#------------------------------------------------------------------------------
#$Date: 2016-03-21 11:03:27 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178678 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/89/4078972.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_4078972
loop_
_publ_author_name
'Pawley, Rebekah J.'
'Huertos, Miguel A.'
'Lloyd-Jones, Guy C.'
'Weller, Andrew S.'
'Willis, Michael C.'
_publ_section_title
;
 Intermolecular Alkyne Hydroacylation. Mechanistic Insight from the
 Isolation of the Vinyl Intermediate That Precedes Reductive Elimination
;
_journal_issue                   15
_journal_name_full               Organometallics
_journal_page_first              5650
_journal_paper_doi               10.1021/om300647n
_journal_volume                  31
_journal_year                    2012
_chemical_formula_moiety         'C54 H40 F6 O2 P2 Rh S, B12 H12, 2(C H2 Cl2)'
_chemical_formula_sum            'C56 H56 B12 Cl4 F6 O2 P2 Rh S'
_chemical_formula_weight         1343.44
_chemical_melting_point          ?
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                104.2065(7)
_cell_angle_beta                 113.9716(6)
_cell_angle_gamma                105.7943(7)
_cell_formula_units_Z            2
_cell_length_a                   14.31300(20)
_cell_length_b                   15.74190(20)
_cell_length_c                   16.96970(29)
_cell_measurement_reflns_used    12642
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      5.097
_cell_volume                     3073.92(9)
_computing_cell_refinement       'Denzo/Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction        'Denzo/Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'ORTEP3 (Farrugia, 1997)'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device       '95mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       CCD
_diffrn_radiation_monochromator  'horizonally mounted graphite crystal'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0300
_diffrn_reflns_av_sigmaI/netI    0.0506
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            23797
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         27.53
_diffrn_reflns_theta_min         5.10
_exptl_absorpt_coefficient_mu    0.598
_exptl_absorpt_correction_T_max  1.0
_exptl_absorpt_correction_T_min  0.94
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Denzo/Scalepack (Otwinowski & Minor 1997)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.451
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1362
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.775
_refine_diff_density_min         -0.814
_refine_diff_density_rms         0.077
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     851
_refine_ls_number_reflns         14009
_refine_ls_number_restraints     292
_refine_ls_restrained_S_all      1.088
_refine_ls_R_factor_all          0.0610
_refine_ls_R_factor_gt           0.0446
_refine_ls_shift/su_max          0.026
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0523P)²+3.4499P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1066
_refine_ls_wR_factor_ref         0.1163
_reflns_number_gt                11362
_reflns_number_total             14009
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om300647n_si_004.cif
_cod_data_source_block           7
_cod_depositor_comments
;
The following automatic conversions were performed:

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

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

The following automatic conversions were performed:

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

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        3073.922(87)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4078972
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 0.00834(3) 0.30446(3) 0.74426(3) 0.01930(13) Uani 1 1 d . . .
S1 S -0.10129(10) 0.19588(9) 0.78795(9) 0.0230(3) Uani 1 1 d . . .
P01 P 0.19767(10) 0.36708(9) 0.86324(9) 0.0203(3) Uani 1 1 d . . .
P2 P 0.00722(10) 0.18011(9) 0.64043(9) 0.0205(3) Uani 1 1 d . . .
O1 O -0.0307(3) 0.4091(2) 0.8158(2) 0.0250(7) Uani 1 1 d . . .
O2 O 0.1181(3) 0.1526(2) 0.8146(2) 0.0237(7) Uani 1 1 d . . .
C1 C -0.1170(4) 0.3594(3) 0.7295(4) 0.0228(10) Uani 1 1 d . . .
C2 C -0.0955(4) 0.3615(3) 0.6541(4) 0.0226(10) Uani 1 1 d . . .
C3 C 0.0237(4) 0.4105(4) 0.6879(4) 0.0242(10) Uani 1 1 d . . .
H3A H 0.0622 0.4786 0.7339 0.029 Uiso 1 1 calc R . .
H3B H 0.0463 0.3997 0.6397 0.029 Uiso 1 1 calc R . .
C4 C -0.0458(5) 0.2546(4) 0.9136(4) 0.0315(12) Uani 1 1 d . . .
H4A H 0.0241 0.2485 0.9484 0.047 Uiso 1 1 calc R . .
H4B H -0.1012 0.2240 0.9295 0.047 Uiso 1 1 calc R . .
H4C H -0.0305 0.3231 0.9309 0.047 Uiso 1 1 calc R . .
C10 C -0.2248(4) 0.2963(4) 0.7184(3) 0.0242(10) Uani 1 1 d . . .
C11 C -0.3212(4) 0.3136(4) 0.6853(4) 0.0291(11) Uani 1 1 d . . .
H11 H -0.3209 0.3664 0.6675 0.035 Uiso 1 1 calc R . .
C12 C -0.4181(5) 0.2529(4) 0.6784(4) 0.0347(13) Uani 1 1 d . . .
H12 H -0.4840 0.2645 0.6561 0.042 Uiso 1 1 calc R . .
C13 C -0.4187(5) 0.1761(4) 0.7040(4) 0.0363(13) Uani 1 1 d . . .
H13 H -0.4854 0.1348 0.6984 0.044 Uiso 1 1 calc R . .
C14 C -0.3228(4) 0.1584(4) 0.7378(4) 0.0306(12) Uani 1 1 d . . .
H14 H -0.3235 0.1056 0.7556 0.037 Uiso 1 1 calc R . .
C15 C -0.2258(4) 0.2192(4) 0.7452(3) 0.0248(10) Uani 1 1 d . . .
C20 C -0.1809(4) 0.3204(4) 0.5522(4) 0.0235(10) Uani 1 1 d . . .
C21 C -0.1594(4) 0.3681(4) 0.4979(4) 0.0276(11) Uani 1 1 d . . .
H21 H -0.0910 0.4239 0.5266 0.033 Uiso 1 1 calc R . .
C22 C -0.2369(4) 0.3349(4) 0.4023(4) 0.0303(12) Uani 1 1 d D A .
C23 C -0.3367(5) 0.2532(4) 0.3577(4) 0.0312(12) Uani 1 1 d . . .
H23 H -0.3884 0.2298 0.2921 0.037 Uiso 1 1 calc R . .
C24 C -0.3590(4) 0.2063(4) 0.4118(4) 0.0282(11) Uani 1 1 d D B .
C25 C -0.2840(4) 0.2394(4) 0.5071(4) 0.0252(11) Uani 1 1 d . . .
H25 H -0.3025 0.2068 0.5426 0.030 Uiso 1 1 calc R . .
C26 C -0.2094(5) 0.3927(4) 0.3504(4) 0.0425(15) Uani 1 1 d D . .
C27 C -0.4650(5) 0.1173(4) 0.3664(4) 0.0419(15) Uani 1 1 d D . .
F1 F -0.1299(18) 0.3833(17) 0.3328(18) 0.060(4) Uani 0.58(6) 1 d PDU A 1
F2 F -0.1754(19) 0.4875(5) 0.3979(10) 0.042(3) Uani 0.58(6) 1 d PDU A 1
F3 F -0.3009(11) 0.3682(11) 0.2667(8) 0.056(4) Uani 0.58(6) 1 d PDU A 1
F101 F -0.278(2) 0.3514(17) 0.2582(7) 0.081(7) Uani 0.42(6) 1 d PDU A 2
F102 F -0.1040(15) 0.4092(19) 0.365(2) 0.048(5) Uani 0.42(6) 1 d PDU A 2
F103 F -0.206(3) 0.4808(11) 0.382(2) 0.050(5) Uani 0.42(6) 1 d PDU A 2
F4 F -0.4801(12) 0.0486(6) 0.2952(9) 0.071(4) Uani 0.61(3) 1 d PDU B 1
F5 F -0.5568(6) 0.1361(8) 0.3331(14) 0.084(4) Uani 0.61(3) 1 d PDU B 1
F6 F -0.4740(10) 0.0780(9) 0.4255(6) 0.057(3) Uani 0.61(3) 1 d PDU B 1
F104 F -0.5021(15) 0.1047(15) 0.4230(10) 0.065(5) Uani 0.39(3) 1 d PDU B 2
F105 F -0.4437(16) 0.0397(7) 0.339(2) 0.079(6) Uani 0.39(3) 1 d PDU B 2
F106 F -0.5457(12) 0.1113(15) 0.2899(13) 0.081(7) Uani 0.39(3) 1 d PDU B 2
C61 C 0.0610(5) 0.2656(4) 0.5296(4) 0.0291(11) Uani 1 1 d . . .
H61 H 0.1278 0.3099 0.5875 0.035 Uiso 1 1 calc R . .
C37 C 0.2984(4) 0.4188(4) 0.7620(4) 0.0262(11) Uani 1 1 d . . .
H37 H 0.2349 0.4313 0.7310 0.031 Uiso 1 1 calc R . .
C53 C 0.1336(4) 0.1582(3) 0.6811(3) 0.0221(10) Uani 1 1 d . . .
C65 C -0.1161(5) 0.1252(4) 0.4431(4) 0.0293(11) Uani 1 1 d . . .
H65 H -0.1707 0.0733 0.4414 0.035 Uiso 1 1 calc R . .
C54 C -0.1034(4) 0.0639(4) 0.6072(3) 0.0232(10) Uani 1 1 d . . .
C30 C 0.2288(4) 0.4892(4) 0.9361(3) 0.0234(10) Uani 1 1 d . . .
C60 C -0.0187(4) 0.1900(4) 0.5287(3) 0.0234(10) Uani 1 1 d . . .
C48 C 0.1769(4) 0.1474(3) 0.7661(4) 0.0229(10) Uani 1 1 d . . .
C36 C 0.3080(4) 0.3847(3) 0.8323(3) 0.0231(10) Uani 1 1 d . . .
C49 C 0.2715(4) 0.1293(4) 0.8003(4) 0.0268(11) Uani 1 1 d . . .
H49 H 0.2977 0.1198 0.8572 0.032 Uiso 1 1 calc R . .
C55 C -0.0817(5) -0.0148(4) 0.6170(4) 0.0284(11) Uani 1 1 d . . .
H55 H -0.0075 -0.0109 0.6388 0.034 Uiso 1 1 calc R . .
C51 C 0.2873(4) 0.1364(4) 0.6661(4) 0.0285(11) Uani 1 1 d . . .
H51 H 0.3263 0.1339 0.6324 0.034 Uiso 1 1 calc R . .
C47 C 0.1868(4) 0.2083(4) 0.9117(3) 0.0239(10) Uani 1 1 d . . .
C42 C 0.2324(4) 0.3085(4) 0.9450(4) 0.0241(10) Uani 1 1 d . . .
C38 C 0.3802(5) 0.4344(4) 0.7370(4) 0.0315(12) Uani 1 1 d . . .
H38 H 0.3738 0.4589 0.6900 0.038 Uiso 1 1 calc R . .
C52 C 0.1901(4) 0.1511(4) 0.6310(4) 0.0261(11) Uani 1 1 d . . .
H52 H 0.1614 0.1565 0.5720 0.031 Uiso 1 1 calc R . .
C50 C 0.3278(4) 0.1251(4) 0.7504(4) 0.0295(11) Uani 1 1 d . . .
H50 H 0.3943 0.1145 0.7741 0.035 Uiso 1 1 calc R . .
C31 C 0.1878(4) 0.5031(4) 0.9980(4) 0.0287(11) Uani 1 1 d . . .
H31 H 0.1495 0.4494 1.0063 0.034 Uiso 1 1 calc R . .
C35 C 0.2829(5) 0.5695(4) 0.9240(4) 0.0292(11) Uani 1 1 d . . .
H35 H 0.3117 0.5616 0.8824 0.035 Uiso 1 1 calc R . .
C41 C 0.4016(4) 0.3668(4) 0.8775(4) 0.0278(11) Uani 1 1 d . . .
H41 H 0.4103 0.3452 0.9266 0.033 Uiso 1 1 calc R . .
C39 C 0.4719(5) 0.4142(4) 0.7810(4) 0.0339(12) Uani 1 1 d . . .
H39 H 0.5276 0.4234 0.7631 0.041 Uiso 1 1 calc R . .
C56 C -0.1685(5) -0.0996(4) 0.5949(4) 0.0350(13) Uani 1 1 d . . .
H56 H -0.1528 -0.1527 0.6031 0.042 Uiso 1 1 calc R . .
C43 C 0.3033(5) 0.3619(4) 1.0428(4) 0.0316(12) Uani 1 1 d . . .
H43 H 0.3374 0.4304 1.0675 0.038 Uiso 1 1 calc R . .
C59 C -0.2139(4) 0.0550(4) 0.5733(4) 0.0292(11) Uani 1 1 d . . .
H59 H -0.2299 0.1083 0.5661 0.035 Uiso 1 1 calc R . .
C40 C 0.4821(4) 0.3807(4) 0.8504(4) 0.0334(12) Uani 1 1 d . . .
H40 H 0.5450 0.3669 0.8802 0.040 Uiso 1 1 calc R . .
C62 C 0.0433(5) 0.2763(4) 0.4466(4) 0.0348(13) Uani 1 1 d . . .
H62 H 0.0981 0.3278 0.4478 0.042 Uiso 1 1 calc R . .
C46 C 0.2055(5) 0.1614(4) 0.9722(4) 0.0328(12) Uani 1 1 d . . .
H46 H 0.1715 0.0929 0.9479 0.039 Uiso 1 1 calc R . .
C63 C -0.0537(6) 0.2122(4) 0.3620(4) 0.0388(14) Uani 1 1 d . . .
H63 H -0.0658 0.2198 0.3053 0.047 Uiso 1 1 calc R . .
C34 C 0.2948(5) 0.6606(4) 0.9724(4) 0.0364(13) Uani 1 1 d . . .
H34 H 0.3301 0.7144 0.9626 0.044 Uiso 1 1 calc R . .
C33 C 0.2557(5) 0.6730(4) 1.0343(4) 0.0368(13) Uani 1 1 d . . .
H33 H 0.2651 0.7355 1.0681 0.044 Uiso 1 1 calc R . .
C64 C -0.1336(5) 0.1366(4) 0.3602(4) 0.0363(13) Uani 1 1 d . . .
H64 H -0.2003 0.0926 0.3021 0.044 Uiso 1 1 calc R . .
C57 C -0.2772(5) -0.1072(4) 0.5614(4) 0.0367(13) Uani 1 1 d . . .
H57 H -0.3362 -0.1654 0.5460 0.044 Uiso 1 1 calc R . .
C32 C 0.2025(5) 0.5943(4) 1.0473(4) 0.0349(13) Uani 1 1 d . . .
H32 H 0.1759 0.6031 1.0903 0.042 Uiso 1 1 calc R . .
C45 C 0.2746(5) 0.2160(5) 1.0686(4) 0.0387(14) Uani 1 1 d . . .
H45 H 0.2878 0.1847 1.1107 0.046 Uiso 1 1 calc R . .
C44 C 0.3242(5) 0.3154(5) 1.1038(4) 0.0394(14) Uani 1 1 d . . .
H44 H 0.3728 0.3522 1.1698 0.047 Uiso 1 1 calc R . .
C58 C -0.2998(5) -0.0291(4) 0.5502(4) 0.0353(13) Uani 1 1 d . . .
H58 H -0.3745 -0.0339 0.5267 0.042 Uiso 1 1 calc R . .
B1 B 0.5329(9) 0.4496(8) 0.4206(7) 0.061(3) Uani 0.50 1 d P C 1
H1 H 0.5541 0.4158 0.3677 0.073 Uiso 0.50 1 calc PR C 1
C101 B 0.5329(9) 0.4496(8) 0.4206(7) 0.061(3) Uani 0.50 1 d PD C 2
H101 H 0.5509(11) 0.4209(8) 0.3757(6) 0.073 Uiso 0.50 1 calc PRD C 2
B2 B 0.4008(10) 0.4036(9) 0.4093(8) 0.066(3) Uani 1 1 d . . .
H2 H 0.3315 0.3368 0.3460 0.080 Uiso 1 1 calc R C 1
B3 B 0.5115(9) 0.3953(8) 0.4961(7) 0.063(3) Uani 1 1 d . . .
H3 H 0.5184 0.3255 0.4931 0.076 Uiso 1 1 calc R D 1
B4 B 0.6297(9) 0.5037(8) 0.5419(7) 0.066(3) Uani 1 1 d . . .
H4 H 0.7169 0.5070 0.5705 0.080 Uiso 1 1 calc R C 1
B5 B 0.5886(9) 0.5758(8) 0.4806(7) 0.066(3) Uani 1 1 d . . .
H5 H 0.6479 0.6266 0.4685 0.079 Uiso 1 1 calc R E 1
B6 B 0.4453(9) 0.5116(8) 0.3973(7) 0.061(2) Uani 1 1 d . . .
H6 H 0.4077 0.5184 0.3283 0.073 Uiso 1 1 calc R F 1
B7 B 0.3681(6) -0.0062(5) -0.0467(5) 0.0389(16) Uani 1 1 d . . .
H7 H 0.2805 -0.0105 -0.0780 0.047 Uiso 1 1 calc R G 1
B9 B 0.5617(6) 0.0119(5) 0.1114(5) 0.0392(16) Uani 1 1 d . . .
H9 H 0.6034 0.0199 0.1863 0.047 Uiso 1 1 calc R H 1
B8 B 0.4156(6) -0.0593(5) 0.0333(5) 0.0419(16) Uani 1 1 d . . .
H8 H 0.3596 -0.0992 0.0551 0.050 Uiso 1 1 calc R I 1
B10 B 0.6034(6) 0.1066(5) 0.0797(5) 0.0385(16) Uani 1 1 d . . .
H10 H 0.6735 0.1786 0.1337 0.046 Uiso 1 1 calc R J 1
B11 B 0.4849(6) 0.0973(5) -0.0175(5) 0.0389(16) Uani 1 1 d . . .
H11B H 0.4748 0.1620 -0.0294 0.047 Uiso 1 1 calc R K 1
B12 B 0.4718(6) 0.0695(5) 0.0744(5) 0.0403(16) Uani 0.50 1 d P L 1
H22 H 0.4538 0.1152 0.1234 0.048 Uiso 0.50 1 calc PR L 1
C102 B 0.4718(6) 0.0695(5) 0.0744(5) 0.0403(16) Uani 0.50 1 d PD L 2
H102 H 0.454(9) 0.1152(7) 0.1234(5) 0.048 Uiso 0.50 1 calc PRD L 2
C200 C 0.9852(7) 0.6233(6) 0.8244(8) 0.125(5) Uani 0.796(7) 1 d PD M 1
H20A H 0.9634 0.5911 0.7577 0.150 Uiso 0.796(7) 1 calc PR M 1
H20B H 1.0284 0.5932 0.8607 0.150 Uiso 0.796(7) 1 calc PR M 1
Cl1 Cl 0.8665(4) 0.6028(5) 0.8310(4) 0.0944(17) Uani 0.796(7) 1 d PDU M 1
Cl2 Cl 1.0754(3) 0.7489(2) 0.8681(2) 0.0714(10) Uani 0.796(7) 1 d PDU M 1
C002 C 0.9852(7) 0.6233(6) 0.8244(8) 0.125(5) Uani 0.204(7) 1 d P M 2
H02A H 1.0288 0.6928 0.8666 0.150 Uiso 0.204(7) 1 calc PR M 2
H02B H 1.0365 0.5914 0.8428 0.150 Uiso 0.204(7) 1 calc PR M 2
Cl11 Cl 0.8805(19) 0.5783(17) 0.8459(17) 0.105(7) Uani 0.204(7) 1 d PDU M 2
Cl12 Cl 0.9492(19) 0.6125(15) 0.7143(12) 0.143(8) Uani 0.204(7) 1 d PDU M 2
C300 C 0.1426(16) 0.0356(12) 0.1759(13) 0.168(8) Uani 0.813(9) 1 d PD N 1
H30A H 0.0960 -0.0205 0.1802 0.202 Uiso 0.813(9) 1 calc PR N 1
H30B H 0.2085 0.0757 0.2402 0.202 Uiso 0.813(9) 1 calc PR N 1
Cl3 Cl 0.1935(3) -0.0090(2) 0.1096(3) 0.0752(12) Uani 0.813(9) 1 d PDU N 1
Cl4 Cl 0.0684(5) 0.0993(4) 0.1539(4) 0.1197(18) Uani 0.813(9) 1 d PDU N 1
C003 C 0.1426(16) 0.0356(12) 0.1759(13) 0.168(8) Uani 0.187(9) 1 d P N 2
H00A H 0.2169 0.0409 0.2208 0.202 Uiso 0.187(9) 1 calc PR N 2
H00B H 0.0870 -0.0015 0.1892 0.202 Uiso 0.187(9) 1 calc PR N 2
Cl13 Cl 0.111(3) -0.0312(14) 0.0693(14) 0.152(9) Uani 0.187(9) 1 d PDU N 2
Cl14 Cl 0.149(2) 0.1479(12) 0.2035(16) 0.116(7) Uani 0.187(9) 1 d PDU N 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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'
Cl Cl 0.1484 0.1585 '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'
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
C3 Rh1 O1 74.87(17) . .
C3 Rh1 C1 68.31(19) . .
O1 Rh1 C1 35.69(16) . .
C3 Rh1 C2 39.02(18) . .
O1 Rh1 C2 65.14(16) . .
C1 Rh1 C2 38.41(18) . .
C3 Rh1 P2 102.52(15) . .
O1 Rh1 P2 166.49(10) . .
C1 Rh1 P2 130.87(14) . .
C2 Rh1 P2 104.29(14) . .
C3 Rh1 P01 98.11(14) . .
O1 Rh1 P01 95.63(10) . .
C1 Rh1 P01 130.73(14) . .
C2 Rh1 P01 134.80(13) . .
P2 Rh1 P01 97.87(5) . .
C3 Rh1 S1 149.03(14) . .
O1 Rh1 S1 83.89(10) . .
C1 Rh1 S1 81.25(14) . .
C2 Rh1 S1 111.28(13) . .
P2 Rh1 S1 92.87(4) . .
P01 Rh1 S1 106.30(4) . .
C15 S1 C4 98.8(2) . .
C15 S1 Rh1 98.57(17) . .
C4 S1 Rh1 107.84(19) . .
C30 P01 C42 104.9(2) . .
C30 P01 C36 103.9(2) . .
C42 P01 C36 104.5(2) . .
C30 P01 Rh1 104.63(16) . .
C42 P01 Rh1 117.36(17) . .
C36 P01 Rh1 119.80(17) . .
C53 P2 C60 104.5(2) . .
C53 P2 C54 103.0(2) . .
C60 P2 C54 105.1(2) . .
C53 P2 Rh1 116.83(17) . .
C60 P2 Rh1 114.35(16) . .
C54 P2 Rh1 111.75(16) . .
C1 O1 Rh1 72.6(3) . .
C47 O2 C48 114.3(4) . .
O1 C1 C2 116.9(4) . .
O1 C1 C10 116.8(4) . .
C2 C1 C10 125.8(4) . .
O1 C1 Rh1 71.8(2) . .
C2 C1 Rh1 73.3(3) . .
C10 C1 Rh1 118.2(3) . .
C1 C2 C3 112.2(4) . .
C1 C2 C20 126.6(4) . .
C3 C2 C20 121.2(4) . .
C1 C2 Rh1 68.2(3) . .
C3 C2 Rh1 67.0(3) . .
C20 C2 Rh1 133.2(3) . .
C2 C3 Rh1 74.0(3) . .
C2 C3 H3A 116.1 . .
Rh1 C3 H3A 116.1 . .
C2 C3 H3B 116.1 . .
Rh1 C3 H3B 116.1 . .
H3A C3 H3B 113.1 . .
S1 C4 H4A 109.5 . .
S1 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
S1 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
C11 C10 C15 119.9(5) . .
C11 C10 C1 122.5(5) . .
C15 C10 C1 117.6(4) . .
C12 C11 C10 119.4(5) . .
C12 C11 H11 120.3 . .
C10 C11 H11 120.3 . .
C13 C12 C11 120.3(5) . .
C13 C12 H12 119.9 . .
C11 C12 H12 119.9 . .
C12 C13 C14 120.9(5) . .
C12 C13 H13 119.6 . .
C14 C13 H13 119.6 . .
C15 C14 C13 119.0(5) . .
C15 C14 H14 120.5 . .
C13 C14 H14 120.5 . .
C14 C15 C10 120.6(5) . .
C14 C15 S1 119.2(4) . .
C10 C15 S1 120.2(4) . .
C21 C20 C25 117.4(5) . .
C21 C20 C2 117.8(4) . .
C25 C20 C2 124.7(4) . .
C22 C21 C20 121.0(5) . .
C22 C21 H21 119.5 . .
C20 C21 H21 119.5 . .
C23 C22 C21 121.2(5) . .
C23 C22 C26 121.3(5) . .
C21 C22 C26 117.5(5) . .
C22 C23 C24 117.9(5) . .
C22 C23 H23 121.0 . .
C24 C23 H23 121.0 . .
C25 C24 C23 121.5(5) . .
C25 C24 C27 118.8(5) . .
C23 C24 C27 119.7(5) . .
C24 C25 C20 120.9(5) . .
C24 C25 H25 119.6 . .
C20 C25 H25 119.5 . .
F101 C26 F1 86.8(12) . .
F101 C26 F103 107.8(9) . .
F1 C26 F103 118.9(12) . .
F101 C26 F2 120.2(13) . .
F1 C26 F2 107.2(8) . .
F103 C26 F2 16.1(13) . .
F101 C26 F3 22.0(15) . .
F1 C26 F3 107.1(8) . .
F103 C26 F3 90.3(13) . .
F2 C26 F3 105.0(7) . .
F101 C26 F102 106.4(9) . .
F1 C26 F102 21.1(10) . .
F103 C26 F102 104.5(8) . .
F2 C26 F102 90.4(12) . .
F3 C26 F102 125.0(11) . .
F101 C26 C22 114.4(8) . .
F1 C26 C22 113.8(7) . .
F103 C26 C22 112.5(9) . .
F2 C26 C22 111.7(7) . .
F3 C26 C22 111.5(7) . .
F102 C26 C22 110.6(8) . .
F106 C27 F4 72.1(9) . .
F106 C27 F104 109.3(8) . .
F4 C27 F104 125.3(10) . .
F106 C27 F6 127.9(9) . .
F4 C27 F6 106.2(7) . .
F104 C27 F6 28.7(9) . .
F106 C27 F5 36.8(8) . .
F4 C27 F5 105.8(7) . .
F104 C27 F5 78.1(9) . .
F6 C27 F5 104.3(7) . .
F106 C27 F105 105.2(8) . .
F4 C27 F105 34.3(8) . .
F104 C27 F105 105.9(8) . .
F6 C27 F105 79.3(9) . .
F5 C27 F105 134.0(9) . .
F106 C27 C24 113.7(7) . .
F4 C27 C24 114.8(6) . .
F104 C27 C24 113.6(8) . .
F6 C27 C24 113.5(6) . .
F5 C27 C24 111.5(6) . .
F105 C27 C24 108.4(7) . .
C62 C61 C60 120.5(5) . .
C62 C61 H61 119.8 . .
C60 C61 H61 119.8 . .
C38 C37 C36 120.8(5) . .
C38 C37 H37 119.6 . .
C36 C37 H37 119.6 . .
C48 C53 C52 117.7(4) . .
C48 C53 P2 119.1(4) . .
C52 C53 P2 123.1(4) . .
C64 C65 C60 120.2(5) . .
C64 C65 H65 119.9 . .
C60 C65 H65 119.9 . .
C55 C54 C59 118.5(5) . .
C55 C54 P2 122.9(4) . .
C59 C54 P2 118.6(4) . .
C31 C30 C35 118.4(5) . .
C31 C30 P01 120.1(4) . .
C35 C30 P01 121.1(4) . .
C65 C60 C61 119.1(5) . .
C65 C60 P2 122.1(4) . .
C61 C60 P2 118.9(4) . .
C49 C48 C53 122.1(5) . .
C49 C48 O2 120.7(4) . .
C53 C48 O2 117.2(4) . .
C41 C36 C37 119.1(5) . .
C41 C36 P01 122.3(4) . .
C37 C36 P01 118.6(4) . .
C48 C49 C50 119.1(5) . .
C48 C49 H49 120.5 . .
C50 C49 H49 120.5 . .
C54 C55 C56 120.2(5) . .
C54 C55 H55 119.9 . .
C56 C55 H55 119.9 . .
C52 C51 C50 120.2(5) . .
C52 C51 H51 119.9 . .
C50 C51 H51 119.9 . .
C46 C47 C42 121.9(5) . .
C46 C47 O2 118.6(5) . .
C42 C47 O2 119.5(4) . .
C47 C42 C43 117.7(5) . .
C47 C42 P01 120.4(4) . .
C43 C42 P01 121.8(4) . .
C37 C38 C39 119.6(5) . .
C37 C38 H38 120.2 . .
C39 C38 H38 120.2 . .
C51 C52 C53 120.8(5) . .
C51 C52 H52 119.6 . .
C53 C52 H52 119.6 . .
C51 C50 C49 120.1(5) . .
C51 C50 H50 119.9 . .
C49 C50 H50 119.9 . .
C32 C31 C30 120.5(5) . .
C32 C31 H31 119.7 . .
C30 C31 H31 119.7 . .
C34 C35 C30 120.5(5) . .
C34 C35 H35 119.8 . .
C30 C35 H35 119.8 . .
C40 C41 C36 119.7(5) . .
C40 C41 H41 120.2 . .
C36 C41 H41 120.2 . .
C40 C39 C38 120.0(5) . .
C40 C39 H39 120.0 . .
C38 C39 H39 120.0 . .
C57 C56 C55 120.6(5) . .
C57 C56 H56 119.7 . .
C55 C56 H56 119.7 . .
C44 C43 C42 120.7(5) . .
C44 C43 H43 119.7 . .
C42 C43 H43 119.7 . .
C58 C59 C54 121.4(5) . .
C58 C59 H59 119.3 . .
C54 C59 H59 119.3 . .
C39 C40 C41 120.8(5) . .
C39 C40 H40 119.6 . .
C41 C40 H40 119.6 . .
C63 C62 C61 120.2(5) . .
C63 C62 H62 119.9 . .
C61 C62 H62 119.9 . .
C47 C46 C45 119.1(5) . .
C47 C46 H46 120.4 . .
C45 C46 H46 120.5 . .
C62 C63 C64 119.8(5) . .
C62 C63 H63 120.1 . .
C64 C63 H63 120.1 . .
C33 C34 C35 120.2(5) . .
C33 C34 H34 119.9 . .
C35 C34 H34 119.9 . .
C34 C33 C32 119.9(5) . .
C34 C33 H33 120.0 . .
C32 C33 H33 120.0 . .
C65 C64 C63 120.2(5) . .
C65 C64 H64 119.9 . .
C63 C64 H64 119.9 . .
C56 C57 C58 119.6(5) . .
C56 C57 H57 120.2 . .
C58 C57 H57 120.2 . .
C31 C32 C33 120.5(5) . .
C31 C32 H32 119.8 . .
C33 C32 H32 119.8 . .
C44 C45 C46 120.4(5) . .
C44 C45 H45 119.8 . .
C46 C45 H45 119.8 . .
C45 C44 C43 120.1(5) . .
C45 C44 H44 120.0 . .
C43 C44 H44 120.0 . .
C59 C58 C57 119.9(5) . .
C59 C58 H58 120.1 . .
C57 C58 H58 120.1 . .
B2 B1 B4 105.7(6) . .
B2 B1 B5 105.9(7) . .
B4 B1 B5 60.8(6) . .
B2 B1 B6 59.3(5) . .
B4 B1 B6 107.6(7) . .
B5 B1 B6 59.2(6) . .
B2 B1 B3 59.0(5) . .
B4 B1 B3 59.6(6) . .
B5 B1 B3 108.3(7) . .
B6 B1 B3 107.6(6) . .
B2 B1 H1 123.7 . .
B4 B1 H1 122.1 . .
B5 B1 H1 121.9 . .
B6 B1 H1 122.1 . .
B3 B1 H1 121.8 . .
B3 B2 B6 111.3(8) . .
B3 B2 B1 61.8(5) . .
B6 B2 B1 61.2(6) . .
B3 B2 B4 110.8(8) . 2_666
B6 B2 B4 61.3(6) . 2_666
B1 B2 B4 111.1(8) . 2_666
B3 B2 B5 61.1(5) . 2_666
B6 B2 B5 111.0(8) . 2_666
B1 B2 B5 111.4(8) . 2_666
B4 B2 B5 61.1(5) 2_666 2_666
B3 B2 H2 119.8 . .
B6 B2 H2 119.9 . .
B1 B2 H2 119.6 . .
B4 B2 H2 120.1 2_666 .
B5 B2 H2 120.0 2_666 .
B2 B3 B4 105.6(7) . .
B2 B3 B6 105.9(7) . 2_666
B4 B3 B6 60.7(6) . 2_666
B2 B3 B5 59.9(5) . 2_666
B4 B3 B5 107.9(7) . 2_666
B6 B3 B5 59.2(6) 2_666 2_666
B2 B3 B1 59.3(5) . .
B4 B3 B1 59.2(6) . .
B6 B3 B1 107.8(7) 2_666 .
B5 B3 B1 108.3(6) 2_666 .
B2 B3 H3 123.5 . .
B4 B3 H3 122.3 . .
B6 B3 H3 122.2 2_666 .
B5 B3 H3 121.5 2_666 .
B1 B3 H3 121.7 . .
B2 B4 B1 106.8(6) 2_666 .
B2 B4 B3 106.4(7) 2_666 .
B1 B4 B3 61.2(6) . .
B2 B4 B5 59.6(5) 2_666 .
B1 B4 B5 59.9(6) . .
B3 B4 B5 108.8(7) . .
B2 B4 B6 59.1(5) 2_666 2_666
B1 B4 B6 108.7(7) . 2_666
B3 B4 B6 59.7(6) . 2_666
B5 B4 B6 108.0(6) . 2_666
B2 B4 H4 123.3 2_666 .
B1 B4 H4 121.4 . .
B3 B4 H4 121.6 . .
B5 B4 H4 121.4 . .
B6 B4 H4 121.7 2_666 .
B6 B5 B2 105.9(7) . 2_666
B6 B5 B1 60.7(6) . .
B2 B5 B1 106.1(7) 2_666 .
B6 B5 B3 60.1(6) . 2_666
B2 B5 B3 59.0(5) 2_666 2_666
B1 B5 B3 108.7(8) . 2_666
B6 B5 B4 107.6(8) . .
B2 B5 B4 59.3(5) 2_666 .
B1 B5 B4 59.3(6) . .
B3 B5 B4 107.8(6) 2_666 .
B6 B5 H5 122.0 . .
B2 B5 H5 123.6 2_666 .
B1 B5 H5 121.8 . .
B3 B5 H5 121.4 2_666 .
B4 B5 H5 122.1 . .
B2 B6 B5 106.8(7) . .
B2 B6 B3 106.7(6) . 2_666
B5 B6 B3 60.8(6) . 2_666
B2 B6 B1 59.5(5) . .
B5 B6 B1 60.1(6) . .
B3 B6 B1 108.8(7) 2_666 .
B2 B6 B4 59.6(5) . 2_666
B5 B6 B4 108.3(7) . 2_666
B3 B6 B4 59.6(6) 2_666 2_666
B1 B6 B4 108.3(6) . 2_666
B2 B6 H6 123.0 . .
B5 B6 H6 121.6 . .
B3 B6 H6 121.6 2_666 .
B1 B6 H6 121.3 . .
B4 B6 H6 121.7 2_666 .
B10 B7 B9 59.3(4) 2_655 2_655
B10 B7 B8 59.7(4) 2_655 .
B9 B7 B8 107.3(5) 2_655 .
B10 B7 B11 107.2(5) 2_655 .
B9 B7 B11 59.7(4) 2_655 .
B8 B7 B11 108.1(5) . .
B10 B7 B12 107.9(5) 2_655 .
B9 B7 B12 107.9(5) 2_655 .
B8 B7 B12 60.5(4) . .
B11 B7 B12 60.1(4) . .
B10 B7 H7 122.4 2_655 .
B9 B7 H7 122.3 2_655 .
B8 B7 H7 121.6 . .
B11 B7 H7 121.9 . .
B12 B7 H7 121.3 . .
B12 B9 B10 60.5(4) . .
B12 B9 B11 109.7(5) . 2_655
B10 B9 B11 108.2(5) . 2_655
B12 B9 B7 109.7(5) . 2_655
B10 B9 B7 60.0(4) . 2_655
B11 B9 B7 60.3(4) 2_655 2_655
B12 B9 B8 60.8(4) . .
B10 B9 B8 108.4(5) . .
B11 B9 B8 60.4(4) 2_655 .
B7 B9 B8 108.9(5) 2_655 .
B12 B9 H9 120.2 . .
B10 B9 H9 121.8 . .
B11 B9 H9 121.3 2_655 .
B7 B9 H9 121.2 2_655 .
B8 B9 H9 121.2 . .
B10 B8 B7 59.9(4) 2_655 .
B10 B8 B9 106.8(5) 2_655 .
B7 B8 B9 107.3(5) . .
B10 B8 B11 59.8(4) 2_655 2_655
B7 B8 B11 108.1(5) . 2_655
B9 B8 B11 59.6(4) . 2_655
B10 B8 B12 108.0(5) 2_655 .
B7 B8 B12 60.4(4) . .
B9 B8 B12 59.6(4) . .
B11 B8 B12 108.2(5) 2_655 .
B10 B8 H8 122.3 2_655 .
B7 B8 H8 121.6 . .
B9 B8 H8 122.6 . .
B11 B8 H8 121.7 2_655 .
B12 B8 H8 121.4 . .
B12 B10 B9 60.5(4) . .
B12 B10 B8 110.2(5) . 2_655
B9 B10 B8 109.1(5) . 2_655
B12 B10 B7 110.2(5) . 2_655
B9 B10 B7 60.7(4) . 2_655
B8 B10 B7 60.5(4) 2_655 2_655
B12 B10 B11 60.7(4) . .
B9 B10 B11 108.7(5) . .
B8 B10 B11 60.7(4) 2_655 .
B7 B10 B11 109.3(5) 2_655 .
B12 B10 H10 120.2 . .
B9 B10 H10 121.4 . .
B8 B10 H10 120.8 2_655 .
B7 B10 H10 120.7 2_655 .
B11 B10 H10 121.1 . .
B10 B11 B12 60.0(4) . .
B10 B11 B9 106.7(5) . 2_655
B12 B11 B9 108.3(5) . 2_655
B10 B11 B7 107.4(5) . .
B12 B11 B7 60.4(4) . .
B9 B11 B7 60.0(4) 2_655 .
B10 B11 B8 59.4(4) . 2_655
B12 B11 B8 108.5(5) . 2_655
B9 B11 B8 60.0(4) 2_655 2_655
B7 B11 B8 108.3(5) . 2_655
B10 B11 H11B 122.7 . .
B12 B11 H11B 121.1 . .
B9 B11 H11B 122.1 2_655 .
B7 B11 H11B 121.5 . .
B8 B11 H11B 121.6 2_655 .
B10 B12 B9 58.9(4) . .
B10 B12 B11 59.3(4) . .
B9 B12 B11 106.3(5) . .
B10 B12 B7 106.2(5) . .
B9 B12 B7 106.3(5) . .
B11 B12 B7 59.5(4) . .
B10 B12 B8 106.2(5) . .
B9 B12 B8 59.5(4) . .
B11 B12 B8 106.5(5) . .
B7 B12 B8 59.1(4) . .
B10 B12 H22 122.7 . .
B9 B12 H22 122.7 . .
B11 B12 H22 122.5 . .
B7 B12 H22 122.9 . .
B8 B12 H22 122.8 . .
Cl1 C200 Cl2 114.5(6) . .
Cl1 C200 H20A 109.1 . .
Cl2 C200 H20A 108.6 . .
Cl1 C200 H20B 108.7 . .
Cl2 C200 H20B 108.3 . .
H20A C200 H20B 107.5 . .
Cl4 C300 Cl3 125.6(9) . .
Cl4 C300 H30A 105.9 . .
Cl3 C300 H30A 105.9 . .
Cl4 C300 H30B 105.9 . .
Cl3 C300 H30B 105.9 . .
H30A C300 H30B 106.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh1 C3 2.123(5) .
Rh1 O1 2.139(3) .
Rh1 C1 2.148(5) .
Rh1 C2 2.216(5) .
Rh1 P2 2.2810(13) .
Rh1 P01 2.3483(13) .
Rh1 S1 2.4579(12) .
S1 C15 1.809(5) .
S1 C4 1.814(6) .
P01 C30 1.828(5) .
P01 C42 1.828(5) .
P01 C36 1.830(5) .
P2 C53 1.819(5) .
P2 C60 1.834(5) .
P2 C54 1.834(5) .
O1 C1 1.314(6) .
O2 C47 1.398(6) .
O2 C48 1.400(6) .
C1 C2 1.437(7) .
C1 C10 1.498(7) .
C2 C3 1.452(7) .
C2 C20 1.485(7) .
C3 H3A 0.9900 .
C3 H3B 0.9900 .
C4 H4A 0.9800 .
C4 H4B 0.9800 .
C4 H4C 0.9800 .
C10 C11 1.394(7) .
C10 C15 1.395(7) .
C11 C12 1.394(8) .
C11 H11 0.9500 .
C12 C13 1.380(9) .
C12 H12 0.9500 .
C13 C14 1.393(8) .
C13 H13 0.9500 .
C14 C15 1.391(7) .
C14 H14 0.9500 .
C20 C21 1.396(7) .
C20 C25 1.403(7) .
C21 C22 1.394(7) .
C21 H21 0.9500 .
C22 C23 1.383(8) .
C22 C26 1.496(8) .
C23 C24 1.391(7) .
C23 H23 0.9500 .
C24 C25 1.382(7) .
C24 C27 1.490(8) .
C25 H25 0.9500 .
C26 F101 1.320(10) .
C26 F1 1.323(9) .
C26 F103 1.337(10) .
C26 F2 1.345(9) .
C26 F3 1.351(8) .
C26 F102 1.364(10) .
C27 F106 1.301(9) .
C27 F4 1.302(8) .
C27 F104 1.302(9) .
C27 F6 1.331(8) .
C27 F5 1.352(8) .
C27 F105 1.356(10) .
C61 C62 1.389(8) .
C61 C60 1.399(7) .
C61 H61 0.9500 .
C37 C38 1.383(8) .
C37 C36 1.397(7) .
C37 H37 0.9500 .
C53 C48 1.394(7) .
C53 C52 1.397(7) .
C65 C64 1.391(8) .
C65 C60 1.395(7) .
C65 H65 0.9500 .
C54 C55 1.389(7) .
C54 C59 1.397(7) .
C30 C31 1.398(7) .
C30 C35 1.401(7) .
C48 C49 1.380(7) .
C36 C41 1.393(7) .
C49 C50 1.388(8) .
C49 H49 0.9500 .
C55 C56 1.392(8) .
C55 H55 0.9500 .
C51 C52 1.384(7) .
C51 C50 1.386(8) .
C51 H51 0.9500 .
C47 C46 1.387(7) .
C47 C42 1.391(7) .
C42 C43 1.404(7) .
C38 C39 1.390(8) .
C38 H38 0.9500 .
C52 H52 0.9500 .
C50 H50 0.9500 .
C31 C32 1.381(8) .
C31 H31 0.9500 .
C35 C34 1.391(8) .
C35 H35 0.9500 .
C41 C40 1.389(8) .
C41 H41 0.9500 .
C39 C40 1.376(8) .
C39 H39 0.9500 .
C56 C57 1.380(9) .
C56 H56 0.9500 .
C43 C44 1.391(8) .
C43 H43 0.9500 .
C59 C58 1.374(8) .
C59 H59 0.9500 .
C40 H40 0.9500 .
C62 C63 1.384(9) .
C62 H62 0.9500 .
C46 C45 1.389(8) .
C46 H46 0.9500 .
C63 C64 1.392(9) .
C63 H63 0.9500 .
C34 C33 1.377(9) .
C34 H34 0.9500 .
C33 C32 1.385(9) .
C33 H33 0.9500 .
C64 H64 0.9500 .
C57 C58 1.389(9) .
C57 H57 0.9500 .
C32 H32 0.9500 .
C45 C44 1.379(9) .
C45 H45 0.9500 .
C44 H44 0.9500 .
C58 H58 0.9500 .
B1 B2 1.741(14) .
B1 B4 1.749(14) .
B1 B5 1.761(16) .
B1 B6 1.771(12) .
B1 B3 1.785(11) .
B1 H1 1.1200 .
B2 B3 1.736(13) .
B2 B6 1.738(14) .
B2 B4 1.747(13) 2_666
B2 B5 1.751(12) 2_666
B2 H2 1.1200 .
B3 B4 1.758(17) .
B3 B6 1.760(14) 2_666
B3 B5 1.773(12) 2_666
B3 H3 1.1200 .
B4 B2 1.747(13) 2_666
B4 B5 1.777(13) .
B4 B6 1.777(12) 2_666
B4 H4 1.1200 .
B5 B6 1.744(16) .
B5 B2 1.751(12) 2_666
B5 B3 1.773(12) 2_666
B5 H5 1.1200 .
B6 B3 1.760(14) 2_666
B6 B4 1.777(12) 2_666
B6 H6 1.1200 .
B7 B10 1.756(10) 2_655
B7 B9 1.766(11) 2_655
B7 B8 1.767(10) .
B7 B11 1.773(10) .
B7 B12 1.789(10) .
B7 H7 1.1200 .
B9 B12 1.770(9) .
B9 B10 1.742(10) .
B9 B11 1.762(10) 2_655
B9 B7 1.766(11) 2_655
B9 B8 1.769(10) .
B9 H9 1.1200 .
B8 B10 1.752(11) 2_655
B8 B11 1.775(11) 2_655
B8 B12 1.792(10) .
B8 H8 1.1200 .
B10 B12 1.771(10) .
B10 B8 1.752(11) 2_655
B10 B7 1.756(10) 2_655
B10 B11 1.759(9) .
B10 H10 1.1200 .
B11 B12 1.785(10) .
B11 B9 1.762(10) 2_655
B11 B8 1.775(11) 2_655
B11 H11B 1.1200 .
B12 H22 1.1200 .
C200 Cl1 1.695(10) .
C200 Cl2 1.799(8) .
C200 H20A 0.9900 .
C200 H20B 0.9900 .
C300 Cl4 1.647(10) .
C300 Cl3 1.687(10) .
C300 H30A 0.9900 .
C300 H30B 0.9900 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
C3 Rh1 S1 C15 4.1(3) . .
O1 Rh1 S1 C15 50.63(19) . .
C1 Rh1 S1 C15 14.7(2) . .
C2 Rh1 S1 C15 -9.7(2) . .
P2 Rh1 S1 C15 -116.21(17) . .
P01 Rh1 S1 C15 144.73(17) . .
C3 Rh1 S1 C4 -98.0(3) . .
O1 Rh1 S1 C4 -51.5(2) . .
C1 Rh1 S1 C4 -87.4(2) . .
C2 Rh1 S1 C4 -111.8(2) . .
P2 Rh1 S1 C4 141.62(19) . .
P01 Rh1 S1 C4 42.6(2) . .
C3 Rh1 P01 C30 58.3(2) . .
O1 Rh1 P01 C30 -17.19(19) . .
C1 Rh1 P01 C30 -10.0(3) . .
C2 Rh1 P01 C30 43.0(3) . .
P2 Rh1 P01 C30 162.21(17) . .
S1 Rh1 P01 C30 -102.45(17) . .
C3 Rh1 P01 C42 174.1(2) . .
O1 Rh1 P01 C42 98.6(2) . .
C1 Rh1 P01 C42 105.8(3) . .
C2 Rh1 P01 C42 158.8(3) . .
P2 Rh1 P01 C42 -82.0(2) . .
S1 Rh1 P01 C42 13.3(2) . .
C3 Rh1 P01 C36 -57.6(2) . .
O1 Rh1 P01 C36 -133.0(2) . .
C1 Rh1 P01 C36 -125.8(3) . .
C2 Rh1 P01 C36 -72.9(3) . .
P2 Rh1 P01 C36 46.38(19) . .
S1 Rh1 P01 C36 141.72(19) . .
C3 Rh1 P2 C53 107.0(2) . .
O1 Rh1 P2 C53 -175.7(4) . .
C1 Rh1 P2 C53 179.1(2) . .
C2 Rh1 P2 C53 147.1(2) . .
P01 Rh1 P2 C53 6.85(18) . .
S1 Rh1 P2 C53 -100.05(18) . .
C3 Rh1 P2 C60 -15.4(2) . .
O1 Rh1 P2 C60 61.8(5) . .
C1 Rh1 P2 C60 56.6(3) . .
C2 Rh1 P2 C60 24.7(2) . .
P01 Rh1 P2 C60 -115.62(18) . .
S1 Rh1 P2 C60 137.49(18) . .
C3 Rh1 P2 C54 -134.7(2) . .
O1 Rh1 P2 C54 -57.4(5) . .
C1 Rh1 P2 C54 -62.7(3) . .
C2 Rh1 P2 C54 -94.6(2) . .
P01 Rh1 P2 C54 125.10(18) . .
S1 Rh1 P2 C54 18.21(18) . .
C3 Rh1 O1 C1 73.8(3) . .
C2 Rh1 O1 C1 33.4(3) . .
P2 Rh1 O1 C1 -6.8(6) . .
P01 Rh1 O1 C1 170.7(3) . .
S1 Rh1 O1 C1 -83.5(3) . .
Rh1 O1 C1 C2 -59.6(4) . .
Rh1 O1 C1 C10 113.0(4) . .
C3 Rh1 C1 O1 -94.1(3) . .
C2 Rh1 C1 O1 -126.6(4) . .
P2 Rh1 C1 O1 177.90(18) . .
P01 Rh1 C1 O1 -12.3(3) . .
S1 Rh1 C1 O1 91.7(2) . .
C3 Rh1 C1 C2 32.4(3) . .
O1 Rh1 C1 C2 126.6(4) . .
P2 Rh1 C1 C2 -55.5(3) . .
P01 Rh1 C1 C2 114.3(3) . .
S1 Rh1 C1 C2 -141.7(3) . .
C3 Rh1 C1 C10 154.6(4) . .
O1 Rh1 C1 C10 -111.3(5) . .
C2 Rh1 C1 C10 122.2(5) . .
P2 Rh1 C1 C10 66.6(4) . .
P01 Rh1 C1 C10 -123.6(3) . .
S1 Rh1 C1 C10 -19.6(3) . .
O1 C1 C2 C3 6.9(6) . .
C10 C1 C2 C3 -165.0(4) . .
Rh1 C1 C2 C3 -51.9(4) . .
O1 C1 C2 C20 -172.8(4) . .
C10 C1 C2 C20 15.4(8) . .
Rh1 C1 C2 C20 128.4(5) . .
O1 C1 C2 Rh1 58.8(4) . .
C10 C1 C2 Rh1 -113.1(5) . .
C3 Rh1 C2 C1 -127.7(4) . .
O1 Rh1 C2 C1 -31.1(3) . .
P2 Rh1 C2 C1 140.0(3) . .
P01 Rh1 C2 C1 -103.2(3) . .
S1 Rh1 C2 C1 41.1(3) . .
O1 Rh1 C2 C3 96.6(3) . .
C1 Rh1 C2 C3 127.7(4) . .
P2 Rh1 C2 C3 -92.4(3) . .
P01 Rh1 C2 C3 24.5(4) . .
S1 Rh1 C2 C3 168.8(3) . .
C3 Rh1 C2 C20 111.9(6) . .
O1 Rh1 C2 C20 -151.5(5) . .
C1 Rh1 C2 C20 -120.4(6) . .
P2 Rh1 C2 C20 19.6(5) . .
P01 Rh1 C2 C20 136.5(4) . .
S1 Rh1 C2 C20 -79.3(5) . .
C1 C2 C3 Rh1 52.6(4) . .
C20 C2 C3 Rh1 -127.8(4) . .
O1 Rh1 C3 C2 -69.0(3) . .
C1 Rh1 C3 C2 -31.9(3) . .
P2 Rh1 C3 C2 97.3(3) . .
P01 Rh1 C3 C2 -162.7(3) . .
S1 Rh1 C3 C2 -20.7(5) . .
O1 C1 C10 C11 113.7(5) . .
C2 C1 C10 C11 -74.5(7) . .
Rh1 C1 C10 C11 -163.6(4) . .
O1 C1 C10 C15 -64.5(6) . .
C2 C1 C10 C15 107.4(6) . .
Rh1 C1 C10 C15 18.2(6) . .
C15 C10 C11 C12 -0.7(8) . .
C1 C10 C11 C12 -178.8(5) . .
C10 C11 C12 C13 -0.2(8) . .
C11 C12 C13 C14 0.7(9) . .
C12 C13 C14 C15 -0.3(9) . .
C13 C14 C15 C10 -0.6(8) . .
C13 C14 C15 S1 -179.3(4) . .
C11 C10 C15 C14 1.0(8) . .
C1 C10 C15 C14 179.3(5) . .
C11 C10 C15 S1 179.8(4) . .
C1 C10 C15 S1 -2.0(6) . .
C4 S1 C15 C14 -83.1(5) . .
Rh1 S1 C15 C14 167.2(4) . .
C4 S1 C15 C10 98.1(4) . .
Rh1 S1 C15 C10 -11.6(4) . .
C1 C2 C20 C21 146.7(5) . .
C3 C2 C20 C21 -32.9(7) . .
Rh1 C2 C20 C21 -119.6(5) . .
C1 C2 C20 C25 -30.4(8) . .
C3 C2 C20 C25 149.9(5) . .
Rh1 C2 C20 C25 63.2(7) . .
C25 C20 C21 C22 -1.2(8) . .
C2 C20 C21 C22 -178.5(5) . .
C20 C21 C22 C23 -0.9(8) . .
C20 C21 C22 C26 177.4(5) . .
C21 C22 C23 C24 1.8(8) . .
C26 C22 C23 C24 -176.5(5) . .
C22 C23 C24 C25 -0.5(8) . .
C22 C23 C24 C27 -179.3(5) . .
C23 C24 C25 C20 -1.6(8) . .
C27 C24 C25 C20 177.2(5) . .
C21 C20 C25 C24 2.4(7) . .
C2 C20 C25 C24 179.6(5) . .
C23 C22 C26 F101 -10(2) . .
C21 C22 C26 F101 172(2) . .
C23 C22 C26 F1 -107.5(14) . .
C21 C22 C26 F1 74.2(15) . .
C23 C22 C26 F103 113.6(16) . .
C21 C22 C26 F103 -64.7(16) . .
C23 C22 C26 F2 131.0(12) . .
C21 C22 C26 F2 -47.4(13) . .
C23 C22 C26 F3 13.8(12) . .
C21 C22 C26 F3 -164.5(11) . .
C23 C22 C26 F102 -130.0(15) . .
C21 C22 C26 F102 51.7(16) . .
C25 C24 C27 F106 156.3(17) . .
C23 C24 C27 F106 -24.8(17) . .
C25 C24 C27 F4 -123.3(11) . .
C23 C24 C27 F4 55.5(11) . .
C25 C24 C27 F104 30.4(16) . .
C23 C24 C27 F104 -150.8(15) . .
C25 C24 C27 F6 -1.0(12) . .
C23 C24 C27 F6 177.9(10) . .
C25 C24 C27 F5 116.4(11) . .
C23 C24 C27 F5 -64.8(12) . .
C25 C24 C27 F105 -87.0(16) . .
C23 C24 C27 F105 91.8(15) . .
C60 P2 C53 C48 179.8(4) . .
C54 P2 C53 C48 -70.5(4) . .
Rh1 P2 C53 C48 52.4(4) . .
C60 P2 C53 C52 -0.5(5) . .
C54 P2 C53 C52 109.1(4) . .
Rh1 P2 C53 C52 -128.0(4) . .
C53 P2 C54 C55 1.2(5) . .
C60 P2 C54 C55 110.4(4) . .
Rh1 P2 C54 C55 -125.0(4) . .
C53 P2 C54 C59 179.1(4) . .
C60 P2 C54 C59 -71.7(4) . .
Rh1 P2 C54 C59 52.8(4) . .
C42 P01 C30 C31 -49.1(5) . .
C36 P01 C30 C31 -158.6(4) . .
Rh1 P01 C30 C31 75.0(4) . .
C42 P01 C30 C35 138.0(4) . .
C36 P01 C30 C35 28.5(5) . .
Rh1 P01 C30 C35 -97.9(4) . .
C64 C65 C60 C61 -0.5(8) . .
C64 C65 C60 P2 178.6(4) . .
C62 C61 C60 C65 0.2(8) . .
C62 C61 C60 P2 -178.9(4) . .
C53 P2 C60 C65 117.4(4) . .
C54 P2 C60 C65 9.3(5) . .
Rh1 P2 C60 C65 -113.7(4) . .
C53 P2 C60 C61 -63.5(4) . .
C54 P2 C60 C61 -171.6(4) . .
Rh1 P2 C60 C61 65.5(4) . .
C52 C53 C48 C49 -0.6(7) . .
P2 C53 C48 C49 179.1(4) . .
C52 C53 C48 O2 -178.6(4) . .
P2 C53 C48 O2 1.0(6) . .
C47 O2 C48 C49 46.1(6) . .
C47 O2 C48 C53 -135.8(4) . .
C38 C37 C36 C41 0.1(8) . .
C38 C37 C36 P01 179.2(4) . .
C30 P01 C36 C41 101.7(4) . .
C42 P01 C36 C41 -8.0(5) . .
Rh1 P01 C36 C41 -142.0(4) . .
C30 P01 C36 C37 -77.3(4) . .
C42 P01 C36 C37 173.0(4) . .
Rh1 P01 C36 C37 38.9(5) . .
C53 C48 C49 C50 2.3(8) . .
O2 C48 C49 C50 -179.7(5) . .
C59 C54 C55 C56 -1.2(8) . .
P2 C54 C55 C56 176.7(4) . .
C48 O2 C47 C46 -104.6(5) . .
C48 O2 C47 C42 76.6(5) . .
C46 C47 C42 C43 2.9(8) . .
O2 C47 C42 C43 -178.4(4) . .
C46 C47 C42 P01 -175.8(4) . .
O2 C47 C42 P01 2.9(6) . .
C30 P01 C42 C47 159.2(4) . .
C36 P01 C42 C47 -91.7(4) . .
Rh1 P01 C42 C47 43.6(5) . .
C30 P01 C42 C43 -19.4(5) . .
C36 P01 C42 C43 89.6(5) . .
Rh1 P01 C42 C43 -135.0(4) . .
C36 C37 C38 C39 1.4(8) . .
C50 C51 C52 C53 2.2(8) . .
C48 C53 C52 C51 -1.7(7) . .
P2 C53 C52 C51 178.7(4) . .
C52 C51 C50 C49 -0.4(8) . .
C48 C49 C50 C51 -1.8(8) . .
C35 C30 C31 C32 -1.3(8) . .
P01 C30 C31 C32 -174.3(4) . .
C31 C30 C35 C34 -0.2(8) . .
P01 C30 C35 C34 172.8(4) . .
C37 C36 C41 C40 -1.6(8) . .
P01 C36 C41 C40 179.4(4) . .
C37 C38 C39 C40 -1.4(8) . .
C54 C55 C56 C57 1.3(8) . .
C47 C42 C43 C44 -1.7(8) . .
P01 C42 C43 C44 177.0(5) . .
C55 C54 C59 C58 0.2(8) . .
P2 C54 C59 C58 -177.8(4) . .
C38 C39 C40 C41 0.0(9) . .
C36 C41 C40 C39 1.5(8) . .
C60 C61 C62 C63 0.1(9) . .
C42 C47 C46 C45 -2.0(8) . .
O2 C47 C46 C45 179.3(5) . .
C61 C62 C63 C64 -0.2(9) . .
C30 C35 C34 C33 1.4(8) . .
C35 C34 C33 C32 -1.1(9) . .
C60 C65 C64 C63 0.4(9) . .
C62 C63 C64 C65 0.0(9) . .
C55 C56 C57 C58 -0.5(9) . .
C30 C31 C32 C33 1.6(8) . .
C34 C33 C32 C31 -0.4(9) . .
C47 C46 C45 C44 -0.2(9) . .
C46 C45 C44 C43 1.4(10) . .
C42 C43 C44 C45 -0.4(9) . .
C54 C59 C58 C57 0.6(8) . .
C56 C57 C58 C59 -0.5(9) . .
B4 B1 B2 B3 -38.6(7) . .
B5 B1 B2 B3 -102.1(7) . .
B6 B1 B2 B3 -140.0(8) . .
B4 B1 B2 B6 101.4(7) . .
B5 B1 B2 B6 37.9(6) . .
B3 B1 B2 B6 140.0(8) . .
B4 B1 B2 B4 64.5(8) . 2_666
B5 B1 B2 B4 1.0(8) . 2_666
B6 B1 B2 B4 -36.9(6) . 2_666
B3 B1 B2 B4 103.0(8) . 2_666
B4 B1 B2 B5 -1.6(9) . 2_666
B5 B1 B2 B5 -65.1(8) . 2_666
B6 B1 B2 B5 -103.0(8) . 2_666
B3 B1 B2 B5 37.0(7) . 2_666
B6 B2 B3 B4 1.1(8) . .
B1 B2 B3 B4 38.3(6) . .
B4 B2 B3 B4 -65.2(8) 2_666 .
B5 B2 B3 B4 -101.9(8) 2_666 .
B6 B2 B3 B6 64.4(8) . 2_666
B1 B2 B3 B6 101.6(8) . 2_666
B4 B2 B3 B6 -1.8(9) 2_666 2_666
B5 B2 B3 B6 -38.6(7) 2_666 2_666
B6 B2 B3 B5 103.0(8) . 2_666
B1 B2 B3 B5 140.2(8) . 2_666
B4 B2 B3 B5 36.7(7) 2_666 2_666
B6 B2 B3 B1 -37.2(6) . .
B4 B2 B3 B1 -103.5(9) 2_666 .
B5 B2 B3 B1 -140.2(8) 2_666 .
B4 B1 B3 B2 136.0(7) . .
B5 B1 B3 B2 98.0(7) . .
B6 B1 B3 B2 35.4(7) . .
B2 B1 B3 B4 -136.0(7) . .
B5 B1 B3 B4 -38.0(6) . .
B6 B1 B3 B4 -100.5(8) . .
B2 B1 B3 B6 -98.2(8) . 2_666
B4 B1 B3 B6 37.7(6) . 2_666
B5 B1 B3 B6 -0.3(9) . 2_666
B6 B1 B3 B6 -62.8(10) . 2_666
B2 B1 B3 B5 -35.7(8) . 2_666
B4 B1 B3 B5 100.3(8) . 2_666
B5 B1 B3 B5 62.3(10) . 2_666
B6 B1 B3 B5 -0.2(11) . 2_666
B2 B1 B4 B2 -61.6(9) . 2_666
B5 B1 B4 B2 38.2(6) . 2_666
B6 B1 B4 B2 0.6(9) . 2_666
B3 B1 B4 B2 -99.8(7) . 2_666
B2 B1 B4 B3 38.2(6) . .
B5 B1 B4 B3 138.0(6) . .
B6 B1 B4 B3 100.4(7) . .
B2 B1 B4 B5 -99.7(7) . .
B6 B1 B4 B5 -37.6(6) . .
B3 B1 B4 B5 -138.0(6) . .
B2 B1 B4 B6 0.7(9) . 2_666
B5 B1 B4 B6 100.5(7) . 2_666
B6 B1 B4 B6 62.9(9) . 2_666
B3 B1 B4 B6 -37.5(6) . 2_666
B2 B3 B4 B2 62.1(8) . 2_666
B6 B3 B4 B2 -37.6(6) 2_666 2_666
B5 B3 B4 B2 -0.6(8) 2_666 2_666
B1 B3 B4 B2 100.5(6) . 2_666
B2 B3 B4 B1 -38.3(6) . .
B6 B3 B4 B1 -138.1(6) 2_666 .
B5 B3 B4 B1 -101.1(6) 2_666 .
B2 B3 B4 B5 -0.6(8) . .
B6 B3 B4 B5 -100.4(6) 2_666 .
B5 B3 B4 B5 -63.4(8) 2_666 .
B1 B3 B4 B5 37.7(6) . .
B2 B3 B4 B6 99.8(6) . 2_666
B5 B3 B4 B6 37.0(6) 2_666 2_666
B1 B3 B4 B6 138.1(6) . 2_666
B2 B1 B5 B6 -38.0(6) . .
B4 B1 B5 B6 -137.4(6) . .
B3 B1 B5 B6 -100.0(7) . .
B2 B1 B5 B2 61.5(8) . 2_666
B4 B1 B5 B2 -37.9(6) . 2_666
B6 B1 B5 B2 99.5(7) . 2_666
B3 B1 B5 B2 -0.4(9) . 2_666
B2 B1 B5 B3 -0.6(8) . 2_666
B4 B1 B5 B3 -100.0(7) . 2_666
B6 B1 B5 B3 37.4(6) . 2_666
B3 B1 B5 B3 -62.5(9) . 2_666
B2 B1 B5 B4 99.4(6) . .
B6 B1 B5 B4 137.4(6) . .
B3 B1 B5 B4 37.5(6) . .
B2 B4 B5 B6 -98.5(7) 2_666 .
B1 B4 B5 B6 38.2(6) . .
B3 B4 B5 B6 0.0(8) . .
B6 B4 B5 B6 -63.3(10) 2_666 .
B1 B4 B5 B2 136.7(8) . 2_666
B3 B4 B5 B2 98.4(8) . 2_666
B6 B4 B5 B2 35.2(8) 2_666 2_666
B2 B4 B5 B1 -136.7(8) 2_666 .
B3 B4 B5 B1 -38.3(6) . .
B6 B4 B5 B1 -101.5(8) 2_666 .
B2 B4 B5 B3 -35.1(8) 2_666 2_666
B1 B4 B5 B3 101.6(8) . 2_666
B3 B4 B5 B3 63.3(10) . 2_666
B6 B4 B5 B3 0.0(11) 2_666 2_666
B3 B2 B6 B5 -1.1(8) . .
B1 B2 B6 B5 -38.6(6) . .
B4 B2 B6 B5 101.7(7) 2_666 .
B5 B2 B6 B5 64.9(8) 2_666 .
B3 B2 B6 B3 -64.9(8) . 2_666
B1 B2 B6 B3 -102.4(7) . 2_666
B4 B2 B6 B3 37.9(7) 2_666 2_666
B5 B2 B6 B3 1.1(9) 2_666 2_666
B3 B2 B6 B1 37.4(6) . .
B4 B2 B6 B1 140.3(8) 2_666 .
B5 B2 B6 B1 103.5(8) 2_666 .
B3 B2 B6 B4 -102.8(8) . 2_666
B1 B2 B6 B4 -140.3(8) . 2_666
B5 B2 B6 B4 -36.8(7) 2_666 2_666
B2 B5 B6 B2 -61.5(9) 2_666 .
B1 B5 B6 B2 38.3(6) . .
B3 B5 B6 B2 -100.1(7) 2_666 .
B4 B5 B6 B2 0.7(8) . .
B2 B5 B6 B3 38.5(6) 2_666 2_666
B1 B5 B6 B3 138.4(6) . 2_666
B4 B5 B6 B3 100.8(6) . 2_666
B2 B5 B6 B1 -99.8(7) 2_666 .
B3 B5 B6 B1 -138.4(6) 2_666 .
B4 B5 B6 B1 -37.6(6) . .
B2 B5 B6 B4 1.2(9) 2_666 2_666
B1 B5 B6 B4 101.1(7) . 2_666
B3 B5 B6 B4 -37.3(6) 2_666 2_666
B4 B5 B6 B4 63.5(9) . 2_666
B4 B1 B6 B2 -98.2(7) . .
B5 B1 B6 B2 -136.5(7) . .
B3 B1 B6 B2 -35.3(7) . .
B2 B1 B6 B5 136.5(7) . .
B4 B1 B6 B5 38.3(6) . .
B3 B1 B6 B5 101.2(8) . .
B2 B1 B6 B3 98.7(7) . 2_666
B4 B1 B6 B3 0.5(9) . 2_666
B5 B1 B6 B3 -37.8(6) . 2_666
B3 B1 B6 B3 63.4(10) . 2_666
B2 B1 B6 B4 35.5(7) . 2_666
B4 B1 B6 B4 -62.7(11) . 2_666
B5 B1 B6 B4 -101.0(8) . 2_666
B3 B1 B6 B4 0.2(11) . 2_666
B9 B7 B8 B10 -36.6(5) 2_655 2_655
B11 B7 B8 B10 -99.7(6) . 2_655
B12 B7 B8 B10 -137.8(5) . 2_655
B10 B7 B8 B9 99.7(6) 2_655 .
B9 B7 B8 B9 63.1(7) 2_655 .
B11 B7 B8 B9 0.0(7) . .
B12 B7 B8 B9 -38.1(5) . .
B10 B7 B8 B11 36.7(5) 2_655 2_655
B9 B7 B8 B11 0.1(7) 2_655 2_655
B11 B7 B8 B11 -62.9(7) . 2_655
B12 B7 B8 B11 -101.0(5) . 2_655
B10 B7 B8 B12 137.8(5) 2_655 .
B9 B7 B8 B12 101.2(5) 2_655 .
B11 B7 B8 B12 38.1(5) . .
B12 B9 B8 B10 101.3(5) . 2_655
B10 B9 B8 B10 62.6(7) . 2_655
B11 B9 B8 B10 -38.3(5) 2_655 2_655
B7 B9 B8 B10 -1.2(6) 2_655 2_655
B12 B9 B8 B7 38.4(5) . .
B10 B9 B8 B7 -0.3(7) . .
B11 B9 B8 B7 -101.2(6) 2_655 .
B7 B9 B8 B7 -64.1(7) 2_655 .
B12 B9 B8 B11 139.7(5) . 2_655
B10 B9 B8 B11 100.9(6) . 2_655
B7 B9 B8 B11 37.1(5) 2_655 2_655
B10 B9 B8 B12 -38.8(5) . .
B11 B9 B8 B12 -139.7(5) 2_655 .
B7 B9 B8 B12 -102.5(5) 2_655 .
B11 B9 B10 B12 102.9(5) 2_655 .
B7 B9 B10 B12 140.6(5) 2_655 .
B8 B9 B10 B12 38.9(5) . .
B12 B9 B10 B8 -103.0(5) . 2_655
B11 B9 B10 B8 -0.1(7) 2_655 2_655
B7 B9 B10 B8 37.6(5) 2_655 2_655
B8 B9 B10 B8 -64.1(7) . 2_655
B12 B9 B10 B7 -140.6(5) . 2_655
B11 B9 B10 B7 -37.7(5) 2_655 2_655
B8 B9 B10 B7 -101.7(6) . 2_655
B12 B9 B10 B11 -38.4(5) . .
B11 B9 B10 B11 64.5(7) 2_655 .
B7 B9 B10 B11 102.2(6) 2_655 .
B8 B9 B10 B11 0.5(7) . .
B9 B10 B11 B12 38.3(5) . .
B8 B10 B11 B12 140.2(5) 2_655 .
B7 B10 B11 B12 102.8(5) 2_655 .
B12 B10 B11 B9 -101.8(5) . 2_655
B9 B10 B11 B9 -63.5(7) . 2_655
B8 B10 B11 B9 38.4(5) 2_655 2_655
B7 B10 B11 B9 1.0(7) 2_655 2_655
B12 B10 B11 B7 -38.8(5) . .
B9 B10 B11 B7 -0.5(7) . .
B8 B10 B11 B7 101.4(6) 2_655 .
B7 B10 B11 B7 64.1(7) 2_655 .
B12 B10 B11 B8 -140.2(5) . 2_655
B9 B10 B11 B8 -101.9(6) . 2_655
B7 B10 B11 B8 -37.3(5) 2_655 2_655
B10 B7 B11 B10 -62.6(7) 2_655 .
B9 B7 B11 B10 -99.6(6) 2_655 .
B8 B7 B11 B10 0.3(7) . .
B12 B7 B11 B10 38.6(5) . .
B10 B7 B11 B12 -101.2(5) 2_655 .
B9 B7 B11 B12 -138.2(5) 2_655 .
B8 B7 B11 B12 -38.3(5) . .
B10 B7 B11 B9 37.0(5) 2_655 2_655
B8 B7 B11 B9 99.9(5) . 2_655
B12 B7 B11 B9 138.2(5) . 2_655
B10 B7 B11 B8 0.2(7) 2_655 2_655
B9 B7 B11 B8 -36.8(5) 2_655 2_655
B8 B7 B11 B8 63.1(7) . 2_655
B12 B7 B11 B8 101.3(5) . 2_655
B8 B10 B12 B9 101.1(5) 2_655 .
B7 B10 B12 B9 36.2(5) 2_655 .
B11 B10 B12 B9 137.6(5) . .
B9 B10 B12 B11 -137.6(5) . .
B8 B10 B12 B11 -36.6(5) 2_655 .
B7 B10 B12 B11 -101.5(6) 2_655 .
B9 B10 B12 B7 -99.6(5) . .
B8 B10 B12 B7 1.5(6) 2_655 .
B7 B10 B12 B7 -63.4(6) 2_655 .
B11 B10 B12 B7 38.1(4) . .
B9 B10 B12 B8 -37.7(5) . .
B8 B10 B12 B8 63.3(6) 2_655 .
B7 B10 B12 B8 -1.6(7) 2_655 .
B11 B10 B12 B8 99.9(5) . .
B11 B9 B12 B10 -100.3(6) 2_655 .
B7 B9 B12 B10 -35.8(5) 2_655 .
B8 B9 B12 B10 -137.0(5) . .
B10 B9 B12 B11 37.1(5) . .
B11 B9 B12 B11 -63.1(7) 2_655 .
B7 B9 B12 B11 1.4(6) 2_655 .
B8 B9 B12 B11 -99.8(5) . .
B10 B9 B12 B7 99.4(6) . .
B11 B9 B12 B7 -0.9(7) 2_655 .
B7 B9 B12 B7 63.6(7) 2_655 .
B8 B9 B12 B7 -37.6(5) . .
B10 B9 B12 B8 137.0(5) . .
B11 B9 B12 B8 36.7(5) 2_655 .
B7 B9 B12 B8 101.2(6) 2_655 .
B9 B11 B12 B10 99.1(5) 2_655 .
B7 B11 B12 B10 136.6(5) . .
B8 B11 B12 B10 35.6(5) 2_655 .
B10 B11 B12 B9 -37.0(5) . .
B9 B11 B12 B9 62.2(6) 2_655 .
B7 B11 B12 B9 99.6(5) . .
B8 B11 B12 B9 -1.4(6) 2_655 .
B10 B11 B12 B7 -136.6(5) . .
B9 B11 B12 B7 -37.4(4) 2_655 .
B8 B11 B12 B7 -101.0(5) 2_655 .
B10 B11 B12 B8 -99.3(5) . .
B9 B11 B12 B8 -0.2(6) 2_655 .
B7 B11 B12 B8 37.3(5) . .
B8 B11 B12 B8 -63.7(6) 2_655 .
B10 B7 B12 B10 61.9(6) 2_655 .
B9 B7 B12 B10 -0.7(6) 2_655 .
B8 B7 B12 B10 99.5(5) . .
B11 B7 B12 B10 -38.0(4) . .
B10 B7 B12 B9 0.3(7) 2_655 .
B9 B7 B12 B9 -62.4(6) 2_655 .
B8 B7 B12 B9 37.8(5) . .
B11 B7 B12 B9 -99.6(5) . .
B10 B7 B12 B11 99.9(5) 2_655 .
B9 B7 B12 B11 37.2(5) 2_655 .
B8 B7 B12 B11 137.4(5) . .
B10 B7 B12 B8 -37.5(5) 2_655 .
B9 B7 B12 B8 -100.2(5) 2_655 .
B11 B7 B12 B8 -137.4(5) . .
B10 B8 B12 B10 -61.8(6) 2_655 .
B7 B8 B12 B10 -99.5(5) . .
B9 B8 B12 B10 37.5(5) . .
B11 B8 B12 B10 1.5(6) 2_655 .
B10 B8 B12 B9 -99.3(6) 2_655 .
B7 B8 B12 B9 -136.9(5) . .
B11 B8 B12 B9 -36.0(5) 2_655 .
B10 B8 B12 B11 0.2(6) 2_655 .
B7 B8 B12 B11 -37.4(5) . .
B9 B8 B12 B11 99.5(5) . .
B11 B8 B12 B11 63.5(6) 2_655 .
B10 B8 B12 B7 37.7(5) 2_655 .
B9 B8 B12 B7 136.9(5) . .
B11 B8 B12 B7 100.9(6) 2_655 .
