) Uani 1 1 d . . .
C151 C 0.01513(7) 0.3317(3) 0.4527(2) 0.0517(12) Uani 1 1 d . . .
H151 H 0.0237 0.3654 0.4673 0.062 Uiso 1 1 calc R . .
C152 C 0.00012(8) 0.3478(3) 0.4145(2) 0.0612(15) Uani 1 1 d . . .
C153 C -0.01262(8) 0.2996(4) 0.3919(2) 0.0652(16) Uani 1 1 d . . .
H153 H -0.0227 0.3097 0.3648 0.078 Uiso 1 1 calc R . .
C154 C -0.01022(8) 0.2373(3) 0.4099(2) 0.0584(15) Uani 1 1 d . . .
C155 C 0.00467(7) 0.2220(2) 0.44904(18) 0.0457(11) Uani 1 1 d . . .
H155 H 0.0056 0.1785 0.4613 0.055 Uiso 1 1 calc R . .
C156 C -0.00216(12) 0.4163(5) 0.3969(4) 0.108(3) Uani 1 1 d . . .
C157 C -0.02411(11) 0.1846(4) 0.3888(3) 0.099(3) Uani 1 1 d . . .
C158 C 0.03675(6) 0.3081(2) 0.55747(15) 0.0355(9) Uani 1 1 d . . .
C159 C 0.05112(6) 0.3564(2) 0.57072(15) 0.0362(9) Uani 1 1 d . . .
H159 H 0.0621 0.3570 0.5549 0.043 Uiso 1 1 calc R . .
C160 C 0.04996(7) 0.4035(2) 0.60624(15) 0.0376(10) Uani 1 1 d . . .
C161 C 0.03423(7) 0.4046(2) 0.63012(16) 0.0424(11) Uani 1 1 d . . .
H161 H 0.0333 0.4370 0.6540 0.051 Uiso 1 1 calc R . .
C162 C 0.01981(6) 0.3572(2) 0.61821(15) 0.0400(10) Uani 1 1 d . . .
C163 C 0.02084(7) 0.3108(2) 0.58230(16) 0.0399(10) Uani 1 1 d . . .
H163 H 0.0105 0.2800 0.5742 0.048 Uiso 1 1 calc R . .
C164 C 0.06559(8) 0.4533(2) 0.61836(18) 0.0486(12) Uani 1 1 d . . .
C165 C 0.00300(8) 0.3567(3) 0.64431(19) 0.0553(13) Uani 1 1 d . . .
C166 C 0.03617(6) 0.1785(2) 0.53536(16) 0.0346(9) Uani 1 1 d . . .
C167 C 0.03536(6) 0.1613(2) 0.58372(16) 0.0382(9) Uani 1 1 d . . .
H167 H 0.0359 0.1949 0.6074 0.046 Uiso 1 1 calc R . .
C168 C 0.03381(7) 0.0968(2) 0.59802(17) 0.0431(10) Uani 1 1 d . . .
C169 C 0.03317(6) 0.0456(2) 0.56513(18) 0.0435(11) Uani 1 1 d . . .
H169 H 0.0319 0.0016 0.5749 0.052 Uiso 1 1 calc R . .
C170 C 0.03446(6) 0.0611(2) 0.51745(17) 0.0411(10) Uani 1 1 d . . .
C171 C 0.03637(6) 0.1256(2) 0.50348(16) 0.0373(9) Uani 1 1 d . . .
H171 H 0.0379 0.1343 0.4709 0.045 Uiso 1 1 calc R . .
C172 C 0.03328(9) 0.0804(3) 0.6499(2) 0.0577(14) Uani 1 1 d . . .
C173 C 0.03289(8) 0.0083(2) 0.4801(2) 0.0533(13) Uani 1 1 d . . .
C200 C 0.06926(16) 0.6980(7) 0.7338(4) 0.152(5) Uani 1 1 d . . .
H20C H 0.0593 0.7332 0.7310 0.182 Uiso 1 1 calc R A 1
H20D H 0.0694 0.6750 0.7651 0.182 Uiso 1 1 calc R A 1
Cl1 Cl 0.09177(4) 0.73247(16) 0.73491(10) 0.1381(10) Uani 1 1 d . B .
Cl2 Cl 0.06245(5) 0.64298(19) 0.68599(10) 0.1080(11) Uani 0.75 1 d P B 1
Cl2A Cl 0.0548(3) 0.6230(12) 0.7236(8) 0.278(15) Uani 0.25 1 d P B 2
C300 C 0.1726(3) 0.2175(7) 0.5838(8) 0.104(13) Uani 0.25 1 d PD C 1
H30C H 0.1859 0.2071 0.5781 0.125 Uiso 0.25 1 calc PR C 1
H30D H 0.1655 0.2380 0.5535 0.125 Uiso 0.25 1 calc PR C 1
Cl3 Cl 0.16090(9) 0.1421(2) 0.59059(18) 0.0584(13) Uani 0.25 1 d PD C 1
Cl4 Cl 0.1753(2) 0.2777(5) 0.6297(4) 0.110(4) Uani 0.25 1 d PD C 1
C400 C 0.2301(2) 0.3384(5) 0.6708(9) 0.057(6) Uiso 0.25 1 d PD D 2
H40C H 0.2416 0.3442 0.6974 0.068 Uiso 0.25 1 calc PR D 2
H40D H 0.2344 0.3455 0.6393 0.068 Uiso 0.25 1 calc PR D 2
Cl5 Cl 0.22096(10) 0.2599(4) 0.6728(2) 0.0723(17) Uani 0.25 1 d PD D 2
Cl6 Cl 0.21224(11) 0.3948(4) 0.6773(3) 0.096(2) Uani 0.25 1 d PD D 2
C401 C 0.20486(13) 0.2841(7) 0.6548(5) 0.126(6) Uiso 0.50 1 d PG E 3
C402 C 0.20805(16) 0.2190(7) 0.6445(5) 0.117(6) Uiso 0.50 1 d PG E 3
H402 H 0.2208 0.2009 0.6528 0.140 Uiso 0.50 1 calc PR E 3
C403 C 0.1925(2) 0.1802(5) 0.6219(6) 0.178(10) Uiso 0.50 1 d PG E 3
H403 H 0.1947 0.1357 0.6148 0.214 Uiso 0.50 1 calc PR E 3
C404 C 0.17385(19) 0.2066(6) 0.6096(5) 0.167(11) Uiso 0.50 1 d PG E 3
H404 H 0.1633 0.1802 0.5942 0.201 Uiso 0.50 1 calc PR E 3
C405 C 0.17066(12) 0.2718(6) 0.6199(4) 0.026(2) Uiso 0.50 1 d PG E 3
H405 H 0.1579 0.2899 0.6116 0.032 Uiso 0.50 1 calc PR E 3
C406 C 0.18617(15) 0.3106(5) 0.6425(4) 0.088(5) Uiso 0.50 1 d PG E 3
H406 H 0.1840 0.3551 0.6496 0.106 Uiso 0.50 1 calc PR E 3
C407 C 0.2229(2) 0.3205(8) 0.6711(6) 0.084(4) Uiso 0.50 1 d P E 3
H40E H 0.2279 0.3111 0.7057 0.126 Uiso 0.50 1 calc PR E 3
H40F H 0.2203 0.3674 0.6669 0.126 Uiso 0.50 1 calc PR E 3
H40G H 0.2327 0.3074 0.6518 0.126 Uiso 0.50 1 calc PR E 3
C501 C 0.0427(2) 0.8923(9) 0.7638(5) 0.117(8) Uiso 0.50 1 d PGD F 1
C502 C 0.0256(2) 0.9269(8) 0.7651(5) 0.148(10) Uiso 0.50 1 d PG F 1
H502 H 0.0200 0.9534 0.7382 0.177 Uiso 0.50 1 calc PR F 1
C503 C 0.01688(19) 0.9228(8) 0.8059(6) 0.108(6) Uiso 0.50 1 d PG F 1
H503 H 0.0052 0.9465 0.8068 0.130 Uiso 0.50 1 calc PR F 1
C504 C 0.0252(2) 0.8841(9) 0.8453(5) 0.167(12) Uiso 0.50 1 d PG F 1
H504 H 0.0192 0.8813 0.8731 0.200 Uiso 0.50 1 calc PR F 1
C505 C 0.0423(2) 0.8495(8) 0.8439(5) 0.151(10) Uiso 0.50 1 d PG F 1
H505 H 0.0480 0.8230 0.8709 0.182 Uiso 0.50 1 calc PR F 1
C506 C 0.05107(18) 0.8536(7) 0.8032(5) 0.112(6) Uiso 0.50 1 d PGD F 1
H506 H 0.0628 0.8300 0.8023 0.135 Uiso 0.50 1 calc PR F 1
C507 C 0.0552(3) 0.9067(13) 0.7264(8) 0.134(9) Uiso 0.50 1 d PD F 1
H50C H 0.0470 0.9237 0.6966 0.202 Uiso 0.50 1 calc PR F 1
H50D H 0.0617 0.8664 0.7187 0.202 Uiso 0.50 1 calc PR F 1
H50E H 0.0652 0.9392 0.7395 0.202 Uiso 0.50 1 calc PR F 1
C500 C 0.0365(3) 0.9095(10) 0.7603(7) 0.24(2) Uani 0.50 1 d PD G 2
H50F H 0.0262 0.8866 0.7372 0.292 Uiso 0.50 1 calc PR G 2
H50G H 0.0357 0.9567 0.7522 0.292 Uiso 0.50 1 calc PR G 2
Cl7 Cl 0.0322(2) 0.8984(7) 0.8213(6) 0.355(10) Uani 0.50 1 d PD G 2
Cl8 Cl 0.05957(18) 0.8797(6) 0.7531(4) 0.245(5) Uani 0.50 1 d PD G 2
C600 C 0.0000 0.7551(12) 0.7500 0.142(11) Uiso 0.50 2 d SPD . .
H60C H -0.0015 0.7831 0.7781 0.170 Uiso 0.25 1 calc PR . .
H60D H 0.0015 0.7831 0.7219 0.170 Uiso 0.25 1 calc PR . .
Cl9 Cl 0.01923(14) 0.7006(10) 0.7650(7) 0.479(13) Uani 0.50 1 d PD . .
C700 C 0.0003(4) 0.5397(18) 0.4853(16) 0.053(10) Uiso 0.13 1 d PD . .
H70C H 0.0004 0.5474 0.4503 0.063 Uiso 0.13 1 calc PR . .
H70D H -0.0002 0.5829 0.5010 0.063 Uiso 0.13 1 calc PR . .
Cl10 Cl -0.02132(15) 0.4968(6) 0.4898(5) 0.143(4) Uani 0.25 1 d PD . .
C800 C 0.0074(3) 0.510(2) 0.7472(17) 0.116(14) Uiso 0.25 1 d PD . .
H80C H 0.0081 0.5533 0.7632 0.139 Uiso 0.25 1 calc PR . .
H80D H 0.0085 0.4793 0.7750 0.139 Uiso 0.25 1 calc PR . .
Cl11 Cl 0.03477(18) 0.5084(6) 0.7493(3) 0.136(5) Uani 0.25 1 d PD . .
Cl12 Cl -0.0204(3) 0.5090(18) 0.7367(9) 0.38(2) Uani 0.25 1 d PD . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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
P1 Rh1 Rh4 133.23(3) . .
P1 Rh1 Rh5 135.22(3) . .
Rh4 Rh1 Rh5 60.052(9) . .
P1 Rh1 Rh6 135.10(3) . .
Rh4 Rh1 Rh6 60.288(9) . .
Rh5 Rh1 Rh6 89.650(10) . .
P1 Rh1 Rh2 136.64(3) . .
Rh4 Rh1 Rh2 90.126(11) . .
Rh5 Rh1 Rh2 59.496(9) . .
Rh6 Rh1 Rh2 59.908(10) . .
P1 Rh1 Rh3 178.23(3) . .
Rh4 Rh1 Rh3 45.014(8) . .
Rh5 Rh1 Rh3 44.964(8) . .
Rh6 Rh1 Rh3 44.689(7) . .
Rh2 Rh1 Rh3 45.115(8) . .
P1 Rh1 H12 98.9(17) . .
Rh4 Rh1 H12 127.7(17) . .
Rh5 Rh1 H12 81.8(17) . .
Rh6 Rh1 H12 87.4(17) . .
Rh2 Rh1 H12 37.8(17) . .
Rh3 Rh1 H12 82.8(17) . .
P1 Rh1 H14 91.3(18) . .
Rh4 Rh1 H14 41.9(18) . .
Rh5 Rh1 H14 87.0(17) . .
Rh6 Rh1 H14 89.2(17) . .
Rh2 Rh1 H14 132.0(18) . .
Rh3 Rh1 H14 86.9(18) . .
H12 Rh1 H14 168(2) . .
P1 Rh1 H15 95.5(16) . .
Rh4 Rh1 H15 85.0(16) . .
Rh5 Rh1 H15 39.7(16) . .
Rh6 Rh1 H15 129.3(16) . .
Rh2 Rh1 H15 86.8(16) . .
Rh3 Rh1 H15 84.6(16) . .
H12 Rh1 H15 87(2) . .
H14 Rh1 H15 87(2) . .
P1 Rh1 H16 95.2(17) . .
Rh4 Rh1 H16 85.0(18) . .
Rh5 Rh1 H16 129.4(17) . .
Rh6 Rh1 H16 39.9(17) . .
Rh2 Rh1 H16 87.8(17) . .
Rh3 Rh1 H16 84.5(17) . .
H12 Rh1 H16 95(2) . .
H14 Rh1 H16 89(2) . .
H15 Rh1 H16 169(2) . .
P2 Rh2 Rh5 133.23(3) . .
P2 Rh2 Rh6 136.74(3) . .
Rh5 Rh2 Rh6 90.030(11) . .
P2 Rh2 Rh3 135.48(3) . .
Rh5 Rh2 Rh3 60.106(9) . .
Rh6 Rh2 Rh3 59.575(9) . .
P2 Rh2 Rh1 134.74(3) . .
Rh5 Rh2 Rh1 60.120(9) . .
Rh6 Rh2 Rh1 59.942(10) . .
Rh3 Rh2 Rh1 89.746(11) . .
P2 Rh2 Rh4 178.06(3) . .
Rh5 Rh2 Rh4 44.905(8) . .
Rh6 Rh2 Rh4 45.126(8) . .
Rh3 Rh2 Rh4 45.020(8) . .
Rh1 Rh2 Rh4 44.729(8) . .
P2 Rh2 H12 96.5(17) . .
Rh5 Rh2 H12 82.7(18) . .
Rh6 Rh2 H12 87.7(18) . .
Rh3 Rh2 H12 127.9(17) . .
Rh1 Rh2 H12 38.3(17) . .
Rh4 Rh2 H12 82.9(17) . .
P2 Rh2 H23 95(2) . .
Rh5 Rh2 H23 86(2) . .
Rh6 Rh2 H23 86(2) . .
Rh3 Rh2 H23 40(2) . .
Rh1 Rh2 H23 130(2) . .
Rh4 Rh2 H23 85(2) . .
H12 Rh2 H23 168(3) . .
P2 Rh2 H25 93(2) . .
Rh5 Rh2 H25 40(2) . .
Rh6 Rh2 H25 130(2) . .
Rh3 Rh2 H25 88(2) . .
Rh1 Rh2 H25 86(2) . .
Rh4 Rh2 H25 85(2) . .
H12 Rh2 H25 85(3) . .
H23 Rh2 H25 91(3) . .
P2 Rh2 H26 97(2) . .
Rh5 Rh2 H26 130(2) . .
Rh6 Rh2 H26 40(2) . .
Rh3 Rh2 H26 85(2) . .
Rh1 Rh2 H26 87(2) . .
Rh4 Rh2 H26 85(2) . .
H12 Rh2 H26 94(3) . .
H23 Rh2 H26 89(3) . .
H25 Rh2 H26 170(3) . .
P3 Rh3 Rh6 132.92(3) . .
P3 Rh3 Rh5 137.08(3) . .
Rh6 Rh3 Rh5 90.003(11) . .
P3 Rh3 Rh4 135.12(3) . .
Rh6 Rh3 Rh4 60.310(10) . .
Rh5 Rh3 Rh4 59.898(10) . .
P3 Rh3 Rh2 134.98(3) . .
Rh6 Rh3 Rh2 60.112(9) . .
Rh5 Rh3 Rh2 59.523(9) . .
Rh4 Rh3 Rh2 89.858(11) . .
P3 Rh3 Rh1 177.93(3) . .
Rh6 Rh3 Rh1 45.019(8) . .
Rh5 Rh3 Rh1 44.988(8) . .
Rh4 Rh3 Rh1 44.722(8) . .
Rh2 Rh3 Rh1 45.139(8) . .
P3 Rh3 H23 98.5(19) . .
Rh6 Rh3 H23 84.2(18) . .
Rh5 Rh3 H23 83.4(18) . .
Rh4 Rh3 H23 126.4(19) . .
Rh2 Rh3 H23 36.5(19) . .
Rh1 Rh3 H23 81.7(19) . .
P3 Rh3 H34 92.5(15) . .
Rh6 Rh3 H34 87.2(16) . .
Rh5 Rh3 H34 89.6(16) . .
Rh4 Rh3 H34 42.6(15) . .
Rh2 Rh3 H34 132.4(16) . .
Rh1 Rh3 H34 87.3(15) . .
H23 Rh3 H34 169(2) . .
P3 Rh3 H35 96.2(17) . .
Rh6 Rh3 H35 130.9(17) . .
Rh5 Rh3 H35 40.9(17) . .
Rh4 Rh3 H35 87.9(16) . .
Rh2 Rh3 H35 85.7(17) . .
Rh1 Rh3 H35 85.9(17) . .
H23 Rh3 H35 87(2) . .
H34 Rh3 H35 93(2) . .
P3 Rh3 H36 93.2(18) . .
Rh6 Rh3 H36 39.7(17) . .
Rh5 Rh3 H36 129.7(18) . .
Rh4 Rh3 H36 85.5(17) . .
Rh2 Rh3 H36 87.6(18) . .
Rh1 Rh3 H36 84.7(18) . .
H23 Rh3 H36 91(2) . .
H34 Rh3 H36 87(2) . .
H35 Rh3 H36 171(2) . .
P4 Rh4 Rh1 133.12(3) . .
P4 Rh4 Rh5 134.94(3) . .
Rh1 Rh4 Rh5 60.205(9) . .
P4 Rh4 Rh3 136.62(3) . .
Rh1 Rh4 Rh3 90.264(11) . .
Rh5 Rh4 Rh3 60.007(10) . .
P4 Rh4 Rh6 135.39(3) . .
Rh1 Rh4 Rh6 60.112(9) . .
Rh5 Rh4 Rh6 89.636(11) . .
Rh3 Rh4 Rh6 59.564(9) . .
P4 Rh4 Rh2 178.22(3) . .
Rh1 Rh4 Rh2 45.146(8) . .
Rh5 Rh4 Rh2 44.632(7) . .
Rh3 Rh4 Rh2 45.122(8) . .
Rh6 Rh4 Rh2 45.006(8) . .
P4 Rh4 H14 94.2(17) . .
Rh1 Rh4 H14 38.9(17) . .
Rh5 Rh4 H14 85.1(16) . .
Rh3 Rh4 H14 129.1(17) . .
Rh6 Rh4 H14 86.9(16) . .
Rh2 Rh4 H14 84.0(17) . .
P4 Rh4 H34 97.5(15) . .
Rh1 Rh4 H34 129.3(14) . .
Rh5 Rh4 H34 87.1(15) . .
Rh3 Rh4 H34 39.1(14) . .
Rh6 Rh4 H34 84.2(15) . .
Rh2 Rh4 H34 84.2(14) . .
H14 Rh4 H34 168(2) . .
P4 Rh4 H45 96(2) . .
Rh1 Rh4 H45 85(2) . .
Rh5 Rh4 H45 39(2) . .
Rh3 Rh4 H45 86(2) . .
Rh6 Rh4 H45 128(2) . .
Rh2 Rh4 H45 83(2) . .
H14 Rh4 H45 87(3) . .
H34 Rh4 H45 92(3) . .
P4 Rh4 H46 93.0(17) . .
Rh1 Rh4 H46 88.9(18) . .
Rh5 Rh4 H46 132.1(17) . .
Rh3 Rh4 H46 86.9(17) . .
Rh6 Rh4 H46 42.5(17) . .
Rh2 Rh4 H46 87.5(17) . .
H14 Rh4 H46 92(2) . .
H34 Rh4 H46 86(2) . .
H45 Rh4 H46 171(3) . .
P5 Rh5 Rh2 133.00(2) . .
P5 Rh5 Rh4 136.54(2) . .
Rh2 Rh5 Rh4 90.463(11) . .
P5 Rh5 Rh3 134.92(2) . .
Rh2 Rh5 Rh3 60.371(9) . .
Rh4 Rh5 Rh3 60.095(9) . .
P5 Rh5 Rh1 135.00(2) . .
Rh2 Rh5 Rh1 60.384(9) . .
Rh4 Rh5 Rh1 59.743(9) . .
Rh3 Rh5 Rh1 90.048(11) . .
P5 Rh5 Rh6 178.16(2) . .
Rh2 Rh5 Rh6 45.172(8) . .
Rh4 Rh5 Rh6 45.292(8) . .
Rh3 Rh5 Rh6 44.861(7) . .
Rh1 Rh5 Rh6 45.191(8) . .
P5 Rh5 H15 94.3(17) . .
Rh2 Rh5 H15 88.3(16) . .
Rh4 Rh5 H15 85.5(17) . .
Rh3 Rh5 H15 130.7(17) . .
Rh1 Rh5 H15 40.7(17) . .
Rh6 Rh5 H15 85.9(17) . .
P5 Rh5 H25 96(2) . .
Rh2 Rh5 H25 37(2) . .
Rh4 Rh5 H25 127(2) . .
Rh3 Rh5 H25 86(2) . .
Rh1 Rh5 H25 84(2) . .
Rh6 Rh5 H25 82(2) . .
H15 Rh5 H25 90(3) . .
P5 Rh5 H35 91.3(17) . .
Rh2 Rh5 H35 88.2(17) . .
Rh4 Rh5 H35 90.0(17) . .
Rh3 Rh5 H35 43.6(17) . .
Rh1 Rh5 H35 133.6(17) . .
Rh6 Rh5 H35 88.4(17) . .
H15 Rh5 H35 174(2) . .
H25 Rh5 H35 90(3) . .
P5 Rh5 H45 98(2) . .
Rh2 Rh5 H45 129(2) . .
Rh4 Rh5 H45 38(2) . .
Rh3 Rh5 H45 86(2) . .
Rh1 Rh5 H45 84(2) . .
Rh6 Rh5 H45 84(2) . .
H15 Rh5 H45 87(3) . .
H25 Rh5 H45 165(3) . .
H35 Rh5 H45 92(3) . .
P6 Rh6 Rh3 132.25(3) . .
P6 Rh6 Rh2 134.52(3) . .
Rh3 Rh6 Rh2 60.313(9) . .
P6 Rh6 Rh1 137.46(3) . .
Rh3 Rh6 Rh1 90.292(11) . .
Rh2 Rh6 Rh1 60.150(9) . .
P6 Rh6 Rh4 135.52(3) . .
Rh3 Rh6 Rh4 60.125(9) . .
Rh2 Rh6 Rh4 89.867(11) . .
Rh1 Rh6 Rh4 59.599(9) . .
P6 Rh6 Rh5 177.31(3) . .
Rh3 Rh6 Rh5 45.136(8) . .
Rh2 Rh6 Rh5 44.798(7) . .
Rh1 Rh6 Rh5 45.160(8) . .
Rh4 Rh6 Rh5 45.071(8) . .
P6 Rh6 H16 99.7(17) . .
Rh3 Rh6 H16 128.0(17) . .
Rh2 Rh6 H16 86.5(17) . .
Rh1 Rh6 H16 37.8(17) . .
Rh4 Rh6 H16 83.0(17) . .
Rh5 Rh6 H16 82.9(17) . .
P6 Rh6 H26 98.6(19) . .
Rh3 Rh6 H26 83.5(19) . .
Rh2 Rh6 H26 36.0(19) . .
Rh1 Rh6 H26 84.1(19) . .
Rh4 Rh6 H26 125.8(19) . .
Rh5 Rh6 H26 80.7(19) . .
H16 Rh6 H26 92(3) . .
P6 Rh6 H36 91.4(18) . .
Rh3 Rh6 H36 40.9(18) . .
Rh2 Rh6 H36 88.7(18) . .
Rh1 Rh6 H36 131.1(18) . .
Rh4 Rh6 H36 86.1(18) . .
Rh5 Rh6 H36 86.0(18) . .
H16 Rh6 H36 168(3) . .
H26 Rh6 H36 91(3) . .
P6 Rh6 H46 94.4(17) . .
Rh3 Rh6 H46 86.5(17) . .
Rh2 Rh6 H46 131.0(17) . .
Rh1 Rh6 H46 87.5(17) . .
Rh4 Rh6 H46 41.1(17) . .
Rh5 Rh6 H46 86.2(17) . .
H16 Rh6 H46 88(2) . .
H26 Rh6 H46 167(3) . .
H36 Rh6 H46 87(3) . .
C13 P1 C1 101.91(16) . .
C13 P1 C7 103.18(16) . .
C1 P1 C7 110.60(16) . .
C13 P1 Rh1 113.91(12) . .
C1 P1 Rh1 114.06(12) . .
C7 P1 Rh1 112.23(11) . .
C25 P2 C31 102.46(16) . .
C25 P2 C19 102.59(15) . .
C31 P2 C19 110.45(16) . .
C25 P2 Rh2 114.92(11) . .
C31 P2 Rh2 112.66(11) . .
C19 P2 Rh2 112.87(12) . .
C49 P3 C37 102.95(17) . .
C49 P3 C43 102.81(16) . .
C37 P3 C43 111.37(17) . .
C49 P3 Rh3 114.03(11) . .
C37 P3 Rh3 112.12(12) . .
C43 P3 Rh3 112.81(11) . .
C55 P4 C67 102.88(17) . .
C55 P4 C61 110.91(18) . .
C67 P4 C61 102.54(16) . .
C55 P4 Rh4 111.40(12) . .
C67 P4 Rh4 115.13(12) . .
C61 P4 Rh4 113.23(12) . .
C85 P5 C79 103.31(16) . .
C85 P5 C73 102.87(15) . .
C79 P5 C73 110.93(16) . .
C85 P5 Rh5 114.40(12) . .
C79 P5 Rh5 112.53(11) . .
C73 P5 Rh5 112.11(12) . .
C103 P6 C97 102.30(17) . .
C103 P6 C91 102.54(16) . .
C97 P6 C91 111.68(18) . .
C103 P6 Rh6 114.71(12) . .
C97 P6 Rh6 111.33(12) . .
C91 P6 Rh6 113.48(13) . .
C2 C1 C6 110.0(3) . .
C2 C1 P1 116.1(2) . .
C6 C1 P1 114.0(3) . .
C2 C1 H1 105.2 . .
C6 C1 H1 105.2 . .
P1 C1 H1 105.2 . .
C3 C2 C1 111.0(3) . .
C3 C2 H2A 109.4 . .
C1 C2 H2A 109.4 . .
C3 C2 H2B 109.4 . .
C1 C2 H2B 109.4 . .
H2A C2 H2B 108.0 . .
C4 C3 C2 111.3(3) . .
C4 C3 H3A 109.4 . .
C2 C3 H3A 109.4 . .
C4 C3 H3B 109.4 . .
C2 C3 H3B 109.4 . .
H3A C3 H3B 108.0 . .
C5 C4 C3 110.9(4) . .
C5 C4 H4A 109.5 . .
C3 C4 H4A 109.5 . .
C5 C4 H4B 109.5 . .
C3 C4 H4B 109.5 . .
H4A C4 H4B 108.0 . .
C4 C5 C6 111.6(4) . .
C4 C5 H5A 109.3 . .
C6 C5 H5A 109.3 . .
C4 C5 H5B 109.3 . .
C6 C5 H5B 109.3 . .
H5A C5 H5B 108.0 . .
C5 C6 C1 111.0(3) . .
C5 C6 H6A 109.4 . .
C1 C6 H6A 109.4 . .
C5 C6 H6B 109.4 . .
C1 C6 H6B 109.4 . .
H6A C6 H6B 108.0 . .
C8 C7 C12 110.2(3) . .
C8 C7 P1 111.8(2) . .
C12 C7 P1 117.4(2) . .
C8 C7 H7 105.4 . .
C12 C7 H7 105.4 . .
P1 C7 H7 105.4 . .
C9 C8 C7 111.8(3) . .
C9 C8 H8A 109.2 . .
C7 C8 H8A 109.2 . .
C9 C8 H8B 109.2 . .
C7 C8 H8B 109.2 . .
H8A C8 H8B 107.9 . .
C8 C9 C10 110.7(3) . .
C8 C9 H9A 109.5 . .
C10 C9 H9A 109.5 . .
C8 C9 H9B 109.5 . .
C10 C9 H9B 109.5 . .
H9A C9 H9B 108.1 . .
C11 C10 C9 110.4(3) . .
C11 C10 H10A 109.6 . .
C9 C10 H10A 109.6 . .
C11 C10 H10B 109.6 . .
C9 C10 H10B 109.6 . .
H10A C10 H10B 108.1 . .
C10 C11 C12 112.6(3) . .
C10 C11 H11A 109.1 . .
C12 C11 H11A 109.1 . .
C10 C11 H11B 109.1 . .
C12 C11 H11B 109.1 . .
H11A C11 H11B 107.8 . .
C11 C12 C7 111.0(3) . .
C11 C12 H12A 109.4 . .
C7 C12 H12A 109.4 . .
C11 C12 H12B 109.4 . .
C7 C12 H12B 109.4 . .
H12A C12 H12B 108.0 . .
C18 C13 C14 110.2(3) . .
C18 C13 P1 112.6(2) . .
C14 C13 P1 114.5(2) . .
C18 C13 H13 106.3 . .
C14 C13 H13 106.3 . .
P1 C13 H13 106.3 . .
C15 C14 C13 110.1(3) . .
C15 C14 H14A 109.6 . .
C13 C14 H14A 109.6 . .
C15 C14 H14B 109.6 . .
C13 C14 H14B 109.6 . .
H14A C14 H14B 108.2 . .
C16 C15 C14 112.0(3) . .
C16 C15 H15A 109.2 . .
C14 C15 H15A 109.2 . .
C16 C15 H15B 109.2 . .
C14 C15 H15B 109.2 . .
H15A C15 H15B 107.9 . .
C15 C16 C17 111.4(4) . .
C15 C16 H16A 109.3 . .
C17 C16 H16A 109.3 . .
C15 C16 H16B 109.3 . .
C17 C16 H16B 109.3 . .
H16A C16 H16B 108.0 . .
C18 C17 C16 111.1(3) . .
C18 C17 H17A 109.4 . .
C16 C17 H17A 109.4 . .
C18 C17 H17B 109.4 . .
C16 C17 H17B 109.4 . .
H17A C17 H17B 108.0 . .
C17 C18 C13 110.3(3) . .
C17 C18 H18A 109.6 . .
C13 C18 H18A 109.6 . .
C17 C18 H18B 109.6 . .
C13 C18 H18B 109.6 . .
H18A C18 H18B 108.1 . .
C20 C19 C24 109.9(3) . .
C20 C19 P2 111.8(2) . .
C24 C19 P2 117.2(3) . .
C20 C19 H19 105.7 . .
C24 C19 H19 105.7 . .
P2 C19 H19 105.7 . .
C21 C20 C19 111.3(3) . .
C21 C20 H20A 109.4 . .
C19 C20 H20A 109.4 . .
C21 C20 H20B 109.4 . .
C19 C20 H20B 109.4 . .
H20A C20 H20B 108.0 . .
C22 C21 C20 111.2(4) . .
C22 C21 H21A 109.4 . .
C20 C21 H21A 109.4 . .
C22 C21 H21B 109.4 . .
C20 C21 H21B 109.4 . .
H21A C21 H21B 108.0 . .
C23 C22 C21 109.8(3) . .
C23 C22 H22A 109.7 . .
C21 C22 H22A 109.7 . .
C23 C22 H22B 109.7 . .
C21 C22 H22B 109.7 . .
H22A C22 H22B 108.2 . .
C22 C23 C24 112.4(3) . .
C22 C23 H23A 109.1 . .
C24 C23 H23A 109.1 . .
C22 C23 H23B 109.1 . .
C24 C23 H23B 109.1 . .
H23A C23 H23B 107.9 . .
C23 C24 C19 111.0(3) . .
C23 C24 H24A 109.4 . .
C19 C24 H24A 109.4 . .
C23 C24 H24B 109.4 . .
C19 C24 H24B 109.4 . .
H24A C24 H24B 108.0 . .
C26 C25 C30 109.9(3) . .
C26 C25 P2 115.2(2) . .
C30 C25 P2 111.6(2) . .
C26 C25 H25A 106.5 . .
C30 C25 H25A 106.5 . .
P2 C25 H25A 106.5 . .
C27 C26 C25 109.7(3) . .
C27 C26 H26A 109.7 . .
C25 C26 H26A 109.7 . .
C27 C26 H26B 109.7 . .
C25 C26 H26B 109.7 . .
H26A C26 H26B 108.2 . .
C28 C27 C26 111.9(3) . .
C28 C27 H27A 109.2 . .
C26 C27 H27A 109.2 . .
C28 C27 H27B 109.2 . .
C26 C27 H27B 109.2 . .
H27A C27 H27B 107.9 . .
C27 C28 C29 111.9(3) . .
C27 C28 H28A 109.2 . .
C29 C28 H28A 109.2 . .
C27 C28 H28B 109.2 . .
C29 C28 H28B 109.2 . .
H28A C28 H28B 107.9 . .
C28 C29 C30 111.5(3) . .
C28 C29 H29A 109.3 . .
C30 C29 H29A 109.3 . .
C28 C29 H29B 109.3 . .
C30 C29 H29B 109.3 . .
H29A C29 H29B 108.0 . .
C29 C30 C25 110.6(3) . .
C29 C30 H30A 109.5 . .
C25 C30 H30A 109.5 . .
C29 C30 H30B 109.5 . .
C25 C30 H30B 109.5 . .
H30A C30 H30B 108.1 . .
C32 C31 C36 110.5(3) . .
C32 C31 P2 115.8(3) . .
C36 C31 P2 114.4(2) . .
C32 C31 H31 105.0 . .
C36 C31 H31 105.0 . .
P2 C31 H31 105.0 . .
C31 C32 C33 111.3(3) . .
C31 C32 H32A 109.4 . .
C33 C32 H32A 109.4 . .
C31 C32 H32B 109.4 . .
C33 C32 H32B 109.4 . .
H32A C32 H32B 108.0 . .
C34 C33 C32 111.9(3) . .
C34 C33 H33A 109.2 . .
C32 C33 H33A 109.2 . .
C34 C33 H33B 109.2 . .
C32 C33 H33B 109.2 . .
H33A C33 H33B 107.9 . .
C35 C34 C33 110.8(3) . .
C35 C34 H34A 109.5 . .
C33 C34 H34A 109.5 . .
C35 C34 H34B 109.5 . .
C33 C34 H34B 109.5 . .
H34A C34 H34B 108.1 . .
C34 C35 C36 111.1(4) . .
C34 C35 H35A 109.4 . .
C36 C35 H35A 109.4 . .
C34 C35 H35B 109.4 . .
C36 C35 H35B 109.4 . .
H35A C35 H35B 108.0 . .
C35 C36 C31 110.7(3) . .
C35 C36 H36A 109.5 . .
C31 C36 H36A 109.5 . .
C35 C36 H36B 109.5 . .
C31 C36 H36B 109.5 . .
H36A C36 H36B 108.1 . .
C42 C37 C38 109.8(3) . .
C42 C37 P3 115.6(3) . .
C38 C37 P3 114.7(3) . .
C42 C37 H37 105.2 . .
C38 C37 H37 105.2 . .
P3 C37 H37 105.2 . .
C39 C38 C37 110.7(3) . .
C39 C38 H38A 109.5 . .
C37 C38 H38A 109.5 . .
C39 C38 H38B 109.5 . .
C37 C38 H38B 109.5 . .
H38A C38 H38B 108.1 . .
C40 C39 C38 111.9(4) . .
C40 C39 H39A 109.2 . .
C38 C39 H39A 109.2 . .
C40 C39 H39B 109.2 . .
C38 C39 H39B 109.2 . .
H39A C39 H39B 107.9 . .
C39 C40 C41 111.1(4) . .
C39 C40 H40A 109.4 . .
C41 C40 H40A 109.4 . .
C39 C40 H40B 109.4 . .
C41 C40 H40B 109.4 . .
H40A C40 H40B 108.0 . .
C40 C41 C42 111.6(3) . .
C40 C41 H41A 109.3 . .
C42 C41 H41A 109.3 . .
C40 C41 H41B 109.3 . .
C42 C41 H41B 109.3 . .
H41A C41 H41B 108.0 . .
C37 C42 C41 110.4(3) . .
C37 C42 H42A 109.6 . .
C41 C42 H42A 109.6 . .
C37 C42 H42B 109.6 . .
C41 C42 H42B 109.6 . .
H42A C42 H42B 108.1 . .
C48 C43 C44 110.1(3) . .
C48 C43 P3 113.0(2) . .
C44 C43 P3 117.3(3) . .
C48 C43 H43 105.1 . .
C44 C43 H43 105.1 . .
P3 C43 H43 105.1 . .
C45 C44 C43 111.5(3) . .
C45 C44 H44A 109.3 . .
C43 C44 H44A 109.3 . .
C45 C44 H44B 109.3 . .
C43 C44 H44B 109.3 . .
H44A C44 H44B 108.0 . .
C46 C45 C44 111.6(3) . .
C46 C45 H45A 109.3 . .
C44 C45 H45A 109.3 . .
C46 C45 H45B 109.3 . .
C44 C45 H45B 109.3 . .
H45A C45 H45B 108.0 . .
C45 C46 C47 110.5(3) . .
C45 C46 H46A 109.5 . .
C47 C46 H46A 109.5 . .
C45 C46 H46B 109.5 . .
C47 C46 H46B 109.5 . .
H46A C46 H46B 108.1 . .
C46 C47 C48 110.6(3) . .
C46 C47 H47A 109.5 . .
C48 C47 H47A 109.5 . .
C46 C47 H47B 109.5 . .
C48 C47 H47B 109.5 . .
H47A C47 H47B 108.1 . .
C43 C48 C47 110.8(3) . .
C43 C48 H48A 109.5 . .
C47 C48 H48A 109.5 . .
C43 C48 H48B 109.5 . .
C47 C48 H48B 109.5 . .
H48A C48 H48B 108.1 . .
C54 C49 C50 110.3(3) . .
C54 C49 P3 115.7(3) . .
C50 C49 P3 111.9(2) . .
C54 C49 H49 106.1 . .
C50 C49 H49 106.1 . .
P3 C49 H49 106.1 . .
C51 C50 C49 110.9(3) . .
C51 C50 H50A 109.5 . .
C49 C50 H50A 109.5 . .
C51 C50 H50B 109.5 . .
C49 C50 H50B 109.5 . .
H50A C50 H50B 108.0 . .
C52 C51 C50 111.8(3) . .
C52 C51 H51A 109.3 . .
C50 C51 H51A 109.3 . .
C52 C51 H51B 109.3 . .
C50 C51 H51B 109.3 . .
H51A C51 H51B 107.9 . .
C51 C52 C53 111.6(4) . .
C51 C52 H52A 109.3 . .
C53 C52 H52A 109.3 . .
C51 C52 H52B 109.3 . .
C53 C52 H52B 109.3 . .
H52A C52 H52B 108.0 . .
C52 C53 C54 112.0(3) . .
C52 C53 H53A 109.2 . .
C54 C53 H53A 109.2 . .
C52 C53 H53B 109.2 . .
C54 C53 H53B 109.2 . .
H53A C53 H53B 107.9 . .
C49 C54 C53 110.6(3) . .
C49 C54 H54A 109.5 . .
C53 C54 H54A 109.5 . .
C49 C54 H54B 109.5 . .
C53 C54 H54B 109.5 . .
H54A C54 H54B 108.1 . .
C60 C55 C56 110.8(3) . .
C60 C55 P4 115.4(3) . .
C56 C55 P4 114.1(3) . .
C60 C55 H55 105.1 . .
C56 C55 H55 105.1 . .
P4 C55 H55 105.1 . .
C55 C56 C57 110.5(4) . .
C55 C56 H56A 109.5 . .
C57 C56 H56A 109.5 . .
C55 C56 H56B 109.5 . .
C57 C56 H56B 109.5 . .
H56A C56 H56B 108.1 . .
C58 C57 C56 111.2(5) . .
C58 C57 H57A 109.4 . .
C56 C57 H57A 109.4 . .
C58 C57 H57B 109.4 . .
C56 C57 H57B 109.4 . .
H57A C57 H57B 108.0 . .
C57 C58 C59 111.1(4) . .
C57 C58 H58A 109.4 . .
C59 C58 H58A 109.4 . .
C57 C58 H58B 109.4 . .
C59 C58 H58B 109.4 . .
H58A C58 H58B 108.0 . .
C58 C59 C60 111.0(4) . .
C58 C59 H59A 109.4 . .
C60 C59 H59A 109.4 . .
C58 C59 H59B 109.4 . .
C60 C59 H59B 109.4 . .
H59A C59 H59B 108.0 . .
C55 C60 C59 111.0(3) . .
C55 C60 H60A 109.4 . .
C59 C60 H60A 109.4 . .
C55 C60 H60B 109.4 . .
C59 C60 H60B 109.4 . .
H60A C60 H60B 108.0 . .
C66 C61 C62 109.9(3) . .
C66 C61 P4 112.2(3) . .
C62 C61 P4 117.5(3) . .
C66 C61 H61 105.4 . .
C62 C61 H61 105.4 . .
P4 C61 H61 105.4 . .
C63 C62 C61 111.3(4) . .
C63 C62 H62A 109.4 . .
C61 C62 H62A 109.4 . .
C63 C62 H62B 109.4 . .
C61 C62 H62B 109.4 . .
H62A C62 H62B 108.0 . .
C64 C63 C62 112.5(4) . .
C64 C63 H63A 109.1 . .
C62 C63 H63A 109.1 . .
C64 C63 H63B 109.1 . .
C62 C63 H63B 109.1 . .
H63A C63 H63B 107.8 . .
C63 C64 C65 110.6(4) . .
C63 C64 H64A 109.5 . .
C65 C64 H64A 109.5 . .
C63 C64 H64B 109.5 . .
C65 C64 H64B 109.5 . .
H64A C64 H64B 108.1 . .
C64 C65 C66 111.5(4) . .
C64 C65 H65A 109.3 . .
C66 C65 H65A 109.3 . .
C64 C65 H65B 109.3 . .
C66 C65 H65B 109.3 . .
H65A C65 H65B 108.0 . .
C65 C66 C61 111.1(3) . .
C65 C66 H66A 109.4 . .
C61 C66 H66A 109.4 . .
C65 C66 H66B 109.4 . .
C61 C66 H66B 109.4 . .
H66A C66 H66B 108.0 . .
C68 C67 C72 110.3(3) . .
C68 C67 P4 115.0(3) . .
C72 C67 P4 111.4(2) . .
C68 C67 H67 106.5 . .
C72 C67 H67 106.5 . .
P4 C67 H67 106.5 . .
C69 C68 C67 109.6(3) . .
C69 C68 H68A 109.8 . .
C67 C68 H68A 109.8 . .
C69 C68 H68B 109.8 . .
C67 C68 H68B 109.8 . .
H68A C68 H68B 108.2 . .
C70 C69 C68 112.3(3) . .
C70 C69 H69A 109.1 . .
C68 C69 H69A 109.1 . .
C70 C69 H69B 109.1 . .
C68 C69 H69B 109.1 . .
H69A C69 H69B 107.9 . .
C71 C70 C69 111.9(4) . .
C71 C70 H70A 109.2 . .
C69 C70 H70A 109.2 . .
C71 C70 H70B 109.2 . .
C69 C70 H70B 109.2 . .
H70A C70 H70B 107.9 . .
C70 C71 C72 111.6(3) . .
C70 C71 H71A 109.3 . .
C72 C71 H71A 109.3 . .
C70 C71 H71B 109.3 . .
C72 C71 H71B 109.3 . .
H71A C71 H71B 108.0 . .
C71 C72 C67 110.9(3) . .
C71 C72 H72A 109.5 . .
C67 C72 H72A 109.5 . .
C71 C72 H72B 109.5 . .
C67 C72 H72B 109.5 . .
H72A C72 H72B 108.1 . .
C74 C73 C78 110.1(3) . .
C74 C73 P5 112.9(2) . .
C78 C73 P5 117.3(3) . .
C74 C73 H73 105.1 . .
C78 C73 H73 105.1 . .
P5 C73 H73 105.1 . .
C73 C74 C75 110.6(3) . .
C73 C74 H74A 109.5 . .
C75 C74 H74A 109.5 . .
C73 C74 H74B 109.5 . .
C75 C74 H74B 109.5 . .
H74A C74 H74B 108.1 . .
C76 C75 C74 111.0(3) . .
C76 C75 H75A 109.4 . .
C74 C75 H75A 109.4 . .
C76 C75 H75B 109.4 . .
C74 C75 H75B 109.4 . .
H75A C75 H75B 108.0 . .
C75 C76 C77 110.9(3) . .
C75 C76 H76A 109.5 . .
C77 C76 H76A 109.5 . .
C75 C76 H76B 109.5 . .
C77 C76 H76B 109.5 . .
H76A C76 H76B 108.1 . .
C76 C77 C78 112.9(3) . .
C76 C77 H77A 109.0 . .
C78 C77 H77A 109.0 . .
C76 C77 H77B 109.0 . .
C78 C77 H77B 109.0 . .
H77A C77 H77B 107.8 . .
C77 C78 C73 110.9(3) . .
C77 C78 H78A 109.5 . .
C73 C78 H78A 109.5 . .
C77 C78 H78B 109.5 . .
C73 C78 H78B 109.5 . .
H78A C78 H78B 108.0 . .
C80 C79 C84 110.6(3) . .
C80 C79 P5 115.2(2) . .
C84 C79 P5 113.6(2) . .
C80 C79 H79 105.5 . .
C84 C79 H79 105.5 . .
P5 C79 H79 105.5 . .
C81 C80 C79 110.7(3) . .
C81 C80 H80A 109.5 . .
C79 C80 H80A 109.5 . .
C81 C80 H80B 109.5 . .
C79 C80 H80B 109.5 . .
H80A C80 H80B 108.1 . .
C82 C81 C80 111.5(3) . .
C82 C81 H81A 109.3 . .
C80 C81 H81A 109.3 . .
C82 C81 H81B 109.3 . .
C80 C81 H81B 109.3 . .
H81A C81 H81B 108.0 . .
C81 C82 C83 110.8(3) . .
C81 C82 H82A 109.5 . .
C83 C82 H82A 109.5 . .
C81 C82 H82B 109.5 . .
C83 C82 H82B 109.5 . .
H82A C82 H82B 108.1 . .
C82 C83 C84 111.1(3) . .
C82 C83 H83A 109.4 . .
C84 C83 H83A 109.4 . .
C82 C83 H83B 109.4 . .
C84 C83 H83B 109.4 . .
H83A C83 H83B 108.0 . .
C83 C84 C79 111.0(3) . .
C83 C84 H84A 109.4 . .
C79 C84 H84A 109.4 . .
C83 C84 H84B 109.4 . .
C79 C84 H84B 109.4 . .
H84A C84 H84B 108.0 . .
C90 C85 C86 109.9(3) . .
C90 C85 P5 115.4(2) . .
C86 C85 P5 111.2(2) . .
C90 C85 H85 106.6 . .
C86 C85 H85 106.6 . .
P5 C85 H85 106.6 . .
C87 C86 C85 110.7(3) . .
C87 C86 H86A 109.5 . .
C85 C86 H86A 109.5 . .
C87 C86 H86B 109.5 . .
C85 C86 H86B 109.5 . .
H86A C86 H86B 108.1 . .
C88 C87 C86 111.9(3) . .
C88 C87 H87A 109.2 . .
C86 C87 H87A 109.2 . .
C88 C87 H87B 109.2 . .
C86 C87 H87B 109.2 . .
H87A C87 H87B 107.9 . .
C87 C88 C89 111.5(3) . .
C87 C88 H88A 109.3 . .
C89 C88 H88A 109.3 . .
C87 C88 H88B 109.3 . .
C89 C88 H88B 109.3 . .
H88A C88 H88B 108.0 . .
C90 C89 C88 111.7(3) . .
C90 C89 H89A 109.3 . .
C88 C89 H89A 109.3 . .
C90 C89 H89B 109.3 . .
C88 C89 H89B 109.3 . .
H89A C89 H89B 107.9 . .
C85 C90 C89 109.6(3) . .
C85 C90 H90A 109.7 . .
C89 C90 H90A 109.7 . .
C85 C90 H90B 109.7 . .
C89 C90 H90B 109.7 . .
H90A C90 H90B 108.2 . .
C92 C91 C96 110.2(3) . .
C92 C91 P6 112.9(3) . .
C96 C91 P6 116.8(3) . .
C92 C91 H91 105.3 . .
C96 C91 H91 105.3 . .
P6 C91 H91 105.3 . .
C93 C92 C91 111.0(3) . .
C93 C92 H92A 109.4 . .
C91 C92 H92A 109.4 . .
C93 C92 H92B 109.4 . .
C91 C92 H92B 109.4 . .
H92A C92 H92B 108.0 . .
C92 C93 C94 110.7(4) . .
C92 C93 H93A 109.5 . .
C94 C93 H93A 109.5 . .
C92 C93 H93B 109.5 . .
C94 C93 H93B 109.5 . .
H93A C93 H93B 108.1 . .
C95 C94 C93 110.6(4) . .
C95 C94 H94A 109.5 . .
C93 C94 H94A 109.5 . .
C95 C94 H94B 109.5 . .
C93 C94 H94B 109.5 . .
H94A C94 H94B 108.1 . .
C94 C95 C96 111.8(4) . .
C94 C95 H95A 109.3 . .
C96 C95 H95A 109.3 . .
C94 C95 H95B 109.3 . .
C96 C95 H95B 109.3 . .
H95A C95 H95B 107.9 . .
C95 C96 C91 111.6(4) . .
C95 C96 H96A 109.3 . .
C91 C96 H96A 109.3 . .
C95 C96 H96B 109.3 . .
C91 C96 H96B 109.3 . .
H96A C96 H96B 108.0 . .
C98 C97 C102 109.8(3) . .
C98 C97 P6 116.2(3) . .
C102 C97 P6 114.9(3) . .
C98 C97 H97 104.9 . .
C102 C97 H97 104.9 . .
P6 C97 H97 104.9 . .
C97 C98 C99 111.1(3) . .
C97 C98 H98A 109.4 . .
C99 C98 H98A 109.4 . .
C97 C98 H98B 109.4 . .
C99 C98 H98B 109.4 . .
H98A C98 H98B 108.0 . .
C100 C99 C98 111.3(3) . .
C100 C99 H99A 109.4 . .
C98 C99 H99A 109.4 . .
C100 C99 H99B 109.4 . .
C98 C99 H99B 109.4 . .
H99A C99 H99B 108.0 . .
C101 C100 C99 110.7(4) . .
C101 C100 H10C 109.5 . .
C99 C100 H10C 109.5 . .
C101 C100 H10D 109.5 . .
C99 C100 H10D 109.5 . .
H10C C100 H10D 108.1 . .
C100 C101 C102 110.8(4) . .
C100 C101 H10E 109.5 . .
C102 C101 H10E 109.5 . .
C100 C101 H10F 109.5 . .
C102 C101 H10F 109.5 . .
H10E C101 H10F 108.1 . .
C101 C102 C97 110.5(3) . .
C101 C102 H10G 109.6 . .
C97 C102 H10G 109.6 . .
C101 C102 H10H 109.6 . .
C97 C102 H10H 109.6 . .
H10G C102 H10H 108.1 . .
C104 C103 C108 110.2(3) . .
C104 C103 P6 113.4(3) . .
C108 C103 P6 114.1(2) . .
C104 C103 H103 106.2 . .
C108 C103 H103 106.2 . .
P6 C103 H103 106.2 . .
C105 C104 C103 110.7(3) . .
C105 C104 H10I 109.5 . .
C103 C104 H10I 109.5 . .
C105 C104 H10J 109.5 . .
C103 C104 H10J 109.5 . .
H10I C104 H10J 108.1 . .
C106 C105 C104 111.5(3) . .
C106 C105 H10K 109.3 . .
C104 C105 H10K 109.3 . .
C106 C105 H10L 109.3 . .
C104 C105 H10L 109.3 . .
H10K C105 H10L 108.0 . .
C107 C106 C105 112.4(4) . .
C107 C106 H10M 109.1 . .
C105 C106 H10M 109.1 . .
C107 C106 H10N 109.1 . .
C105 C106 H10N 109.1 . .
H10M C106 H10N 107.9 . .
C106 C107 C108 111.7(3) . .
C106 C107 H10O 109.3 . .
C108 C107 H10O 109.3 . .
C106 C107 H10P 109.3 . .
C108 C107 H10P 109.3 . .
H10O C107 H10P 107.9 . .
C107 C108 C103 110.2(3) . .
C107 C108 H10Q 109.6 . .
C103 C108 H10Q 109.6 . .
C107 C108 H10R 109.6 . .
C103 C108 H10R 109.6 . .
H10Q C108 H10R 108.1 . .
C110 B1 C134 111.0(3) . .
C110 B1 C126 110.2(3) . .
C134 B1 C126 109.2(3) . .
C110 B1 C118 106.1(3) . .
C134 B1 C118 109.8(3) . .
C126 B1 C118 110.6(3) . .
C111 C110 C115 115.4(3) . .
C111 C110 B1 121.5(3) . .
C115 C110 B1 122.5(3) . .
C112 C111 C110 122.7(4) . .
C112 C111 H111 118.7 . .
C110 C111 H111 118.7 . .
C113 C112 C111 120.5(4) . .
C113 C112 C116 119.3(4) . .
C111 C112 C116 120.1(4) . .
C112 C113 C114 118.1(4) . .
C112 C113 H113 120.9 . .
C114 C113 H113 120.9 . .
C115 C114 C113 121.0(4) . .
C115 C114 C117 120.9(4) . .
C113 C114 C117 118.1(4) . .
C114 C115 C110 122.2(4) . .
C114 C115 H115 118.9 . .
C110 C115 H115 118.9 . .
F1 C116 F3 106.9(4) . .
F1 C116 F2 106.4(4) . .
F3 C116 F2 104.4(4) . .
F1 C116 C112 113.2(3) . .
F3 C116 C112 113.3(4) . .
F2 C116 C112 112.0(4) . .
F5 C117 F4 107.8(4) . .
F5 C117 F6 106.3(4) . .
F4 C117 F6 105.1(3) . .
F5 C117 C114 112.2(3) . .
F4 C117 C114 112.2(4) . .
F6 C117 C114 112.8(4) . .
C119 C118 C123 114.6(3) . .
C119 C118 B1 122.6(3) . .
C123 C118 B1 122.8(3) . .
C120 C119 C118 122.9(4) . .
C120 C119 H119 118.5 . .
C118 C119 H119 118.5 . .
C121 C120 C119 120.8(4) . .
C121 C120 C124 120.2(4) . .
C119 C120 C124 118.9(4) . .
C120 C121 C122 118.2(4) . .
C120 C121 H121 120.9 . .
C122 C121 H121 120.9 . .
C121 C122 C123 120.8(4) . .
C121 C122 C125 119.1(4) . .
C123 C122 C125 119.7(4) . .
C122 C123 C118 122.5(4) . .
C122 C123 H123 118.7 . .
C118 C123 H123 118.7 . .
F9 C124 F7 107.3(5) . .
F9 C124 F8 106.6(5) . .
F7 C124 F8 100.4(5) . .
F9 C124 C120 115.5(5) . .
F7 C124 C120 113.2(4) . .
F8 C124 C120 112.6(4) . .
F10 C125 F11 108.1(5) . .
F10 C125 F12 106.5(4) . .
F11 C125 F12 104.5(4) . .
F10 C125 C122 111.9(4) . .
F11 C125 C122 112.5(4) . .
F12 C125 C122 112.8(4) . .
C127 C126 C131 115.7(3) . .
C127 C126 B1 122.8(3) . .
C131 C126 B1 121.5(3) . .
C128 C127 C126 122.7(3) . .
C128 C127 H127 118.7 . .
C126 C127 H127 118.7 . .
C127 C128 C129 120.3(4) . .
C127 C128 C133 119.7(4) . .
C129 C128 C133 119.7(4) . .
C130 C129 C128 118.4(4) . .
C130 C129 H129 120.8 . .
C128 C129 H129 120.8 . .
C129 C130 C131 121.1(4) . .
C129 C130 C132 120.5(4) . .
C131 C130 C132 118.4(4) . .
C130 C131 C126 121.9(4) . .
C130 C131 H131 119.1 . .
C126 C131 H131 119.1 . .
F18 C132 F16 104.5(4) . .
F18 C132 F17 107.7(4) . .
F16 C132 F17 105.6(4) . .
F18 C132 C130 113.0(4) . .
F16 C132 C130 112.7(4) . .
F17 C132 C130 112.7(4) . .
F13 C133 F14 107.0(4) . .
F13 C133 F15 105.3(4) . .
F14 C133 F15 104.6(4) . .
F13 C133 C128 113.2(3) . .
F14 C133 C128 112.4(4) . .
F15 C133 C128 113.6(4) . .
C135 C134 C139 116.0(3) . .
C135 C134 B1 121.1(3) . .
C139 C134 B1 122.9(3) . .
C136 C135 C134 122.3(4) . .
C136 C135 H135 118.8 . .
C134 C135 H135 118.8 . .
C135 C136 C137 120.0(4) . .
C135 C136 C140 120.7(4) . .
C137 C136 C140 119.2(4) . .
C138 C137 C136 118.8(4) . .
C138 C137 H137 120.6 . .
C136 C137 H137 120.6 . .
C137 C138 C139 120.5(4) . .
C137 C138 C141 118.4(4) . .
C139 C138 C141 121.0(4) . .
C138 C139 C134 122.3(4) . .
C138 C139 H139 118.9 . .
C134 C139 H139 118.9 . .
F19 C140 F21 106.7(6) . .
F19 C140 F20 103.3(7) . .
F21 C140 F20 102.1(6) . .
F19 C140 C136 113.6(5) . .
F21 C140 C136 116.1(5) . .
F20 C140 C136 113.7(5) . .
F24 C141 F22 106.2(4) . .
F24 C141 F23 105.8(3) . .
F22 C141 F23 106.5(4) . .
F24 C141 C138 113.1(3) . .
F22 C141 C138 113.0(3) . .
F23 C141 C138 111.7(4) . .
C150 B2 C158 107.7(3) . .
C150 B2 C142 110.1(3) . .
C158 B2 C142 109.9(3) . .
C150 B2 C166 110.9(3) . .
C158 B2 C166 111.7(3) . .
C142 B2 C166 106.6(3) . .
C147 C142 C143 115.4(4) . .
C147 C142 B2 119.1(4) . .
C143 C142 B2 125.5(4) . .
C142 C143 C144 122.6(5) . .
C142 C143 H143 118.7 . .
C144 C143 H143 118.7 . .
C145 C144 C143 120.8(5) . .
C145 C144 C148 118.4(5) . .
C143 C144 C148 120.8(6) . .
C144 C145 C146 117.7(4) . .
C144 C145 H145 121.2 . .
C146 C145 H145 121.2 . .
C147 C146 C145 120.7(5) . .
C147 C146 C149 119.5(5) . .
C145 C146 C149 119.8(5) . .
C146 C147 C142 122.8(4) . .
C146 C147 H147 118.6 . .
C142 C147 H147 118.6 . .
F25 C148 F26 119.6(7) . .
F25 C148 F27 97.3(6) . .
F26 C148 F27 96.7(5) . .
F25 C148 C144 115.7(6) . .
F26 C148 C144 113.0(5) . .
F27 C148 C144 110.9(6) . .
F30 C149 F28 112.6(8) . .
F30 C149 F29 103.1(6) . .
F28 C149 F29 100.1(6) . .
F30 C149 C146 116.2(5) . .
F28 C149 C146 112.4(5) . .
F29 C149 C146 110.8(7) . .
C155 C150 C151 115.4(4) . .
C155 C150 B2 125.7(4) . .
C151 C150 B2 118.9(4) . .
C152 C151 C150 122.7(5) . .
C152 C151 H151 118.6 . .
C150 C151 H151 118.6 . .
C151 C152 C153 120.3(5) . .
C151 C152 C156 119.8(7) . .
C153 C152 C156 119.9(6) . .
C154 C153 C152 117.9(5) . .
C154 C153 H153 121.0 . .
C152 C153 H153 121.0 . .
C153 C154 C155 121.2(5) . .
C153 C154 C157 120.2(6) . .
C155 C154 C157 118.5(6) . .
C150 C155 C154 122.3(5) . .
C150 C155 H155 118.8 . .
C154 C155 H155 118.8 . .
F32 C156 F33 106.2(8) . .
F32 C156 F31 98.6(10) . .
F33 C156 F31 105.6(10) . .
F32 C156 C152 117.3(9) . .
F33 C156 C152 114.3(7) . .
F31 C156 C152 113.2(8) . .
F36 C157 F35 115.7(6) . .
F36 C157 F34 99.4(9) . .
F35 C157 F34 94.2(7) . .
F36 C157 C154 115.8(6) . .
F35 C157 C154 116.8(7) . .
F34 C157 C154 110.7(6) . .
C159 C158 C163 115.3(4) . .
C159 C158 B2 124.5(4) . .
C163 C158 B2 120.1(4) . .
C160 C159 C158 122.7(4) . .
C160 C159 H159 118.7 . .
C158 C159 H159 118.7 . .
C161 C160 C159 120.6(4) . .
C161 C160 C164 119.4(4) . .
C159 C160 C164 119.9(4) . .
C160 C161 C162 118.3(4) . .
C160 C161 H161 120.9 . .
C162 C161 H161 120.9 . .
C161 C162 C163 121.0(4) . .
C161 C162 C165 119.0(4) . .
C163 C162 C165 120.0(4) . .
C162 C163 C158 122.1(4) . .
C162 C163 H163 118.9 . .
C158 C163 H163 118.9 . .
F39 C164 F37 106.9(6) . .
F39 C164 F38 103.4(6) . .
F37 C164 F38 99.3(6) . .
F39 C164 C160 115.8(5) . .
F37 C164 C160 115.9(4) . .
F38 C164 C160 113.6(4) . .
F42 C165 F40 107.4(4) . .
F42 C165 F41 105.9(5) . .
F40 C165 F41 102.5(5) . .
F42 C165 C162 114.1(4) . .
F40 C165 C162 113.5(5) . .
F41 C165 C162 112.5(4) . .
C171 C166 C167 115.0(4) . .
C171 C166 B2 119.3(4) . .
C167 C166 B2 125.7(4) . .
C168 C167 C166 122.2(4) . .
C168 C167 H167 118.9 . .
C166 C167 H167 118.9 . .
C169 C168 C167 121.4(4) . .
C169 C168 C172 118.0(4) . .
C167 C168 C172 120.6(4) . .
C170 C169 C168 117.6(4) . .
C170 C169 H169 121.2 . .
C168 C169 H169 121.2 . .
C169 C170 C171 120.8(4) . .
C169 C170 C173 119.8(4) . .
C171 C170 C173 119.4(4) . .
C170 C171 C166 122.8(4) . .
C170 C171 H171 118.6 . .
C166 C171 H171 118.6 . .
F44 C172 F43 109.6(6) . .
F44 C172 F45 101.6(6) . .
F43 C172 F45 102.6(5) . .
F44 C172 C168 114.4(5) . .
F43 C172 C168 113.6(5) . .
F45 C172 C168 113.8(5) . .
F48 C173 F46 107.4(5) . .
F48 C173 F47 104.7(5) . .
F46 C173 F47 105.2(4) . .
F48 C173 C170 112.9(4) . .
F46 C173 C170 114.2(5) . .
F47 C173 C170 111.7(4) . .
Cl1 C200 Cl2 113.4(6) . .
Cl1 C200 Cl2A 145.5(10) . .
Cl2 C200 Cl2A 43.6(9) . .
Cl1 C200 H20C 108.9 . .
Cl2 C200 H20C 108.9 . .
Cl2A C200 H20C 104.0 . .
Cl1 C200 H20D 108.9 . .
Cl2 C200 H20D 108.9 . .
Cl2A C200 H20D 69.6 . .
H20C C200 H20D 107.7 . .
Cl4 C300 Cl3 121.2(11) . .
Cl4 C300 H30C 107.0 . .
Cl3 C300 H30C 107.0 . .
Cl4 C300 H30D 107.0 . .
Cl3 C300 H30D 107.0 . .
H30C C300 H30D 106.8 . .
Cl6 C400 Cl5 109.8(8) . .
Cl6 C400 H40C 109.7 . .
Cl5 C400 H40C 109.7 . .
Cl6 C400 H40D 109.7 . .
Cl5 C400 H40D 109.7 . .
H40C C400 H40D 108.2 . .
C402 C401 C406 120.0 . .
C402 C401 C407 113.1(11) . .
C406 C401 C407 126.1(11) . .
C403 C402 C401 120.0 . .
C403 C402 H402 120.0 . .
C401 C402 H402 120.0 . .
C404 C403 C402 120.0 . .
C404 C403 H403 120.0 . .
C402 C403 H403 120.0 . .
C405 C404 C403 120.0 . .
C405 C404 H404 120.0 . .
C403 C404 H404 120.0 . .
C406 C405 C404 120.0 . .
C406 C405 H405 120.0 . .
C404 C405 H405 120.0 . .
C405 C406 C401 120.0 . .
C405 C406 H406 120.0 . .
C401 C406 H406 120.0 . .
C502 C501 C506 120.0 . .
C502 C501 C507 121.8(12) . .
C506 C501 C507 116.7(12) . .
C503 C502 C501 120.0 . .
C503 C502 H502 120.0 . .
C501 C502 H502 120.0 . .
C504 C503 C502 120.0 . .
C504 C503 H503 120.0 . .
C502 C503 H503 120.0 . .
C503 C504 C505 120.0 . .
C503 C504 H504 120.0 . .
C505 C504 H504 120.0 . .
C506 C505 C504 120.0 . .
C506 C505 H505 120.0 . .
C504 C505 H505 120.0 . .
C505 C506 C501 120.0 . .
C505 C506 H506 120.0 . .
C501 C506 H506 120.0 . .
Cl8 C500 Cl7 112.5(12) . .
Cl8 C500 H50F 109.1 . .
Cl7 C500 H50F 109.1 . .
Cl8 C500 H50G 109.1 . .
Cl7 C500 H50G 109.1 . .
H50F C500 H50G 107.8 . .
Cl9 C600 Cl9 99.8(11) 2_556 .
Cl9 C600 H60C 111.8 2_556 .
Cl9 C600 H60C 111.8 . .
Cl9 C600 H60D 111.8 2_556 .
Cl9 C600 H60D 111.8 . .
H60C C600 H60D 109.5 . .
Cl10 C700 Cl10 116(2) 5_566 .
Cl10 C700 H70C 108.3 5_566 .
Cl10 C700 H70C 108.3 . .
Cl10 C700 H70D 108.3 5_566 .
Cl10 C700 H70D 108.3 . .
H70C C700 H70D 107.4 . .
C700 Cl10 C700 64(2) 5_566 .
Cl11 C800 Cl12 173(3) . .
Cl11 C800 H80C 92.2 . .
Cl12 C800 H80C 92.2 . .
Cl11 C800 H80D 92.2 . .
Cl12 C800 H80D 92.2 . .
H80C C800 H80D 103.0 . .
Cl12 Cl11 C800 21(2) 2_556 .
C800 Cl12 Cl11 132(4) 2_556 2_556
C800 Cl12 C800 20(4) 2_556 .
Cl11 Cl12 C800 152(2) 2_556 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh1 P1 2.2617(9) .
Rh1 Rh4 2.7228(4) .
Rh1 Rh5 2.7355(4) .
Rh1 Rh6 2.7370(4) .
Rh1 Rh2 2.7427(4) .
Rh1 Rh3 3.8693(4) .
Rh1 H12 1.75(5) .
Rh1 H14 1.73(5) .
Rh1 H15 1.81(5) .
Rh1 H16 1.72(5) .
Rh2 P2 2.2606(9) .
Rh2 Rh5 2.7182(4) .
Rh2 Rh6 2.7360(4) .
Rh2 Rh3 2.7416(4) .
Rh2 Rh4 3.8689(4) .
Rh2 H12 1.73(5) .
Rh2 H23 1.68(6) .
Rh2 H25 1.68(6) .
Rh2 H26 1.66(6) .
Rh3 P3 2.2625(9) .
Rh3 Rh6 2.7212(4) .
Rh3 Rh5 2.7343(4) .
Rh3 Rh4 2.7367(4) .
Rh3 H23 1.82(6) .
Rh3 H34 1.74(5) .
Rh3 H35 1.89(5) .
Rh3 H36 1.81(5) .
Rh4 P4 2.2625(9) .
Rh4 Rh5 2.7313(4) .
Rh4 Rh6 2.7418(4) .
Rh4 H14 1.84(5) .
Rh4 H34 1.87(5) .
Rh4 H45 1.73(7) .
Rh4 H46 1.82(6) .
Rh5 P5 2.2597(9) .
Rh5 Rh6 3.8577(3) .
Rh5 H15 1.77(5) .
Rh5 H25 1.80(6) .
Rh5 H35 1.80(5) .
Rh5 H45 1.76(7) .
Rh6 P6 2.2637(9) .
Rh6 H16 1.80(5) .
Rh6 H26 1.80(6) .
Rh6 H36 1.76(6) .
Rh6 H46 1.86(6) .
P1 C13 1.851(4) .
P1 C1 1.852(3) .
P1 C7 1.863(4) .
P2 C25 1.852(3) .
P2 C31 1.859(3) .
P2 C19 1.860(4) .
P3 C49 1.848(4) .
P3 C37 1.858(4) .
P3 C43 1.867(4) .
P4 C55 1.857(4) .
P4 C67 1.858(4) .
P4 C61 1.861(4) .
P5 C85 1.847(3) .
P5 C79 1.855(3) .
P5 C73 1.871(3) .
P6 C103 1.847(4) .
P6 C97 1.850(4) .
P6 C91 1.868(4) .
F1 C116 1.318(5) .
F2 C116 1.332(5) .
F3 C116 1.323(5) .
F4 C117 1.335(5) .
F5 C117 1.328(5) .
F6 C117 1.351(5) .
F7 C124 1.324(7) .
F8 C124 1.331(7) .
F9 C124 1.253(6) .
F10 C125 1.324(6) .
F11 C125 1.334(6) .
F12 C125 1.338(5) .
F13 C133 1.332(5) .
F14 C133 1.335(5) .
F15 C133 1.341(5) .
F16 C132 1.336(6) .
F17 C132 1.342(5) .
F18 C132 1.331(5) .
F19 C140 1.224(8) .
F20 C140 1.299(7) .
F21 C140 1.266(6) .
F22 C141 1.328(5) .
F23 C141 1.328(5) .
F24 C141 1.322(5) .
F25 C148 1.264(8) .
F26 C148 1.298(7) .
F27 C148 1.388(9) .
F28 C149 1.295(7) .
F29 C149 1.316(8) .
F30 C149 1.254(8) .
F31 C156 1.310(12) .
F32 C156 1.193(10) .
F33 C156 1.291(9) .
F34 C157 1.428(11) .
F35 C157 1.275(8) .
F36 C157 1.260(8) .
F37 C164 1.255(6) .
F38 C164 1.280(7) .
F39 C164 1.243(6) .
F40 C165 1.325(6) .
F41 C165 1.348(7) .
F42 C165 1.312(6) .
F43 C172 1.300(7) .
F44 C172 1.277(7) .
F45 C172 1.319(6) .
F46 C173 1.330(6) .
F47 C173 1.344(6) .
F48 C173 1.322(6) .
C1 C2 1.542(5) .
C1 C6 1.550(5) .
C1 H1 1.0000 .
C2 C3 1.538(5) .
C2 H2A 0.9900 .
C2 H2B 0.9900 .
C3 C4 1.529(6) .
C3 H3A 0.9900 .
C3 H3B 0.9900 .
C4 C5 1.512(6) .
C4 H4A 0.9900 .
C4 H4B 0.9900 .
C5 C6 1.533(5) .
C5 H5A 0.9900 .
C5 H5B 0.9900 .
C6 H6A 0.9900 .
C6 H6B 0.9900 .
C7 C8 1.533(5) .
C7 C12 1.545(5) .
C7 H7 1.0000 .
C8 C9 1.522(5) .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C9 C10 1.529(5) .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C10 C11 1.522(6) .
C10 H10A 0.9900 .
C10 H10B 0.9900 .
C11 C12 1.531(5) .
C11 H11A 0.9900 .
C11 H11B 0.9900 .
C12 H12A 0.9900 .
C12 H12B 0.9900 .
C13 C18 1.532(5) .
C13 C14 1.533(5) .
C13 H13 1.0000 .
C14 C15 1.526(5) .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C15 C16 1.518(6) .
C15 H15A 0.9900 .
C15 H15B 0.9900 .
C16 C17 1.528(6) .
C16 H16A 0.9900 .
C16 H16B 0.9900 .
C17 C18 1.527(5) .
C17 H17A 0.9900 .
C17 H17B 0.9900 .
C18 H18A 0.9900 .
C18 H18B 0.9900 .
C19 C20 1.537(5) .
C19 C24 1.547(5) .
C19 H19 1.0000 .
C20 C21 1.526(5) .
C20 H20A 0.9900 .
C20 H20B 0.9900 .
C21 C22 1.525(6) .
C21 H21A 0.9900 .
C21 H21B 0.9900 .
C22 C23 1.514(6) .
C22 H22A 0.9900 .
C22 H22B 0.9900 .
C23 C24 1.535(5) .
C23 H23A 0.9900 .
C23 H23B 0.9900 .
C24 H24A 0.9900 .
C24 H24B 0.9900 .
C25 C26 1.535(5) .
C25 C30 1.537(5) .
C25 H25A 1.0000 .
C26 C27 1.535(5) .
C26 H26A 0.9900 .
C26 H26B 0.9900 .
C27 C28 1.514(6) .
C27 H27A 0.9900 .
C27 H27B 0.9900 .
C28 C29 1.524(6) .
C28 H28A 0.9900 .
C28 H28B 0.9900 .
C29 C30 1.530(5) .
C29 H29A 0.9900 .
C29 H29B 0.9900 .
C30 H30A 0.9900 .
C30 H30B 0.9900 .
C31 C32 1.528(5) .
C31 C36 1.541(5) .
C31 H31 1.0000 .
C32 C33 1.531(5) .
C32 H32A 0.9900 .
C32 H32B 0.9900 .
C33 C34 1.530(6) .
C33 H33A 0.9900 .
C33 H33B 0.9900 .
C34 C35 1.520(6) .
C34 H34A 0.9900 .
C34 H34B 0.9900 .
C35 C36 1.533(6) .
C35 H35A 0.9900 .
C35 H35B 0.9900 .
C36 H36A 0.9900 .
C36 H36B 0.9900 .
C37 C42 1.532(5) .
C37 C38 1.543(5) .
C37 H37 1.0000 .
C38 C39 1.533(6) .
C38 H38A 0.9900 .
C38 H38B 0.9900 .
C39 C40 1.510(7) .
C39 H39A 0.9900 .
C39 H39B 0.9900 .
C40 C41 1.523(6) .
C40 H40A 0.9900 .
C40 H40B 0.9900 .
C41 C42 1.537(5) .
C41 H41A 0.9900 .
C41 H41B 0.9900 .
C42 H42A 0.9900 .
C42 H42B 0.9900 .
C43 C48 1.523(5) .
C43 C44 1.537(5) .
C43 H43 1.0000 .
C44 C45 1.534(5) .
C44 H44A 0.9900 .
C44 H44B 0.9900 .
C45 C46 1.519(6) .
C45 H45A 0.9900 .
C45 H45B 0.9900 .
C46 C47 1.528(6) .
C46 H46A 0.9900 .
C46 H46B 0.9900 .
C47 C48 1.536(5) .
C47 H47A 0.9900 .
C47 H47B 0.9900 .
C48 H48A 0.9900 .
C48 H48B 0.9900 .
C49 C54 1.524(5) .
C49 C50 1.538(5) .
C49 H49 1.0000 .
C50 C51 1.530(5) .
C50 H50A 0.9900 .
C50 H50B 0.9900 .
C51 C52 1.519(6) .
C51 H51A 0.9900 .
C51 H51B 0.9900 .
C52 C53 1.525(6) .
C52 H52A 0.9900 .
C52 H52B 0.9900 .
C53 C54 1.535(5) .
C53 H53A 0.9900 .
C53 H53B 0.9900 .
C54 H54A 0.9900 .
C54 H54B 0.9900 .
C55 C60 1.533(5) .
C55 C56 1.537(5) .
C55 H55 1.0000 .
C56 C57 1.537(6) .
C56 H56A 0.9900 .
C56 H56B 0.9900 .
C57 C58 1.507(8) .
C57 H57A 0.9900 .
C57 H57B 0.9900 .
C58 C59 1.534(6) .
C58 H58A 0.9900 .
C58 H58B 0.9900 .
C59 C60 1.535(6) .
C59 H59A 0.9900 .
C59 H59B 0.9900 .
C60 H60A 0.9900 .
C60 H60B 0.9900 .
C61 C66 1.536(5) .
C61 C62 1.540(5) .
C61 H61 1.0000 .
C62 C63 1.533(6) .
C62 H62A 0.9900 .
C62 H62B 0.9900 .
C63 C64 1.512(6) .
C63 H63A 0.9900 .
C63 H63B 0.9900 .
C64 C65 1.519(6) .
C64 H64A 0.9900 .
C64 H64B 0.9900 .
C65 C66 1.525(6) .
C65 H65A 0.9900 .
C65 H65B 0.9900 .
C66 H66A 0.9900 .
C66 H66B 0.9900 .
C67 C68 1.535(5) .
C67 C72 1.536(5) .
C67 H67 1.0000 .
C68 C69 1.531(5) .
C68 H68A 0.9900 .
C68 H68B 0.9900 .
C69 C70 1.521(6) .
C69 H69A 0.9900 .
C69 H69B 0.9900 .
C70 C71 1.519(6) .
C70 H70A 0.9900 .
C70 H70B 0.9900 .
C71 C72 1.532(5) .
C71 H71A 0.9900 .
C71 H71B 0.9900 .
C72 H72A 0.9900 .
C72 H72B 0.9900 .
C73 C74 1.527(5) .
C73 C78 1.542(5) .
C73 H73 1.0000 .
C74 C75 1.539(5) .
C74 H74A 0.9900 .
C74 H74B 0.9900 .
C75 C76 1.510(6) .
C75 H75A 0.9900 .
C75 H75B 0.9900 .
C76 C77 1.522(6) .
C76 H76A 0.9900 .
C76 H76B 0.9900 .
C77 C78 1.534(5) .
C77 H77A 0.9900 .
C77 H77B 0.9900 .
C78 H78A 0.9900 .
C78 H78B 0.9900 .
C79 C80 1.533(5) .
C79 C84 1.543(5) .
C79 H79 1.0000 .
C80 C81 1.533(5) .
C80 H80A 0.9900 .
C80 H80B 0.9900 .
C81 C82 1.512(5) .
C81 H81A 0.9900 .
C81 H81B 0.9900 .
C82 C83 1.528(6) .
C82 H82A 0.9900 .
C82 H82B 0.9900 .
C83 C84 1.529(5) .
C83 H83A 0.9900 .
C83 H83B 0.9900 .
C84 H84A 0.9900 .
C84 H84B 0.9900 .
C85 C90 1.533(5) .
C85 C86 1.536(5) .
C85 H85 1.0000 .
C86 C87 1.526(5) .
C86 H86A 0.9900 .
C86 H86B 0.9900 .
C87 C88 1.515(6) .
C87 H87A 0.9900 .
C87 H87B 0.9900 .
C88 C89 1.543(5) .
C88 H88A 0.9900 .
C88 H88B 0.9900 .
C89 C90 1.536(5) .
C89 H89A 0.9900 .
C89 H89B 0.9900 .
C90 H90A 0.9900 .
C90 H90B 0.9900 .
C91 C92 1.533(5) .
C91 C96 1.537(5) .
C91 H91 1.0000 .
C92 C93 1.526(6) .
C92 H92A 0.9900 .
C92 H92B 0.9900 .
C93 C94 1.538(6) .
C93 H93A 0.9900 .
C93 H93B 0.9900 .
C94 C95 1.521(7) .
C94 H94A 0.9900 .
C94 H94B 0.9900 .
C95 C96 1.536(6) .
C95 H95A 0.9900 .
C95 H95B 0.9900 .
C96 H96A 0.9900 .
C96 H96B 0.9900 .
C97 C98 1.535(5) .
C97 C102 1.545(5) .
C97 H97 1.0000 .
C98 C99 1.536(5) .
C98 H98A 0.9900 .
C98 H98B 0.9900 .
C99 C100 1.529(6) .
C99 H99A 0.9900 .
C99 H99B 0.9900 .
C100 C101 1.511(7) .
C100 H10C 0.9900 .
C100 H10D 0.9900 .
C101 C102 1.538(6) .
C101 H10E 0.9900 .
C101 H10F 0.9900 .
C102 H10G 0.9900 .
C102 H10H 0.9900 .
C103 C104 1.531(5) .
C103 C108 1.543(5) .
C103 H103 1.0000 .
C104 C105 1.531(5) .
C104 H10I 0.9900 .
C104 H10J 0.9900 .
C105 C106 1.521(6) .
C105 H10K 0.9900 .
C105 H10L 0.9900 .
C106 C107 1.519(6) .
C106 H10M 0.9900 .
C106 H10N 0.9900 .
C107 C108 1.530(5) .
C107 H10O 0.9900 .
C107 H10P 0.9900 .
C108 H10Q 0.9900 .
C108 H10R 0.9900 .
B1 C110 1.636(5) .
B1 C134 1.647(5) .
B1 C126 1.650(5) .
B1 C118 1.657(6) .
C110 C111 1.401(5) .
C110 C115 1.404(5) .
C111 C112 1.393(5) .
C111 H111 0.9500 .
C112 C113 1.385(6) .
C112 C116 1.491(6) .
C113 C114 1.388(6) .
C113 H113 0.9500 .
C114 C115 1.388(5) .
C114 C117 1.498(6) .
C115 H115 0.9500 .
C118 C119 1.408(5) .
C118 C123 1.409(5) .
C119 C120 1.386(6) .
C119 H119 0.9500 .
C120 C121 1.382(6) .
C120 C124 1.487(6) .
C121 C122 1.383(6) .
C121 H121 0.9500 .
C122 C123 1.393(5) .
C122 C125 1.494(6) .
C123 H123 0.9500 .
C126 C127 1.401(5) .
C126 C131 1.401(5) .
C127 C128 1.391(5) .
C127 H127 0.9500 .
C128 C129 1.391(5) .
C128 C133 1.481(6) .
C129 C130 1.379(6) .
C129 H129 0.9500 .
C130 C131 1.398(5) .
C130 C132 1.499(6) .
C131 H131 0.9500 .
C134 C135 1.395(5) .
C134 C139 1.405(5) .
C135 C136 1.391(5) .
C135 H135 0.9500 .
C136 C137 1.401(6) .
C136 C140 1.484(6) .
C137 C138 1.374(6) .
C137 H137 0.9500 .
C138 C139 1.390(5) .
C138 C141 1.510(6) .
C139 H139 0.9500 .
B2 C150 1.638(7) .
B2 C158 1.640(6) .
B2 C142 1.644(6) .
B2 C166 1.645(6) .
C142 C147 1.391(6) .
C142 C143 1.393(6) .
C143 C144 1.393(7) .
C143 H143 0.9500 .
C144 C145 1.380(7) .
C144 C148 1.486(8) .
C145 C146 1.393(7) .
C145 H145 0.9500 .
C146 C147 1.385(6) .
C146 C149 1.486(8) .
C147 H147 0.9500 .
C150 C155 1.387(6) .
C150 C151 1.399(7) .
C151 C152 1.385(7) .
C151 H151 0.9500 .
C152 C153 1.394(9) .
C152 C156 1.483(10) .
C153 C154 1.368(8) .
C153 H153 0.9500 .
C154 C155 1.393(7) .
C154 C157 1.492(9) .
C155 H155 0.9500 .
C158 C159 1.404(6) .
C158 C163 1.412(6) .
C159 C160 1.396(6) .
C159 H159 0.9500 .
C160 C161 1.384(6) .
C160 C164 1.480(6) .
C161 C162 1.390(7) .
C161 H161 0.9500 .
C162 C163 1.390(6) .
C162 C165 1.489(7) .
C163 H163 0.9500 .
C166 C171 1.401(6) .
C166 C167 1.406(6) .
C167 C168 1.387(6) .
C167 H167 0.9500 .
C168 C169 1.387(6) .
C168 C172 1.494(7) .
C169 C170 1.386(7) .
C169 H169 0.9500 .
C170 C171 1.390(6) .
C170 C173 1.490(6) .
C171 H171 0.9500 .
C200 Cl1 1.711(10) .
C200 Cl2 1.741(11) .
C200 Cl2A 1.83(3) .
C200 H20C 0.9900 .
C200 H20D 0.9900 .
C300 Cl4 1.760(10) .
C300 Cl3 1.770(9) .
C300 H30C 0.9900 .
C300 H30D 0.9900 .
C400 Cl6 1.731(9) .
C400 Cl5 1.731(9) .
C400 H40C 0.9900 .
C400 H40D 0.9900 .
C401 C402 1.3900 .
C401 C406 1.3900 .
C401 C407 1.456(17) .
C402 C403 1.3900 .
C402 H402 0.9500 .
C403 C404 1.3900 .
C403 H403 0.9500 .
C404 C405 1.3900 .
C404 H404 0.9500 .
C405 C406 1.3900 .
C405 H405 0.9500 .
C406 H406 0.9500 .
C407 H40E 0.9800 .
C407 H40F 0.9800 .
C407 H40G 0.9800 .
C501 C502 1.3900 .
C501 C506 1.3900 .
C501 C507 1.506(15) .
C502 C503 1.3900 .
C502 H502 0.9500 .
C503 C504 1.3900 .
C503 H503 0.9500 .
C504 C505 1.3900 .
C504 H504 0.9500 .
C505 C506 1.3900 .
C505 H505 0.9500 .
C506 H506 0.9500 .
C507 H50C 0.9800 .
C507 H50D 0.9800 .
C507 H50E 0.9800 .
C500 Cl8 1.762(10) .
C500 Cl7 1.798(10) .
C500 H50F 0.9900 .
C500 H50G 0.9900 .
C600 Cl9 1.731(10) 2_556
C600 Cl9 1.731(10) .
C600 H60C 0.9900 .
C600 H60D 0.9900 .
C700 Cl10 1.67(4) 5_566
C700 Cl10 1.763(10) .
C700 H70C 0.9900 .
C700 H70D 0.9900 .
Cl10 C700 1.67(4) 5_566
C800 Cl11 1.893(17) .
C800 Cl12 1.899(19) .
C800 H80C 0.9900 .
C800 H80D 0.9900 .
Cl11 Cl12 1.14(3) 2_556
Cl12 C800 0.93(4) 2_556
Cl12 Cl11 1.14(3) 2_556
