#------------------------------------------------------------------------------
#$Date: 2016-03-25 09:53:29 +0100 (vie 25 de mar de 2016) $
#$Revision: 179768 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/64/7006468.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_7006468
loop_
_publ_author_name
'Cai, Shuyi'
'Lin, YueJian'
'Jin, Guo-Xin'
_publ_section_title
;
 Heterometallic cluster complexes (RhMo, RhW) containing bridging
 1,2-dicarba-closo-dodecaborane-1,2-dichalocogenolato ligands.
;
_journal_issue                   7
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              912
_journal_page_last               918
_journal_paper_doi               10.1039/b511096c
_journal_year                    2006
_chemical_formula_sum            'C16 H35 B20 Mo O2 Rh S4'
_chemical_formula_weight         802.73
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                95.758(3)
_cell_angle_beta                 101.716(4)
_cell_angle_gamma                91.477(4)
_cell_formula_units_Z            4
_cell_length_a                   14.009(3)
_cell_length_b                   14.741(3)
_cell_length_c                   17.820(4)
_cell_measurement_reflns_used    727
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      15.651
_cell_measurement_theta_min      2.385
_cell_volume                     3581.1(13)
_computing_cell_refinement       'Bruker Smart'
_computing_data_collection       'Bruker Smart'
_computing_data_reduction        'Bruker Saint'
_computing_molecular_graphics    'SHELXL-97 (Sheldrick, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0567
_diffrn_reflns_av_sigmaI/netI    0.2784
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            16653
_diffrn_reflns_theta_full        26.01
_diffrn_reflns_theta_max         26.01
_diffrn_reflns_theta_min         1.39
_diffrn_standards_decay_%        4.19
_exptl_absorpt_coefficient_mu    1.063
_exptl_absorpt_correction_T_max  0.9487
_exptl_absorpt_correction_T_min  0.9011
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    1.489
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1592
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.845
_refine_diff_density_min         -0.768
_refine_diff_density_rms         0.091
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.728
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     843
_refine_ls_number_reflns         13832
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      0.729
_refine_ls_R_factor_all          0.1896
_refine_ls_R_factor_gt           0.0599
_refine_ls_shift/su_max          0.865
_refine_ls_shift/su_mean         0.032
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0097P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0777
_refine_ls_wR_factor_ref         0.0999
_reflns_number_gt                4568
_reflns_number_total             13832
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b511096c.txt
_cod_data_source_block           f31204a
_cod_original_cell_volume        3581.3(13)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7006468
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
Mo1A Mo 0.41281(6) 0.12483(5) 0.29334(4) 0.0356(2) Uani 1 1 d . . .
Rh1A Rh 0.21313(6) 0.13059(5) 0.26417(4) 0.0496(3) Uani 1 1 d . . .
S1A S 0.31146(19) 0.24393(16) 0.22869(13) 0.0531(8) Uani 1 1 d . . .
S2A S 0.2957(2) 0.03731(17) 0.18376(14) 0.0608(8) Uani 1 1 d . . .
C1A C 0.3076(8) 0.2137(7) 0.1277(5) 0.056(3) Uani 1 1 d . . .
C2A C 0.2987(8) 0.1035(7) 0.1032(5) 0.064(3) Uani 1 1 d . . .
B3A B 0.4091(10) 0.1619(9) 0.1076(7) 0.071(4) Uani 1 1 d . . .
H3A H 0.4763 0.1559 0.1507 0.085 Uiso 1 1 calc R . .
B4A B 0.3765(11) 0.2684(10) 0.0753(7) 0.088(5) Uani 1 1 d . . .
H4A H 0.4228 0.3308 0.0967 0.105 Uiso 1 1 calc R . .
B5A B 0.2453(11) 0.2701(9) 0.0532(7) 0.082(5) Uani 1 1 d . . .
H5A H 0.2074 0.3338 0.0606 0.098 Uiso 1 1 calc R . .
B6A B 0.1982(10) 0.1661(10) 0.0750(7) 0.083(5) Uani 1 1 d . . .
H6A H 0.1306 0.1624 0.0971 0.099 Uiso 1 1 calc R . .
B7A B 0.3658(11) 0.0714(11) 0.0331(7) 0.088(5) Uani 1 1 d . . .
H7A H 0.4040 0.0076 0.0279 0.106 Uiso 1 1 calc R . .
B8A B 0.4114(13) 0.1774(11) 0.0110(8) 0.101(5) Uani 1 1 d . . .
H8A H 0.4796 0.1809 -0.0104 0.121 Uiso 1 1 calc R . .
B9A B 0.3079(14) 0.2467(13) -0.0209(7) 0.114(6) Uani 1 1 d . . .
H9A H 0.3104 0.2963 -0.0627 0.136 Uiso 1 1 calc R . .
B10A B 0.1994(13) 0.1832(11) -0.0232(8) 0.103(6) Uani 1 1 d . . .
H10A H 0.1323 0.1896 -0.0663 0.124 Uiso 1 1 calc R . .
B11A B 0.2322(12) 0.0754(11) 0.0119(7) 0.100(6) Uani 1 1 d . . .
H11A H 0.1858 0.0127 -0.0075 0.120 Uiso 1 1 calc R . .
B12A B 0.3022(14) 0.1270(11) -0.0475(8) 0.106(6) Uani 1 1 d . . .
H12A H 0.3007 0.0981 -0.1071 0.128 Uiso 1 1 calc R . .
S3A S 0.5466(2) 0.23237(17) 0.33550(15) 0.0679(9) Uani 1 1 d . . .
S4A S 0.5329(2) 0.01503(18) 0.28982(16) 0.0672(9) Uani 1 1 d . . .
C3A C 0.6600(8) 0.1766(7) 0.3392(5) 0.063(3) Uani 1 1 d . . .
C4A C 0.6521(8) 0.0669(6) 0.3187(5) 0.059(3) Uani 1 1 d . . .
B13A B 0.6910(10) 0.1086(8) 0.4130(7) 0.072(4) Uani 1 1 d . . .
H13A H 0.6494 0.0999 0.4581 0.087 Uiso 1 1 calc R . .
B14A B 0.7601(9) 0.2110(9) 0.4100(7) 0.073(4) Uani 1 1 d . . .
H14A H 0.7632 0.2694 0.4542 0.088 Uiso 1 1 calc R . .
B15A B 0.7577(9) 0.2279(9) 0.3134(7) 0.069(4) Uani 1 1 d . . .
H15A H 0.7585 0.2966 0.2944 0.082 Uiso 1 1 calc R . .
B16A B 0.6897(11) 0.1339(9) 0.2558(7) 0.076(4) Uani 1 1 d . . .
H16A H 0.6474 0.1418 0.1978 0.091 Uiso 1 1 calc R . .
B17A B 0.7491(11) 0.0181(10) 0.3727(7) 0.087(5) Uani 1 1 d . . .
H17A H 0.7461 -0.0503 0.3919 0.105 Uiso 1 1 calc R . .
B18A B 0.8198(10) 0.1108(9) 0.4301(8) 0.077(4) Uani 1 1 d . . .
H18A H 0.8639 0.1035 0.4875 0.092 Uiso 1 1 calc R . .
B19A B 0.8597(10) 0.1829(9) 0.3688(7) 0.076(4) Uani 1 1 d . . .
H19A H 0.9294 0.2232 0.3858 0.091 Uiso 1 1 calc R . .
B20A B 0.8189(11) 0.1337(11) 0.2742(9) 0.098(5) Uani 1 1 d . . .
H20A H 0.8617 0.1406 0.2295 0.117 Uiso 1 1 calc R . .
B21A B 0.7448(11) 0.0311(9) 0.2768(8) 0.080(5) Uani 1 1 d . . .
H21A H 0.7372 -0.0287 0.2335 0.096 Uiso 1 1 calc R . .
B22A B 0.8537(10) 0.0627(10) 0.3462(8) 0.085(5) Uani 1 1 d . . .
H22A H 0.9198 0.0235 0.3481 0.102 Uiso 1 1 calc R . .
C5A C 0.3700(10) 0.0289(10) 0.3410(7) 0.116(5) Uani 1 1 d . . .
O1A O 0.3448(7) -0.0315(6) 0.3769(5) 0.107(3) Uani 1 1 d . . .
C6A C 0.3761(9) 0.1922(8) 0.3747(7) 0.082(4) Uani 1 1 d U . .
O2A O 0.3601(6) 0.2379(5) 0.4337(4) 0.086(3) Uani 1 1 d U . .
C7A C 0.1006(8) 0.0451(7) 0.2939(7) 0.058(3) Uani 1 1 d . . .
C8A C 0.1351(8) 0.1117(8) 0.3571(6) 0.063(3) Uani 1 1 d . . .
C9A C 0.1171(7) 0.2013(7) 0.3325(6) 0.052(3) Uani 1 1 d . . .
C10A C 0.0679(7) 0.1839(7) 0.2519(6) 0.054(3) Uani 1 1 d . . .
C11A C 0.0576(7) 0.0875(7) 0.2283(6) 0.061(3) Uani 1 1 d . . .
C12A C 0.1007(8) -0.0575(6) 0.2981(5) 0.088(4) Uani 1 1 d . . .
H12E H 0.1571 -0.0718 0.3348 0.131 Uiso 1 1 calc R . .
H12C H 0.1024 -0.0882 0.2483 0.131 Uiso 1 1 calc R . .
H12D H 0.0427 -0.0774 0.3138 0.131 Uiso 1 1 calc R . .
C13A C 0.1693(7) 0.0958(6) 0.4393(5) 0.078(4) Uani 1 1 d . . .
H13E H 0.1142 0.0801 0.4607 0.116 Uiso 1 1 calc R . .
H13C H 0.2024 0.1503 0.4678 0.116 Uiso 1 1 calc R . .
H13D H 0.2132 0.0468 0.4424 0.116 Uiso 1 1 calc R . .
C14A C 0.1355(7) 0.2910(6) 0.3772(5) 0.068(3) Uani 1 1 d . . .
H14E H 0.0848 0.3021 0.4056 0.101 Uiso 1 1 calc R . .
H14C H 0.1362 0.3371 0.3429 0.101 Uiso 1 1 calc R . .
H14D H 0.1974 0.2927 0.4124 0.101 Uiso 1 1 calc R . .
C15A C 0.0300(7) 0.2616(6) 0.2060(5) 0.075(4) Uani 1 1 d . . .
H15E H 0.0467 0.2532 0.1562 0.113 Uiso 1 1 calc R . .
H15C H 0.0590 0.3186 0.2329 0.113 Uiso 1 1 calc R . .
H15D H -0.0397 0.2622 0.1999 0.113 Uiso 1 1 calc R . .
C16A C 0.0059(7) 0.0395(6) 0.1518(5) 0.080(4) Uani 1 1 d . . .
H16E H 0.0506 0.0021 0.1299 0.121 Uiso 1 1 calc R . .
H16C H -0.0182 0.0839 0.1176 0.121 Uiso 1 1 calc R . .
H16D H -0.0478 0.0019 0.1590 0.121 Uiso 1 1 calc R . .
Mo1B Mo 0.23406(6) 0.62289(5) 0.29003(4) 0.0385(2) Uani 1 1 d . . .
Rh1B Rh 0.41765(6) 0.63145(5) 0.25743(4) 0.0528(3) Uani 1 1 d . . .
S1B S 0.3069(2) 0.74773(17) 0.22983(14) 0.0586(8) Uani 1 1 d . . .
S2B S 0.2871(2) 0.54268(17) 0.17614(15) 0.0636(9) Uani 1 1 d . . .
C1B C 0.2535(8) 0.7232(6) 0.1278(5) 0.055(3) Uani 1 1 d . . .
C2B C 0.2417(8) 0.6140(7) 0.0987(6) 0.070(3) Uani 1 1 d . . .
B3B B 0.3305(11) 0.6775(9) 0.0699(7) 0.080(5) Uani 1 1 d . . .
H3B H 0.4095 0.6712 0.0892 0.096 Uiso 1 1 calc R . .
B4B B 0.2780(12) 0.7845(9) 0.0583(7) 0.085(5) Uani 1 1 d . . .
H4B H 0.3225 0.8489 0.0696 0.101 Uiso 1 1 calc R . .
B5B B 0.1595(10) 0.7791(10) 0.0793(7) 0.086(5) Uani 1 1 d . . .
H5B H 0.1287 0.8404 0.1036 0.103 Uiso 1 1 calc R . .
B6B B 0.1366(9) 0.6682(8) 0.1073(7) 0.068(4) Uani 1 1 d . . .
H6B H 0.0915 0.6564 0.1495 0.082 Uiso 1 1 calc R . .
B7B B 0.2598(12) 0.5931(11) 0.0054(7) 0.092(5) Uani 1 1 d . . .
H7B H 0.2926 0.5324 -0.0180 0.110 Uiso 1 1 calc R . .
B8B B 0.2822(13) 0.7021(11) -0.0242(8) 0.112(6) Uani 1 1 d . . .
H8B H 0.3275 0.7129 -0.0665 0.135 Uiso 1 1 calc R . .
B9B B 0.1718(13) 0.7624(11) -0.0161(7) 0.099(6) Uani 1 1 d . . .
H9B H 0.1468 0.8134 -0.0560 0.119 Uiso 1 1 calc R . .
B10B B 0.0867(12) 0.6934(10) 0.0140(7) 0.092(5) Uani 1 1 d . . .
H10B H 0.0075 0.6989 -0.0049 0.111 Uiso 1 1 calc R . .
B11B B 0.1419(11) 0.5868(10) 0.0282(8) 0.096(5) Uani 1 1 d . . .
H11B H 0.1000 0.5211 0.0191 0.115 Uiso 1 1 calc R . .
B12B B 0.1598(14) 0.6465(12) -0.0474(9) 0.122(7) Uani 1 1 d . . .
H12B H 0.1262 0.6209 -0.1073 0.147 Uiso 1 1 calc R . .
S3B S 0.1039(2) 0.51245(19) 0.27758(17) 0.0753(9) Uani 1 1 d . . .
S4B S 0.1303(2) 0.72551(18) 0.34016(16) 0.0695(9) Uani 1 1 d . . .
C3B C 0.0036(8) 0.5619(7) 0.3100(6) 0.071(3) Uani 1 1 d . . .
C4B C 0.0180(8) 0.6693(6) 0.3414(6) 0.060(3) Uani 1 1 d . . .
B13B B 0.0176(10) 0.5932(8) 0.4086(7) 0.069(4) Uani 1 1 d . . .
H13B H 0.0817 0.5802 0.4526 0.082 Uiso 1 1 calc R . .
B14B B -0.0679(11) 0.5045(9) 0.3596(9) 0.095(5) Uani 1 1 d . . .
H14B H -0.0589 0.4329 0.3708 0.114 Uiso 1 1 calc R . .
B15B B -0.1155(10) 0.5322(10) 0.2654(9) 0.091(5) Uani 1 1 d . . .
H15B H -0.1367 0.4790 0.2164 0.110 Uiso 1 1 calc R . .
B16B B -0.0604(12) 0.6409(9) 0.2539(8) 0.097(6) Uani 1 1 d . . .
H16B H -0.0470 0.6590 0.1984 0.116 Uiso 1 1 calc R . .
B17B B -0.0451(10) 0.6956(9) 0.4147(8) 0.078(4) Uani 1 1 d . . .
H17B H -0.0216 0.7503 0.4622 0.093 Uiso 1 1 calc R . .
B18B B -0.1008(11) 0.5894(9) 0.4286(8) 0.092(5) Uani 1 1 d . . .
H18B H -0.1141 0.5737 0.4848 0.111 Uiso 1 1 calc R . .
B19B B -0.1845(10) 0.5511(10) 0.3403(8) 0.089(5) Uani 1 1 d . . .
H19B H -0.2519 0.5109 0.3400 0.107 Uiso 1 1 calc R . .
B20B B -0.1811(11) 0.6340(11) 0.2738(9) 0.091(5) Uani 1 1 d . . .
H20B H -0.2467 0.6464 0.2311 0.110 Uiso 1 1 calc R . .
B21B B -0.0918(10) 0.7232(10) 0.3211(8) 0.079(4) Uani 1 1 d . . .
H21B H -0.0985 0.7945 0.3085 0.095 Uiso 1 1 calc R . .
B22B B -0.1666(10) 0.6697(9) 0.3747(8) 0.079(4) Uani 1 1 d . . .
H22B H -0.2235 0.7072 0.3972 0.094 Uiso 1 1 calc R . .
C5B C 0.3035(8) 0.5221(8) 0.3330(7) 0.077(4) Uani 1 1 d . . .
O1B O 0.3387(6) 0.4593(5) 0.3646(4) 0.092(3) Uani 1 1 d . . .
C6B C 0.3167(9) 0.6862(9) 0.3760(8) 0.096(5) Uani 1 1 d . . .
O2B O 0.3691(6) 0.7258(6) 0.4345(4) 0.102(3) Uani 1 1 d . . .
C7B C 0.5428(8) 0.5448(7) 0.2781(7) 0.064(3) Uani 1 1 d . . .
C8B C 0.5517(8) 0.5939(8) 0.2159(7) 0.064(3) Uani 1 1 d . . .
C9B C 0.5594(7) 0.6910(7) 0.2467(6) 0.057(3) Uani 1 1 d . . .
C10B C 0.5521(7) 0.6978(7) 0.3249(6) 0.054(3) Uani 1 1 d . . .
C11B C 0.5430(7) 0.6079(7) 0.3481(6) 0.066(3) Uani 1 1 d . . .
C12B C 0.5343(8) 0.4423(6) 0.2756(6) 0.095(4) Uani 1 1 d . . .
H12H H 0.4947 0.4172 0.2271 0.143 Uiso 1 1 calc R . .
H12F H 0.5046 0.4262 0.3168 0.143 Uiso 1 1 calc R . .
H12G H 0.5980 0.4182 0.2813 0.143 Uiso 1 1 calc R . .
C13B C 0.5617(8) 0.5530(6) 0.1372(6) 0.094(4) Uani 1 1 d . . .
H13H H 0.6256 0.5297 0.1402 0.142 Uiso 1 1 calc R . .
H13F H 0.5527 0.5991 0.1023 0.142 Uiso 1 1 calc R . .
H13G H 0.5133 0.5042 0.1190 0.142 Uiso 1 1 calc R . .
C14B C 0.5756(7) 0.7683(6) 0.2026(5) 0.073(3) Uani 1 1 d . . .
H14H H 0.5377 0.8183 0.2162 0.109 Uiso 1 1 calc R . .
H14F H 0.5562 0.7492 0.1484 0.109 Uiso 1 1 calc R . .
H14G H 0.6436 0.7873 0.2148 0.109 Uiso 1 1 calc R . .
C15B C 0.5665(7) 0.7842(6) 0.3774(5) 0.071(3) Uani 1 1 d . . .
H15H H 0.5564 0.8351 0.3475 0.106 Uiso 1 1 calc R . .
H15F H 0.6317 0.7888 0.4078 0.106 Uiso 1 1 calc R . .
H15G H 0.5207 0.7845 0.4108 0.106 Uiso 1 1 calc R . .
C16B C 0.5527(7) 0.5819(6) 0.4276(5) 0.085(4) Uani 1 1 d . . .
H16H H 0.6204 0.5852 0.4526 0.127 Uiso 1 1 calc R . .
H16F H 0.5263 0.5207 0.4255 0.127 Uiso 1 1 calc R . .
H16G H 0.5176 0.6230 0.4561 0.127 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 '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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C6A Mo1A C5A 81.3(5) . . ?
C6A Mo1A S4A 131.4(3) . . ?
C5A Mo1A S4A 75.7(4) . . ?
C6A Mo1A S3A 78.2(4) . . ?
C5A Mo1A S3A 130.8(4) . . ?
S4A Mo1A S3A 85.43(10) . . ?
C6A Mo1A S2A 124.1(4) . . ?
C5A Mo1A S2A 78.3(4) . . ?
S4A Mo1A S2A 92.34(9) . . ?
S3A Mo1A S2A 148.49(10) . . ?
C6A Mo1A S1A 77.2(3) . . ?
C5A Mo1A S1A 127.4(4) . . ?
S4A Mo1A S1A 148.94(10) . . ?
S3A Mo1A S1A 90.62(9) . . ?
S2A Mo1A S1A 75.33(9) . . ?
C6A Mo1A Rh1A 70.9(4) . . ?
C5A Mo1A Rh1A 74.7(4) . . ?
S4A Mo1A Rh1A 138.52(7) . . ?
S3A Mo1A Rh1A 136.06(8) . . ?
S2A Mo1A Rh1A 53.60(7) . . ?
S1A Mo1A Rh1A 52.98(6) . . ?
C7A Rh1A C10A 63.0(4) . . ?
C7A Rh1A C9A 64.2(4) . . ?
C10A Rh1A C9A 38.8(3) . . ?
C7A Rh1A C8A 37.7(3) . . ?
C10A Rh1A C8A 63.3(4) . . ?
C9A Rh1A C8A 38.3(3) . . ?
C7A Rh1A C11A 37.7(3) . . ?
C10A Rh1A C11A 38.3(3) . . ?
C9A Rh1A C11A 65.2(4) . . ?
C8A Rh1A C11A 63.6(4) . . ?
C7A Rh1A S1A 168.9(3) . . ?
C10A Rh1A S1A 105.9(3) . . ?
C9A Rh1A S1A 107.0(3) . . ?
C8A Rh1A S1A 138.3(3) . . ?
C11A Rh1A S1A 133.7(3) . . ?
C7A Rh1A S2A 107.6(3) . . ?
C10A Rh1A S2A 135.3(3) . . ?
C9A Rh1A S2A 171.0(3) . . ?
C8A Rh1A S2A 136.8(3) . . ?
C11A Rh1A S2A 106.1(3) . . ?
S1A Rh1A S2A 80.70(10) . . ?
C7A Rh1A Mo1A 132.2(3) . . ?
C10A Rh1A Mo1A 160.6(3) . . ?
C9A Rh1A Mo1A 130.0(3) . . ?
C8A Rh1A Mo1A 119.3(3) . . ?
C11A Rh1A Mo1A 161.0(3) . . ?
S1A Rh1A Mo1A 58.37(7) . . ?
S2A Rh1A Mo1A 57.94(7) . . ?
C1A S1A Rh1A 105.2(3) . . ?
C1A S1A Mo1A 104.0(3) . . ?
Rh1A S1A Mo1A 68.65(7) . . ?
C2A S2A Rh1A 103.8(4) . . ?
C2A S2A Mo1A 103.5(3) . . ?
Rh1A S2A Mo1A 68.46(7) . . ?
C2A C1A B4A 111.6(9) . . ?
C2A C1A B3A 62.3(6) . . ?
B4A C1A B3A 61.9(7) . . ?
C2A C1A B6A 61.7(6) . . ?
B4A C1A B6A 114.4(8) . . ?
B3A C1A B6A 115.0(9) . . ?
C2A C1A B5A 110.4(8) . . ?
B4A C1A B5A 63.0(7) . . ?
B3A C1A B5A 113.7(8) . . ?
B6A C1A B5A 61.4(7) . . ?
C2A C1A S1A 113.0(6) . . ?
B4A C1A S1A 124.1(7) . . ?
B3A C1A S1A 114.6(7) . . ?
B6A C1A S1A 115.5(8) . . ?
B5A C1A S1A 125.6(8) . . ?
C1A C2A B11A 112.2(9) . . ?
C1A C2A B3A 61.1(6) . . ?
B11A C2A B3A 114.3(8) . . ?
C1A C2A B6A 61.5(7) . . ?
B11A C2A B6A 63.3(8) . . ?
B3A C2A B6A 113.9(9) . . ?
C1A C2A B7A 111.9(9) . . ?
B11A C2A B7A 64.3(7) . . ?
B3A C2A B7A 61.7(7) . . ?
B6A C2A B7A 116.6(9) . . ?
C1A C2A S2A 113.3(6) . . ?
B11A C2A S2A 124.4(8) . . ?
B3A C2A S2A 114.7(7) . . ?
B6A C2A S2A 116.0(8) . . ?
B7A C2A S2A 122.0(9) . . ?
C1A B3A C2A 56.6(6) . . ?
C1A B3A B4A 59.0(7) . . ?
C2A B3A B4A 104.7(10) . . ?
C1A B3A B8A 106.5(9) . . ?
C2A B3A B8A 104.9(9) . . ?
B4A B3A B8A 62.0(8) . . ?
C1A B3A B7A 106.3(9) . . ?
C2A B3A B7A 59.5(7) . . ?
B4A B3A B7A 110.6(10) . . ?
B8A B3A B7A 60.3(7) . . ?
C1A B3A H3A 123.9 . . ?
C2A B3A H3A 125.2 . . ?
B4A B3A H3A 120.9 . . ?
B8A B3A H3A 122.0 . . ?
B7A B3A H3A 120.7 . . ?
C1A B4A B3A 59.1(6) . . ?
C1A B4A B9A 103.4(9) . . ?
B3A B4A B9A 107.4(10) . . ?
C1A B4A B5A 59.0(7) . . ?
B3A B4A B5A 108.2(9) . . ?
B9A B4A B5A 58.1(8) . . ?
C1A B4A B8A 104.3(9) . . ?
B3A B4A B8A 59.0(8) . . ?
B9A B4A B8A 60.9(8) . . ?
B5A B4A B8A 107.5(10) . . ?
C1A B4A H4A 124.9 . . ?
B3A B4A H4A 121.6 . . ?
B9A B4A H4A 123.2 . . ?
B5A B4A H4A 121.9 . . ?
B8A B4A H4A 122.5 . . ?
C1A B5A B9A 104.2(11) . . ?
C1A B5A B6A 58.8(6) . . ?
B9A B5A B6A 108.4(11) . . ?
C1A B5A B10A 105.4(10) . . ?
B9A B5A B10A 59.9(8) . . ?
B6A B5A B10A 60.9(8) . . ?
C1A B5A B4A 57.9(6) . . ?
B9A B5A B4A 60.3(9) . . ?
B6A B5A B4A 108.0(10) . . ?
B10A B5A B4A 108.5(11) . . ?
C1A B5A H5A 125.1 . . ?
B9A B5A H5A 122.4 . . ?
B6A B5A H5A 121.0 . . ?
B10A B5A H5A 121.7 . . ?
B4A B5A H5A 121.6 . . ?
C1A B6A C2A 56.8(6) . . ?
C1A B6A B5A 59.7(7) . . ?
C2A B6A B5A 105.2(10) . . ?
C1A B6A B11A 104.2(10) . . ?
C2A B6A B11A 58.0(7) . . ?
B5A B6A B11A 108.2(11) . . ?
C1A B6A B10A 105.3(10) . . ?
C2A B6A B10A 104.5(10) . . ?
B5A B6A B10A 60.0(8) . . ?
B11A B6A B10A 60.2(8) . . ?
C1A B6A H6A 124.3 . . ?
C2A B6A H6A 124.9 . . ?
B5A B6A H6A 121.5 . . ?
B11A B6A H6A 122.4 . . ?
B10A B6A H6A 122.8 . . ?
C2A B7A B3A 58.9(6) . . ?
C2A B7A B8A 103.7(10) . . ?
B3A B7A B8A 59.3(8) . . ?
C2A B7A B12A 101.3(11) . . ?
B3A B7A B12A 104.9(11) . . ?
B8A B7A B12A 58.8(8) . . ?
C2A B7A B11A 56.8(7) . . ?
B3A B7A B11A 106.0(10) . . ?
B8A B7A B11A 106.3(11) . . ?
B12A B7A B11A 58.8(8) . . ?
C2A B7A H7A 125.9 . . ?
B3A B7A H7A 122.5 . . ?
B8A B7A H7A 122.9 . . ?
B12A B7A H7A 124.7 . . ?
B11A B7A H7A 122.9 . . ?
B12A B8A B3A 107.8(11) . . ?
B12A B8A B7A 61.5(8) . . ?
B3A B8A B7A 60.4(7) . . ?
B12A B8A B4A 106.7(12) . . ?
B3A B8A B4A 59.0(7) . . ?
B7A B8A B4A 108.3(10) . . ?
B12A B8A B9A 59.3(9) . . ?
B3A B8A B9A 105.5(10) . . ?
B7A B8A B9A 108.4(12) . . ?
B4A B8A B9A 58.5(8) . . ?
B12A B8A H8A 121.7 . . ?
B3A B8A H8A 122.7 . . ?
B7A B8A H8A 120.4 . . ?
B4A B8A H8A 122.7 . . ?
B9A B8A H8A 123.1 . . ?
B10A B9A B5A 61.1(9) . . ?
B10A B9A B12A 60.8(9) . . ?
B5A B9A B12A 109.2(11) . . ?
B10A B9A B4A 110.5(9) . . ?
B5A B9A B4A 61.5(7) . . ?
B12A B9A B4A 107.9(11) . . ?
B10A B9A B8A 108.9(13) . . ?
B5A B9A B8A 109.9(10) . . ?
B12A B9A B8A 58.7(10) . . ?
B4A B9A B8A 60.6(8) . . ?
B10A B9A H9A 120.3 . . ?
B5A B9A H9A 120.1 . . ?
B12A B9A H9A 122.2 . . ?
B4A B9A H9A 120.6 . . ?
B8A B9A H9A 121.5 . . ?
B9A B10A B5A 59.0(8) . . ?
B9A B10A B12A 60.2(10) . . ?
B5A B10A B12A 107.0(12) . . ?
B9A B10A B11A 107.7(13) . . ?
B5A B10A B11A 107.3(9) . . ?
B12A B10A B11A 59.9(9) . . ?
B9A B10A B6A 106.2(10) . . ?
B5A B10A B6A 59.1(7) . . ?
B12A B10A B6A 107.1(11) . . ?
B11A B10A B6A 60.0(7) . . ?
B9A B10A H10A 122.4 . . ?
B5A B10A H10A 122.6 . . ?
B12A B10A H10A 122.0 . . ?
B11A B10A H10A 121.7 . . ?
B6A B10A H10A 122.7 . . ?
C2A B11A B12A 103.7(10) . . ?
C2A B11A B10A 104.7(10) . . ?
B12A B11A B10A 59.6(8) . . ?
C2A B11A B6A 58.7(6) . . ?
B12A B11A B6A 106.8(11) . . ?
B10A B11A B6A 59.8(8) . . ?
C2A B11A B7A 58.9(7) . . ?
B12A B11A B7A 59.9(9) . . ?
B10A B11A B7A 108.7(11) . . ?
B6A B11A B7A 108.4(9) . . ?
C2A B11A H11A 125.0 . . ?
B12A B11A H11A 123.3 . . ?
B10A B11A H11A 122.1 . . ?
B6A B11A H11A 121.7 . . ?
B7A B11A H11A 120.9 . . ?
B8A B12A B9A 62.0(9) . . ?
B8A B12A B10A 110.2(11) . . ?
B9A B12A B10A 59.1(9) . . ?
B8A B12A B11A 109.1(10) . . ?
B9A B12A B11A 107.3(12) . . ?
B10A B12A B11A 60.5(9) . . ?
B8A B12A B7A 59.7(8) . . ?
B9A B12A B7A 109.2(10) . . ?
B10A B12A B7A 110.4(10) . . ?
B11A B12A B7A 61.3(7) . . ?
B8A B12A H12A 120.4 . . ?
B9A B12A H12A 121.8 . . ?
B10A B12A H12A 120.6 . . ?
B11A B12A H12A 121.6 . . ?
B7A B12A H12A 120.5 . . ?
C3A S3A Mo1A 110.3(3) . . ?
C4A S4A Mo1A 111.0(4) . . ?
C4A C3A B16A 62.4(7) . . ?
C4A C3A B15A 113.4(9) . . ?
B16A C3A B15A 62.7(7) . . ?
C4A C3A B14A 111.6(8) . . ?
B16A C3A B14A 112.8(10) . . ?
B15A C3A B14A 61.8(7) . . ?
C4A C3A B13A 61.2(6) . . ?
B16A C3A B13A 113.7(9) . . ?
B15A C3A B13A 114.2(9) . . ?
B14A C3A B13A 62.5(6) . . ?
C4A C3A S3A 116.4(7) . . ?
B16A C3A S3A 118.9(8) . . ?
B15A C3A S3A 121.5(8) . . ?
B14A C3A S3A 120.9(8) . . ?
B13A C3A S3A 115.5(8) . . ?
C3A C4A B21A 110.9(8) . . ?
C3A C4A B17A 110.4(8) . . ?
B21A C4A B17A 60.8(8) . . ?
C3A C4A B13A 62.5(6) . . ?
B21A C4A B13A 112.6(9) . . ?
B17A C4A B13A 61.5(7) . . ?
C3A C4A B16A 60.9(6) . . ?
B21A C4A B16A 62.0(7) . . ?
B17A C4A B16A 111.3(10) . . ?
B13A C4A B16A 113.5(8) . . ?
C3A C4A S4A 116.7(8) . . ?
B21A C4A S4A 121.7(8) . . ?
B17A C4A S4A 124.2(8) . . ?
B13A C4A S4A 118.0(8) . . ?
B16A C4A S4A 116.7(7) . . ?
C4A B13A C3A 56.3(5) . . ?
C4A B13A B17A 59.6(7) . . ?
C3A B13A B17A 104.1(9) . . ?
C4A B13A B18A 105.7(10) . . ?
C3A B13A B18A 103.6(9) . . ?
B17A B13A B18A 60.4(8) . . ?
C4A B13A B14A 104.4(8) . . ?
C3A B13A B14A 58.4(6) . . ?
B17A B13A B14A 107.4(11) . . ?
B18A B13A B14A 59.0(7) . . ?
C4A B13A H13A 124.0 . . ?
C3A B13A H13A 125.5 . . ?
B17A B13A H13A 121.9 . . ?
B18A B13A H13A 123.1 . . ?
B14A B13A H13A 122.8 . . ?
C3A B14A B19A 104.8(9) . . ?
C3A B14A B18A 104.9(8) . . ?
B19A B14A B18A 60.4(8) . . ?
C3A B14A B15A 59.1(6) . . ?
B19A B14A B15A 60.0(8) . . ?
B18A B14A B15A 108.8(10) . . ?
C3A B14A B13A 59.1(6) . . ?
B19A B14A B13A 108.6(10) . . ?
B18A B14A B13A 60.0(7) . . ?
B15A B14A B13A 109.2(8) . . ?
C3A B14A H14A 124.7 . . ?
B19A B14A H14A 122.3 . . ?
B18A B14A H14A 122.1 . . ?
B15A B14A H14A 120.8 . . ?
B13A B14A H14A 120.9 . . ?
C3A B15A B19A 104.5(9) . . ?
C3A B15A B14A 59.2(7) . . ?
B19A B15A B14A 59.6(7) . . ?
C3A B15A B16A 58.1(6) . . ?
B19A B15A B16A 106.2(10) . . ?
B14A B15A B16A 107.0(9) . . ?
C3A B15A B20A 103.9(9) . . ?
B19A B15A B20A 58.7(8) . . ?
B14A B15A B20A 106.4(9) . . ?
B16A B15A B20A 59.4(7) . . ?
C3A B15A H15A 124.6 . . ?
B19A B15A H15A 123.2 . . ?
B14A B15A H15A 121.9 . . ?
B16A B15A H15A 122.5 . . ?
B20A B15A H15A 123.5 . . ?
C3A B16A C4A 56.7(6) . . ?
C3A B16A B21A 104.5(9) . . ?
C4A B16A B21A 58.4(7) . . ?
C3A B16A B20A 106.2(9) . . ?
C4A B16A B20A 106.9(10) . . ?
B21A B16A B20A 62.2(8) . . ?
C3A B16A B15A 59.2(6) . . ?
C4A B16A B15A 106.0(8) . . ?
B21A B16A B15A 110.7(10) . . ?
B20A B16A B15A 61.3(8) . . ?
C3A B16A H16A 124.9 . . ?
C4A B16A H16A 124.3 . . ?
B21A B16A H16A 121.2 . . ?
B20A B16A H16A 121.0 . . ?
B15A B16A H16A 120.6 . . ?
C4A B17A B21A 58.9(7) . . ?
C4A B17A B13A 58.9(7) . . ?
B21A B17A B13A 108.8(9) . . ?
C4A B17A B22A 105.6(10) . . ?
B21A B17A B22A 61.2(8) . . ?
B13A B17A B22A 108.3(11) . . ?
C4A B17A B18A 105.0(10) . . ?
B21A B17A B18A 108.7(11) . . ?
B13A B17A B18A 60.3(8) . . ?
B22A B17A B18A 59.4(8) . . ?
C4A B17A H17A 124.5 . . ?
B21A B17A H17A 120.6 . . ?
B13A B17A H17A 121.2 . . ?
B22A B17A H17A 121.9 . . ?
B18A B17A H17A 122.4 . . ?
B14A B18A B22A 108.4(10) . . ?
B14A B18A B19A 59.7(7) . . ?
B22A B18A B19A 60.8(8) . . ?
B14A B18A B17A 108.1(9) . . ?
B22A B18A B17A 60.0(7) . . ?
B19A B18A B17A 108.5(10) . . ?
B14A B18A B13A 61.0(7) . . ?
B22A B18A B13A 108.0(9) . . ?
B19A B18A B13A 108.7(9) . . ?
B17A B18A B13A 59.3(7) . . ?
B14A B18A H18A 121.5 . . ?
B22A B18A H18A 121.4 . . ?
B19A B18A H18A 121.2 . . ?
B17A B18A H18A 121.9 . . ?
B13A B18A H18A 121.5 . . ?
B20A B19A B14A 109.8(10) . . ?
B20A B19A B15A 62.2(8) . . ?
B14A B19A B15A 60.4(8) . . ?
B20A B19A B22A 59.2(8) . . ?
B14A B19A B22A 107.5(10) . . ?
B15A B19A B22A 108.8(10) . . ?
B20A B19A B18A 107.9(10) . . ?
B14A B19A B18A 59.9(8) . . ?
B15A B19A B18A 108.7(10) . . ?
B22A B19A B18A 59.4(8) . . ?
B20A B19A H19A 120.7 . . ?
B14A B19A H19A 121.4 . . ?
B15A B19A H19A 120.4 . . ?
B22A B19A H19A 122.4 . . ?
B18A B19A H19A 122.1 . . ?
B19A B20A B22A 61.3(8) . . ?
B19A B20A B16A 106.4(11) . . ?
B22A B20A B16A 106.7(10) . . ?
B19A B20A B15A 59.1(8) . . ?
B22A B20A B15A 107.9(11) . . ?
B16A B20A B15A 59.3(8) . . ?
B19A B20A B21A 107.7(10) . . ?
B22A B20A B21A 59.8(8) . . ?
B16A B20A B21A 58.5(7) . . ?
B15A B20A B21A 106.2(10) . . ?
B19A B20A H20A 121.8 . . ?
B22A B20A H20A 121.4 . . ?
B16A B20A H20A 123.2 . . ?
B15A B20A H20A 122.5 . . ?
B21A B20A H20A 122.7 . . ?
C4A B21A B17A 60.3(7) . . ?
C4A B21A B16A 59.6(7) . . ?
B17A B21A B16A 108.8(10) . . ?
C4A B21A B22A 105.9(10) . . ?
B17A B21A B22A 60.3(8) . . ?
B16A B21A B22A 105.7(10) . . ?
C4A B21A B20A 105.6(10) . . ?
B17A B21A B20A 107.1(10) . . ?
B16A B21A B20A 59.3(8) . . ?
B22A B21A B20A 57.7(8) . . ?
C4A B21A H21A 122.9 . . ?
B17A B21A H21A 120.8 . . ?
B16A B21A H21A 122.0 . . ?
B22A B21A H21A 123.5 . . ?
B20A B21A H21A 123.5 . . ?
B20A B22A B19A 59.5(8) . . ?
B20A B22A B18A 108.5(12) . . ?
B19A B22A B18A 59.8(8) . . ?
B20A B22A B17A 109.4(10) . . ?
B19A B22A B17A 108.2(11) . . ?
B18A B22A B17A 60.6(8) . . ?
B20A B22A B21A 62.5(8) . . ?
B19A B22A B21A 108.5(10) . . ?
B18A B22A B21A 107.4(11) . . ?
B17A B22A B21A 58.5(7) . . ?
B20A B22A H22A 120.4 . . ?
B19A B22A H22A 121.9 . . ?
B18A B22A H22A 121.9 . . ?
B17A B22A H22A 121.6 . . ?
B21A B22A H22A 121.6 . . ?
O1A C5A Mo1A 175.9(12) . . ?
Mo1A C6A O2A 174.1(10) . . ?
C8A C7A C11A 110.1(9) . . ?
C8A C7A C12A 124.8(10) . . ?
C11A C7A C12A 124.8(10) . . ?
C8A C7A Rh1A 72.0(6) . . ?
C11A C7A Rh1A 72.1(6) . . ?
C12A C7A Rh1A 127.1(7) . . ?
C7A C8A C9A 109.1(9) . . ?
C7A C8A C13A 127.0(10) . . ?
C9A C8A C13A 123.1(10) . . ?
C7A C8A Rh1A 70.3(6) . . ?
C9A C8A Rh1A 71.2(6) . . ?
C13A C8A Rh1A 132.4(7) . . ?
C8A C9A C10A 104.6(9) . . ?
C8A C9A C14A 129.7(9) . . ?
C10A C9A C14A 125.5(9) . . ?
C8A C9A Rh1A 70.5(6) . . ?
C10A C9A Rh1A 69.6(5) . . ?
C14A C9A Rh1A 127.2(7) . . ?
C11A C10A C9A 110.3(9) . . ?
C11A C10A C15A 128.6(9) . . ?
C9A C10A C15A 121.0(9) . . ?
C11A C10A Rh1A 71.7(6) . . ?
C9A C10A Rh1A 71.6(5) . . ?
C15A C10A Rh1A 126.3(7) . . ?
C7A C11A C10A 105.8(9) . . ?
C7A C11A C16A 126.1(10) . . ?
C10A C11A C16A 127.9(9) . . ?
C7A C11A Rh1A 70.1(6) . . ?
C10A C11A Rh1A 70.0(6) . . ?
C16A C11A Rh1A 127.6(7) . . ?
C7A C12A H12E 109.5 . . ?
C7A C12A H12C 109.5 . . ?
H12E C12A H12C 109.5 . . ?
C7A C12A H12D 109.5 . . ?
H12E C12A H12D 109.5 . . ?
H12C C12A H12D 109.5 . . ?
C8A C13A H13E 109.5 . . ?
C8A C13A H13C 109.5 . . ?
H13E C13A H13C 109.5 . . ?
C8A C13A H13D 109.5 . . ?
H13E C13A H13D 109.5 . . ?
H13C C13A H13D 109.5 . . ?
C9A C14A H14E 109.5 . . ?
C9A C14A H14C 109.5 . . ?
H14E C14A H14C 109.5 . . ?
C9A C14A H14D 109.5 . . ?
H14E C14A H14D 109.5 . . ?
H14C C14A H14D 109.5 . . ?
C10A C15A H15E 109.5 . . ?
C10A C15A H15C 109.5 . . ?
H15E C15A H15C 109.5 . . ?
C10A C15A H15D 109.5 . . ?
H15E C15A H15D 109.5 . . ?
H15C C15A H15D 109.5 . . ?
C11A C16A H16E 109.4 . . ?
C11A C16A H16C 109.5 . . ?
H16E C16A H16C 109.5 . . ?
C11A C16A H16D 109.5 . . ?
H16E C16A H16D 109.5 . . ?
H16C C16A H16D 109.5 . . ?
C6B Mo1B C5B 80.3(5) . . ?
C6B Mo1B S4B 76.7(4) . . ?
C5B Mo1B S4B 131.2(4) . . ?
C6B Mo1B S3B 132.3(3) . . ?
C5B Mo1B S3B 79.1(3) . . ?
S4B Mo1B S3B 85.45(11) . . ?
C6B Mo1B S2B 125.6(4) . . ?
C5B Mo1B S2B 77.4(4) . . ?
S4B Mo1B S2B 149.38(10) . . ?
S3B Mo1B S2B 90.78(10) . . ?
C6B Mo1B S1B 78.6(3) . . ?
C5B Mo1B S1B 125.4(4) . . ?
S4B Mo1B S1B 91.28(9) . . ?
S3B Mo1B S1B 146.47(10) . . ?
S2B Mo1B S1B 75.38(9) . . ?
C6B Mo1B Rh1B 72.9(4) . . ?
C5B Mo1B Rh1B 72.7(3) . . ?
S4B Mo1B Rh1B 136.65(7) . . ?
S3B Mo1B Rh1B 137.86(8) . . ?
S2B Mo1B Rh1B 53.18(7) . . ?
S1B Mo1B Rh1B 53.08(7) . . ?
C10B Rh1B C7B 64.2(4) . . ?
C10B Rh1B C11B 38.5(3) . . ?
C7B Rh1B C11B 39.4(3) . . ?
C10B Rh1B C9B 37.7(3) . . ?
C7B Rh1B C9B 63.1(4) . . ?
C11B Rh1B C9B 64.0(4) . . ?
C10B Rh1B C8B 64.8(4) . . ?
C7B Rh1B C8B 37.3(3) . . ?
C11B Rh1B C8B 65.1(4) . . ?
C9B Rh1B C8B 39.0(3) . . ?
C10B Rh1B S2B 171.0(3) . . ?
C7B Rh1B S2B 107.5(3) . . ?
C11B Rh1B S2B 136.8(3) . . ?
C9B Rh1B S2B 136.6(3) . . ?
C8B Rh1B S2B 106.7(3) . . ?
C10B Rh1B S1B 106.7(3) . . ?
C7B Rh1B S1B 167.8(3) . . ?
C11B Rh1B S1B 137.5(3) . . ?
C9B Rh1B S1B 104.7(3) . . ?
C8B Rh1B S1B 132.6(3) . . ?
S2B Rh1B S1B 80.92(10) . . ?
C10B Rh1B Mo1B 130.0(3) . . ?
C7B Rh1B Mo1B 133.5(3) . . ?
C11B Rh1B Mo1B 118.5(3) . . ?
C9B Rh1B Mo1B 158.9(3) . . ?
C8B Rh1B Mo1B 162.1(3) . . ?
S2B Rh1B Mo1B 57.92(8) . . ?
S1B Rh1B Mo1B 58.31(7) . . ?
C1B S1B Rh1B 104.9(3) . . ?
C1B S1B Mo1B 103.6(3) . . ?
Rh1B S1B Mo1B 68.61(7) . . ?
C2B S2B Rh1B 104.5(4) . . ?
C2B S2B Mo1B 103.1(4) . . ?
Rh1B S2B Mo1B 68.90(7) . . ?
C2B C1B B5B 110.6(8) . . ?
C2B C1B B4B 111.5(8) . . ?
B5B C1B B4B 63.1(7) . . ?
C2B C1B B3B 61.5(6) . . ?
B5B C1B B3B 113.7(8) . . ?
B4B C1B B3B 62.2(7) . . ?
C2B C1B B6B 60.8(6) . . ?
B5B C1B B6B 62.5(7) . . ?
B4B C1B B6B 114.9(8) . . ?
B3B C1B B6B 113.5(8) . . ?
C2B C1B S1B 113.1(6) . . ?
B5B C1B S1B 124.8(8) . . ?
B4B C1B S1B 124.7(8) . . ?
B3B C1B S1B 116.1(7) . . ?
B6B C1B S1B 114.6(7) . . ?
C1B C2B B11B 112.5(9) . . ?
C1B C2B B6B 63.3(7) . . ?
B11B C2B B6B 62.7(8) . . ?
C1B C2B B3B 62.3(7) . . ?
B11B C2B B3B 113.3(9) . . ?
B6B C2B B3B 116.3(9) . . ?
C1B C2B B7B 110.9(9) . . ?
B11B C2B B7B 62.8(7) . . ?
B6B C2B B7B 115.0(8) . . ?
B3B C2B B7B 60.5(8) . . ?
C1B C2B S2B 113.1(6) . . ?
B11B C2B S2B 124.4(8) . . ?
B6B C2B S2B 114.7(8) . . ?
B3B C2B S2B 115.2(8) . . ?
B7B C2B S2B 124.1(9) . . ?
C2B B3B C1B 56.2(7) . . ?
C2B B3B B8B 107.2(10) . . ?
C1B B3B B8B 106.8(10) . . ?
C2B B3B B7B 59.9(8) . . ?
C1B B3B B7B 105.5(10) . . ?
B8B B3B B7B 61.2(7) . . ?
C2B B3B B4B 103.4(10) . . ?
C1B B3B B4B 57.4(7) . . ?
B8B B3B B4B 62.3(8) . . ?
B7B B3B B4B 109.7(10) . . ?
C2B B3B H3B 124.7 . . ?
C1B B3B H3B 124.9 . . ?
B8B B3B H3B 120.4 . . ?
B7B B3B H3B 120.8 . . ?
B4B B3B H3B 122.2 . . ?
C1B B4B B3B 60.4(6) . . ?
C1B B4B B5B 58.8(7) . . ?
B3B B4B B5B 108.7(10) . . ?
C1B B4B B9B 102.9(11) . . ?
B3B B4B B9B 105.7(10) . . ?
B5B B4B B9B 58.5(9) . . ?
C1B B4B B8B 106.0(9) . . ?
B3B B4B B8B 58.4(7) . . ?
B5B B4B B8B 109.3(11) . . ?
B9B B4B B8B 61.0(8) . . ?
C1B B4B H4B 124.2 . . ?
B3B B4B H4B 122.0 . . ?
B5B B4B H4B 121.1 . . ?
B9B B4B H4B 124.2 . . ?
B8B B4B H4B 121.4 . . ?
C1B B5B B9B 104.2(11) . . ?
C1B B5B B10B 105.0(10) . . ?
B9B B5B B10B 59.7(8) . . ?
C1B B5B B4B 58.1(7) . . ?
B9B B5B B4B 60.9(9) . . ?
B10B B5B B4B 109.1(11) . . ?
C1B B5B B6B 60.3(7) . . ?
B9B B5B B6B 106.7(10) . . ?
B10B B5B B6B 58.7(7) . . ?
B4B B5B B6B 109.0(10) . . ?
C1B B5B H5B 124.5 . . ?
B9B B5B H5B 123.0 . . ?
B10B B5B H5B 122.5 . . ?
B4B B5B H5B 120.6 . . ?
B6B B5B H5B 121.6 . . ?
C2B B6B B10B 104.5(9) . . ?
C2B B6B C1B 56.0(6) . . ?
B10B B6B C1B 103.6(9) . . ?
C2B B6B B11B 57.8(7) . . ?
B10B B6B B11B 61.0(7) . . ?
C1B B6B B11B 102.9(10) . . ?
C2B B6B B5B 102.5(9) . . ?
B10B B6B B5B 60.0(7) . . ?
C1B B6B B5B 57.2(6) . . ?
B11B B6B B5B 107.5(10) . . ?
C2B B6B H6B 125.6 . . ?
B10B B6B H6B 122.5 . . ?
C1B B6B H6B 126.1 . . ?
B11B B6B H6B 122.4 . . ?
B5B B6B H6B 123.1 . . ?
C2B B7B B3B 59.7(6) . . ?
C2B B7B B12B 101.8(11) . . ?
B3B B7B B12B 107.4(11) . . ?
C2B B7B B8B 105.8(10) . . ?
B3B B7B B8B 59.7(8) . . ?
B12B B7B B8B 62.1(10) . . ?
C2B B7B B11B 57.4(7) . . ?
B3B B7B B11B 108.1(10) . . ?
B12B B7B B11B 58.5(9) . . ?
B8B B7B B11B 110.0(12) . . ?
C2B B7B H7B 125.7 . . ?
B3B B7B H7B 121.4 . . ?
B12B B7B H7B 123.6 . . ?
B8B B7B H7B 120.4 . . ?
B11B B7B H7B 121.5 . . ?
B3B B8B B7B 59.1(7) . . ?
B3B B8B B4B 59.3(7) . . ?
B7B B8B B4B 105.7(10) . . ?
B3B B8B B9B 104.4(10) . . ?
B7B B8B B9B 103.8(12) . . ?
B4B B8B B9B 58.3(9) . . ?
B3B B8B B12B 104.3(11) . . ?
B7B B8B B12B 58.7(9) . . ?
B4B B8B B12B 103.3(13) . . ?
B9B B8B B12B 56.7(9) . . ?
B3B B8B H8B 123.3 . . ?
B7B B8B H8B 123.2 . . ?
B4B B8B H8B 123.4 . . ?
B9B B8B H8B 124.7 . . ?
B12B B8B H8B 124.8 . . ?
B5B B9B B12B 109.4(12) . . ?
B5B B9B B10B 61.2(8) . . ?
B12B B9B B10B 60.4(10) . . ?
B5B B9B B4B 60.6(7) . . ?
B12B B9B B4B 109.2(11) . . ?
B10B B9B B4B 110.1(10) . . ?
B5B B9B B8B 110.7(9) . . ?
B12B B9B B8B 61.8(10) . . ?
B10B B9B B8B 111.6(12) . . ?
B4B B9B B8B 60.7(8) . . ?
B5B B9B H9B 120.5 . . ?
B12B B9B H9B 121.1 . . ?
B10B B9B H9B 120.0 . . ?
B4B B9B H9B 121.1 . . ?
B8B B9B H9B 119.4 . . ?
B12B B10B B9B 59.5(10) . . ?
B12B B10B B6B 107.8(10) . . ?
B9B B10B B6B 108.3(10) . . ?
B12B B10B B5B 107.0(13) . . ?
B9B B10B B5B 59.1(8) . . ?
B6B B10B B5B 61.3(7) . . ?
B12B B10B B11B 58.8(9) . . ?
B9B B10B B11B 106.2(12) . . ?
B6B B10B B11B 60.1(7) . . ?
B5B B10B B11B 107.8(9) . . ?
B12B B10B H10B 122.5 . . ?
B9B B10B H10B 122.6 . . ?
B6B B10B H10B 120.8 . . ?
B5B B10B H10B 121.7 . . ?
B11B B10B H10B 122.6 . . ?
C2B B11B B12B 105.0(12) . . ?
C2B B11B B6B 59.5(6) . . ?
B12B B11B B6B 107.4(11) . . ?
C2B B11B B10B 104.1(9) . . ?
B12B B11B B10B 59.6(9) . . ?
B6B B11B B10B 58.8(8) . . ?
C2B B11B B7B 59.8(7) . . ?
B12B B11B B7B 60.4(10) . . ?
B6B B11B B7B 109.9(9) . . ?
B10B B11B B7B 108.4(11) . . ?
C2B B11B H11B 124.4 . . ?
B12B B11B H11B 122.7 . . ?
B6B B11B H11B 121.2 . . ?
B10B B11B H11B 123.2 . . ?
B7B B11B H11B 120.1 . . ?
B9B B12B B11B 109.0(11) . . ?
B9B B12B B10B 60.1(9) . . ?
B11B B12B B10B 61.7(10) . . ?
B9B B12B B7B 108.0(11) . . ?
B11B B12B B7B 61.1(8) . . ?
B10B B12B B7B 110.6(11) . . ?
B9B B12B B8B 61.6(10) . . ?
B11B B12B B8B 109.7(10) . . ?
B10B B12B B8B 111.2(12) . . ?
B7B B12B B8B 59.2(9) . . ?
B9B B12B H12B 121.6 . . ?
B11B B12B H12B 120.5 . . ?
B10B B12B H12B 119.5 . . ?
B7B B12B H12B 121.5 . . ?
B8B B12B H12B 120.3 . . ?
C3B S3B Mo1B 110.7(4) . . ?
C4B S4B Mo1B 110.3(4) . . ?
C4B C3B B14B 111.5(9) . . ?
C4B C3B B15B 111.8(9) . . ?
B14B C3B B15B 61.8(8) . . ?
C4B C3B B13B 61.5(6) . . ?
B14B C3B B13B 61.9(7) . . ?
B15B C3B B13B 112.9(10) . . ?
C4B C3B S3B 115.8(8) . . ?
B14B C3B S3B 122.6(8) . . ?
B15B C3B S3B 122.4(8) . . ?
B13B C3B S3B 117.3(8) . . ?
C4B C3B B16B 61.2(6) . . ?
B14B C3B B16B 113.2(10) . . ?
B15B C3B B16B 62.7(8) . . ?
B13B C3B B16B 112.9(9) . . ?
S3B C3B B16B 117.0(9) . . ?
C3B C4B B13B 62.7(6) . . ?
C3B C4B B21B 110.9(8) . . ?
B13B C4B B21B 112.0(9) . . ?
C3B C4B B16B 63.4(6) . . ?
B13B C4B B16B 115.7(8) . . ?
B21B C4B B16B 60.6(7) . . ?
C3B C4B B17B 111.2(8) . . ?
B13B C4B B17B 61.5(7) . . ?
B21B C4B B17B 60.6(7) . . ?
B16B C4B B17B 111.5(10) . . ?
C3B C4B S4B 117.7(8) . . ?
B13B C4B S4B 117.5(7) . . ?
B21B C4B S4B 121.7(8) . . ?
B16B C4B S4B 117.0(8) . . ?
B17B C4B S4B 122.0(7) . . ?
C4B B13B C3B 55.7(6) . . ?
C4B B13B B17B 59.7(7) . . ?
C3B B13B B17B 104.2(8) . . ?
C4B B13B B18B 107.3(10) . . ?
C3B B13B B18B 106.4(9) . . ?
B17B B13B B18B 60.9(8) . . ?
C4B B13B B14B 104.0(9) . . ?
C3B B13B B14B 58.5(7) . . ?
B17B B13B B14B 108.2(10) . . ?
B18B B13B B14B 61.0(8) . . ?
C4B B13B H13B 124.3 . . ?
C3B B13B H13B 125.1 . . ?
B17B B13B H13B 121.9 . . ?
B18B B13B H13B 120.8 . . ?
B14B B13B H13B 122.4 . . ?
C3B B14B B19B 106.5(10) . . ?
C3B B14B B15B 59.1(7) . . ?
B19B B14B B15B 61.4(8) . . ?
C3B B14B B13B 59.6(6) . . ?
B19B B14B B13B 107.8(10) . . ?
B15B B14B B13B 108.7(9) . . ?
C3B B14B B18B 105.7(9) . . ?
B19B B14B B18B 60.2(8) . . ?
B15B B14B B18B 109.3(11) . . ?
B13B B14B B18B 59.1(7) . . ?
C3B B14B H14B 123.7 . . ?
B19B B14B H14B 121.6 . . ?
B15B B14B H14B 120.5 . . ?
B13B B14B H14B 121.8 . . ?
B18B B14B H14B 122.2 . . ?
C3B B15B B14B 59.1(7) . . ?
C3B B15B B20B 105.8(10) . . ?
B14B B15B B20B 107.7(11) . . ?
C3B B15B B19B 105.0(10) . . ?
B14B B15B B19B 59.4(8) . . ?
B20B B15B B19B 59.8(8) . . ?
C3B B15B B16B 59.6(7) . . ?
B14B B15B B16B 108.5(9) . . ?
B20B B15B B16B 60.0(8) . . ?
B19B B15B B16B 107.7(11) . . ?
C3B B15B H15B 123.8 . . ?
B14B B15B H15B 121.6 . . ?
B20B B15B H15B 122.3 . . ?
B19B B15B H15B 122.8 . . ?
B16B B15B H15B 121.2 . . ?
C4B B16B B21B 60.2(7) . . ?
C4B B16B C3B 55.5(6) . . ?
B21B B16B C3B 104.3(9) . . ?
C4B B16B B20B 106.3(10) . . ?
B21B B16B B20B 61.3(9) . . ?
C3B B16B B20B 103.9(11) . . ?
C4B B16B B15B 103.1(9) . . ?
B21B B16B B15B 108.1(12) . . ?
C3B B16B B15B 57.7(7) . . ?
B20B B16B B15B 59.5(9) . . ?
C4B B16B H16B 124.5 . . ?
B21B B16B H16B 121.1 . . ?
C3B B16B H16B 125.9 . . ?
B20B B16B H16B 122.3 . . ?
B15B B16B H16B 123.2 . . ?
B22B B17B C4B 106.2(10) . . ?
B22B B17B B21B 61.3(8) . . ?
C4B B17B B21B 59.7(7) . . ?
B22B B17B B13B 107.6(10) . . ?
C4B B17B B13B 58.8(7) . . ?
B21B B17B B13B 108.9(9) . . ?
B22B B17B B18B 60.0(8) . . ?
C4B B17B B18B 105.4(9) . . ?
B21B B17B B18B 109.7(10) . . ?
B13B B17B B18B 59.4(8) . . ?
B22B B17B H17B 121.9 . . ?
C4B B17B H17B 123.9 . . ?
B21B B17B H17B 120.0 . . ?
B13B B17B H17B 122.0 . . ?
B18B B17B H17B 122.1 . . ?
B22B B18B B13B 106.1(10) . . ?
B22B B18B B19B 60.4(8) . . ?
B13B B18B B19B 107.6(10) . . ?
B22B B18B B17B 58.0(7) . . ?
B13B B18B B17B 59.6(7) . . ?
B19B B18B B17B 106.7(10) . . ?
B22B B18B B14B 106.2(10) . . ?
B13B B18B B14B 59.9(8) . . ?
B19B B18B B14B 59.1(7) . . ?
B17B B18B B14B 106.3(10) . . ?
B22B B18B H18B 123.1 . . ?
B13B B18B H18B 122.1 . . ?
B19B B18B H18B 121.8 . . ?
B17B B18B H18B 123.1 . . ?
B14B B18B H18B 122.8 . . ?
B14B B19B B20B 107.5(10) . . ?
B14B B19B B18B 60.8(8) . . ?
B20B B19B B18B 108.5(10) . . ?
B14B B19B B15B 59.2(8) . . ?
B20B B19B B15B 59.7(8) . . ?
B18B B19B B15B 108.1(10) . . ?
B14B B19B B22B 106.3(10) . . ?
B20B B19B B22B 60.1(8) . . ?
B18B B19B B22B 58.9(7) . . ?
B15B B19B B22B 106.3(10) . . ?
B14B B19B H19B 122.3 . . ?
B20B B19B H19B 121.4 . . ?
B18B B19B H19B 121.2 . . ?
B15B B19B H19B 122.4 . . ?
B22B B19B H19B 123.1 . . ?
B19B B20B B15B 60.5(8) . . ?
B19B B20B B22B 59.8(8) . . ?
B15B B20B B22B 106.8(11) . . ?
B19B B20B B16B 108.8(11) . . ?
B15B B20B B16B 60.5(8) . . ?
B22B B20B B16B 105.6(9) . . ?
B19B B20B B21B 107.4(10) . . ?
B15B B20B B21B 106.2(10) . . ?
B22B B20B B21B 59.1(7) . . ?
B16B B20B B21B 57.9(7) . . ?
B19B B20B H20B 120.9 . . ?
B15B B20B H20B 121.9 . . ?
B22B B20B H20B 123.1 . . ?
B16B B20B H20B 122.4 . . ?
B21B B20B H20B 123.3 . . ?
C4B B21B B17B 59.7(7) . . ?
C4B B21B B16B 59.2(7) . . ?
B17B B21B B16B 109.6(10) . . ?
C4B B21B B22B 104.0(10) . . ?
B17B B21B B22B 58.5(7) . . ?
B16B B21B B22B 108.7(10) . . ?
C4B B21B B20B 105.2(10) . . ?
B17B B21B B20B 107.6(10) . . ?
B16B B21B B20B 60.8(8) . . ?
B22B B21B B20B 60.0(8) . . ?
C4B B21B H21B 124.5 . . ?
B17B B21B H21B 121.4 . . ?
B16B B21B H21B 120.2 . . ?
B22B B21B H21B 123.2 . . ?
B20B B21B H21B 122.2 . . ?
B17B B22B B18B 62.0(8) . . ?
B17B B22B B21B 60.2(7) . . ?
B18B B22B B21B 110.4(11) . . ?
B17B B22B B20B 109.8(10) . . ?
B18B B22B B20B 109.9(11) . . ?
B21B B22B B20B 60.9(8) . . ?
B17B B22B B19B 110.0(11) . . ?
B18B B22B B19B 60.7(8) . . ?
B21B B22B B19B 109.1(10) . . ?
B20B B22B B19B 60.1(8) . . ?
B17B B22B H22B 120.3 . . ?
B18B B22B H22B 119.9 . . ?
B21B B22B H22B 120.9 . . ?
B20B B22B H22B 120.8 . . ?
B19B B22B H22B 121.2 . . ?
O1B C5B Mo1B 172.6(11) . . ?
O2B C6B Mo1B 177.3(11) . . ?
C8B C7B C11B 110.5(10) . . ?
C8B C7B C12B 125.8(11) . . ?
C11B C7B C12B 123.7(10) . . ?
C8B C7B Rh1B 72.5(6) . . ?
C11B C7B Rh1B 70.4(6) . . ?
C12B C7B Rh1B 124.0(7) . . ?
C7B C8B C9B 105.8(10) . . ?
C7B C8B C13B 125.7(11) . . ?
C9B C8B C13B 128.2(10) . . ?
C7B C8B Rh1B 70.3(6) . . ?
C9B C8B Rh1B 69.9(6) . . ?
C13B C8B Rh1B 129.0(8) . . ?
C10B C9B C8B 109.0(9) . . ?
C10B C9B C14B 126.0(10) . . ?
C8B C9B C14B 125.0(10) . . ?
C10B C9B Rh1B 69.8(6) . . ?
C8B C9B Rh1B 71.1(6) . . ?
C14B C9B Rh1B 126.7(7) . . ?
C9B C10B C11B 109.5(9) . . ?
C9B C10B C15B 124.5(9) . . ?
C11B C10B C15B 125.4(9) . . ?
C9B C10B Rh1B 72.5(6) . . ?
C11B C10B Rh1B 71.7(5) . . ?
C15B C10B Rh1B 129.1(7) . . ?
C10B C11B C7B 105.2(9) . . ?
C10B C11B C16B 127.8(10) . . ?
C7B C11B C16B 125.9(10) . . ?
C10B C11B Rh1B 69.8(5) . . ?
C7B C11B Rh1B 70.1(5) . . ?
C16B C11B Rh1B 133.4(8) . . ?
C7B C12B H12H 109.5 . . ?
C7B C12B H12F 109.5 . . ?
H12H C12B H12F 109.5 . . ?
C7B C12B H12G 109.5 . . ?
H12H C12B H12G 109.5 . . ?
H12F C12B H12G 109.5 . . ?
C8B C13B H13H 109.5 . . ?
C8B C13B H13F 109.5 . . ?
H13H C13B H13F 109.5 . . ?
C8B C13B H13G 109.5 . . ?
H13H C13B H13G 109.5 . . ?
H13F C13B H13G 109.5 . . ?
C9B C14B H14H 109.5 . . ?
C9B C14B H14F 109.5 . . ?
H14H C14B H14F 109.5 . . ?
C9B C14B H14G 109.5 . . ?
H14H C14B H14G 109.5 . . ?
H14F C14B H14G 109.5 . . ?
C10B C15B H15H 109.5 . . ?
C10B C15B H15F 109.5 . . ?
H15H C15B H15F 109.5 . . ?
C10B C15B H15G 109.5 . . ?
H15H C15B H15G 109.5 . . ?
H15F C15B H15G 109.5 . . ?
C11B C16B H16H 109.5 . . ?
C11B C16B H16F 109.5 . . ?
H16H C16B H16F 109.5 . . ?
C11B C16B H16G 109.4 . . ?
H16H C16B H16G 109.5 . . ?
H16F C16B H16G 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Mo1A C6A 1.841(14) . ?
Mo1A C5A 1.867(16) . ?
Mo1A S4A 2.370(3) . ?
Mo1A S3A 2.372(3) . ?
Mo1A S2A 2.501(3) . ?
Mo1A S1A 2.509(3) . ?
Mo1A Rh1A 2.7447(13) . ?
Rh1A C7A 2.174(9) . ?
Rh1A C10A 2.177(10) . ?
Rh1A C9A 2.205(10) . ?
Rh1A C8A 2.197(10) . ?
Rh1A C11A 2.200(10) . ?
Rh1A S1A 2.353(3) . ?
Rh1A S2A 2.375(3) . ?
S1A C1A 1.799(9) . ?
S2A C2A 1.822(9) . ?
C1A C2A 1.635(12) . ?
C1A B4A 1.713(15) . ?
C1A B3A 1.715(16) . ?
C1A B6A 1.717(15) . ?
C1A B5A 1.733(14) . ?
C2A B11A 1.707(14) . ?
C2A B3A 1.735(15) . ?
C2A B6A 1.720(16) . ?
C2A B7A 1.746(16) . ?
B3A B4A 1.764(18) . ?
B3A B8A 1.764(17) . ?
B3A B7A 1.784(17) . ?
B3A H3A 1.1000 . ?
B4A B9A 1.780(17) . ?
B4A B5A 1.801(18) . ?
B4A B8A 1.82(2) . ?
B4A H4A 1.1000 . ?
B5A B9A 1.74(2) . ?
B5A B6A 1.762(17) . ?
B5A B10A 1.778(18) . ?
B5A H5A 1.1000 . ?
B6A B11A 1.797(19) . ?
B6A B10A 1.795(17) . ?
B6A H6A 1.1000 . ?
B7A B8A 1.782(19) . ?
B7A B12A 1.813(19) . ?
B7A B11A 1.837(19) . ?
B7A H7A 1.1000 . ?
B8A B12A 1.77(2) . ?
B8A B9A 1.82(2) . ?
B8A H8A 1.1000 . ?
B9A B10A 1.76(2) . ?
B9A B12A 1.78(2) . ?
B9A H9A 1.1000 . ?
B10A B12A 1.79(2) . ?
B10A B11A 1.80(2) . ?
B10A H10A 1.1000 . ?
B11A B12A 1.79(2) . ?
B11A H11A 1.1000 . ?
B12A H12A 1.1000 . ?
S3A C3A 1.800(10) . ?
S4A C4A 1.773(10) . ?
C3A C4A 1.618(12) . ?
C3A B16A 1.691(14) . ?
C3A B15A 1.711(15) . ?
C3A B14A 1.712(14) . ?
C3A B13A 1.725(13) . ?
C4A B21A 1.694(16) . ?
C4A B17A 1.717(15) . ?
C4A B13A 1.704(14) . ?
C4A B16A 1.716(15) . ?
B13A B17A 1.749(18) . ?
B13A B18A 1.767(18) . ?
B13A B14A 1.783(16) . ?
B13A H13A 1.1000 . ?
B14A B19A 1.744(18) . ?
B14A B18A 1.748(18) . ?
B14A B15A 1.757(16) . ?
B14A H14A 1.1000 . ?
B15A B19A 1.750(18) . ?
B15A B16A 1.770(16) . ?
B15A B20A 1.81(2) . ?
B15A H15A 1.1000 . ?
B16A B21A 1.757(18) . ?
B16A B20A 1.772(19) . ?
B16A H16A 1.1000 . ?
B17A B21A 1.727(17) . ?
B17A B22A 1.760(19) . ?
B17A B18A 1.770(18) . ?
B17A H17A 1.1000 . ?
B18A B22A 1.749(19) . ?
B18A B19A 1.757(17) . ?
B18A H18A 1.1000 . ?
B19A B20A 1.744(18) . ?
B19A B22A 1.774(18) . ?
B19A H19A 1.1000 . ?
B20A B22A 1.738(19) . ?
B20A B21A 1.823(18) . ?
B20A H20A 1.1000 . ?
B21A B22A 1.776(17) . ?
B21A H21A 1.1000 . ?
B22A H22A 1.1000 . ?
C5A O1A 1.231(14) . ?
C6A O2A 1.254(12) . ?
C7A C8A 1.413(12) . ?
C7A C11A 1.414(12) . ?
C7A C12A 1.522(11) . ?
C8A C9A 1.444(12) . ?
C8A C13A 1.492(11) . ?
C9A C10A 1.455(11) . ?
C9A C14A 1.462(11) . ?
C10A C11A 1.437(12) . ?
C10A C15A 1.519(10) . ?
C11A C16A 1.505(10) . ?
C12A H12E 0.9600 . ?
C12A H12C 0.9600 . ?
C12A H12D 0.9600 . ?
C13A H13E 0.9600 . ?
C13A H13C 0.9600 . ?
C13A H13D 0.9600 . ?
C14A H14E 0.9600 . ?
C14A H14C 0.9600 . ?
C14A H14D 0.9600 . ?
C15A H15E 0.9600 . ?
C15A H15C 0.9600 . ?
C15A H15D 0.9600 . ?
C16A H16E 0.9600 . ?
C16A H16C 0.9600 . ?
C16A H16D 0.9600 . ?
Mo1B C6B 1.870(15) . ?
Mo1B C5B 1.935(12) . ?
Mo1B S4B 2.359(3) . ?
Mo1B S3B 2.374(3) . ?
Mo1B S2B 2.499(3) . ?
Mo1B S1B 2.515(3) . ?
Mo1B Rh1B 2.7518(13) . ?
Rh1B C10B 2.168(9) . ?
Rh1B C7B 2.188(10) . ?
Rh1B C11B 2.193(10) . ?
Rh1B C9B 2.202(10) . ?
Rh1B C8B 2.217(11) . ?
Rh1B S2B 2.361(3) . ?
Rh1B S1B 2.363(3) . ?
S1B C1B 1.817(8) . ?
S2B C2B 1.839(10) . ?
C1B C2B 1.633(13) . ?
C1B B5B 1.701(15) . ?
C1B B4B 1.688(15) . ?
C1B B3B 1.741(16) . ?
C1B B6B 1.760(15) . ?
C2B B11B 1.689(15) . ?
C2B B6B 1.720(16) . ?
C2B B3B 1.727(16) . ?
C2B B7B 1.731(16) . ?
B3B B8B 1.753(16) . ?
B3B B7B 1.742(17) . ?
B3B B4B 1.771(17) . ?
B3B H3B 1.1000 . ?
B4B B5B 1.775(19) . ?
B4B B9B 1.779(19) . ?
B4B B8B 1.823(19) . ?
B4B H4B 1.1000 . ?
B5B B9B 1.737(19) . ?
B5B B10B 1.773(18) . ?
B5B B6B 1.796(17) . ?
B5B H5B 1.1000 . ?
B6B B10B 1.749(16) . ?
B6B B11B 1.772(18) . ?
B6B H6B 1.1000 . ?
B7B B12B 1.77(2) . ?
B7B B8B 1.780(19) . ?
B7B B11B 1.78(2) . ?
B7B H7B 1.1000 . ?
B8B B9B 1.83(2) . ?
B8B B12B 1.83(2) . ?
B8B H8B 1.1000 . ?
B9B B12B 1.74(2) . ?
B9B B10B 1.75(2) . ?
B9B H9B 1.1000 . ?
B10B B12B 1.75(2) . ?
B10B B11B 1.788(19) . ?
B10B H10B 1.1000 . ?
B11B B12B 1.74(2) . ?
B11B H11B 1.1000 . ?
B12B H12B 1.1000 . ?
S3B C3B 1.772(11) . ?
S4B C4B 1.765(10) . ?
C3B C4B 1.619(12) . ?
C3B B14B 1.721(17) . ?
C3B B15B 1.720(16) . ?
C3B B13B 1.741(15) . ?
C3B B16B 1.757(16) . ?
C4B B13B 1.722(14) . ?
C4B B21B 1.739(16) . ?
C4B B16B 1.722(14) . ?
C4B B17B 1.739(16) . ?
B13B B17B 1.770(17) . ?
B13B B18B 1.767(19) . ?
B13B B14B 1.781(17) . ?
B13B H13B 1.1000 . ?
B14B B19B 1.771(19) . ?
B14B B15B 1.768(18) . ?
B14B B18B 1.802(19) . ?
B14B H14B 1.1000 . ?
B15B B20B 1.79(2) . ?
B15B B19B 1.806(19) . ?
B15B B16B 1.809(19) . ?
B15B H15B 1.1000 . ?
B16B B21B 1.746(19) . ?
B16B B20B 1.80(2) . ?
B16B H16B 1.1000 . ?
B17B B22B 1.723(17) . ?
B17B B21B 1.755(16) . ?
B17B B18B 1.793(18) . ?
B17B H17B 1.1000 . ?
B18B B22B 1.760(18) . ?
B18B B19B 1.791(18) . ?
B18B H18B 1.1000 . ?
B19B B20B 1.792(19) . ?
B19B B22B 1.787(18) . ?
B19B H19B 1.1000 . ?
B20B B22B 1.791(18) . ?
B20B B21B 1.807(18) . ?
B20B H20B 1.1000 . ?
B21B B22B 1.774(18) . ?
B21B H21B 1.1000 . ?
B22B H22B 1.1000 . ?
C5B O1B 1.196(11) . ?
C6B O2B 1.230(13) . ?
C7B C8B 1.408(12) . ?
C7B C11B 1.478(13) . ?
C7B C12B 1.509(11) . ?
C8B C9B 1.474(13) . ?
C8B C13B 1.504(12) . ?
C9B C10B 1.412(11) . ?
C9B C14B 1.485(10) . ?
C10B C11B 1.438(11) . ?
C10B C15B 1.486(11) . ?
C11B C16B 1.485(10) . ?
C12B H12H 0.9600 . ?
C12B H12F 0.9600 . ?
C12B H12G 0.9600 . ?
C13B H13H 0.9600 . ?
C13B H13F 0.9600 . ?
C13B H13G 0.9600 . ?
C14B H14H 0.9600 . ?
C14B H14F 0.9600 . ?
C14B H14G 0.9600 . ?
C15B H15H 0.9600 . ?
C15B H15F 0.9600 . ?
C15B H15G 0.9600 . ?
C16B H16H 0.9600 . ?
C16B H16F 0.9600 . ?
C16B H16G 0.9600 . ?
