#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/47/4114779.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_4114779
loop_
_publ_author_name
'Felicia L. Taw'
'Heather Mellows'
'Peter S. White'
'Frederick J. Hollander'
'Robert G. Bergman'
'Maurice Brookhart'
'D. Michael Heinekey'
_publ_section_title
;
 Synthesis and Investigation of [Cp*(PMe3)Rh(H)(H2)]+ and Its Partially
 Deuterated and Tritiated Isotopomers: Evidence for a Hydride/Dihydrogen
 Structure
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              5100
_journal_page_last               5108
_journal_paper_doi               10.1021/ja0165990
_journal_volume                  124
_journal_year                    2002
_chemical_formula_moiety         'Rh2 P2 C58 H60 B F24 '
_chemical_formula_sum            'C58 H60 B F24 P2 Rh2'
_chemical_formula_weight         1491.63
_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'
_cell_angle_alpha                90.833(1)
_cell_angle_beta                 95.243(1)
_cell_angle_gamma                90.721(1)
_cell_formula_units_Z            2
_cell_length_a                   12.6439(4)
_cell_length_b                   13.4981(4)
_cell_length_c                   18.8481(5)
_cell_measurement_reflns_used    8072
_cell_measurement_temperature    173
_cell_measurement_theta_max      30.00
_cell_measurement_theta_min      2.50
_cell_volume                     3202.67(16)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT/NRCVAX DATRD2'
_computing_molecular_graphics    NRCVAX
_computing_publication_material  'NRCVAX TABLES Jan 94 Version'
_computing_structure_refinement  'NRCVAX LSTSQ'
_computing_structure_solution    'NRCVAX SOLVER'
_diffrn_ambient_temperature      173
_diffrn_measurement_device       'Bruker SMART'
_diffrn_measurement_method       'Omega scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'xray tube'
_diffrn_radiation_type           'Molybdenum K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.041
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            63716
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         0.00
_exptl_absorpt_coefficient_mu    0.67
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  1.0000
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.547
_exptl_crystal_F_000             1495.18
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         22.20
_refine_diff_density_min         -13.90
_refine_ls_extinction_coef       1.796(271)
_refine_ls_extinction_method     Larson
_refine_ls_goodness_of_fit_obs   3.99
_refine_ls_matrix_type           full
_refine_ls_number_parameters     839
_refine_ls_number_reflns         9084
_refine_ls_R_factor_all          0.089
_refine_ls_R_factor_obs          0.065
_refine_ls_shift/esd_max         0.019
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/(σ²(F)+0.0002F²)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.135
_refine_ls_wR_factor_obs         0.090
_reflns_number_observed          9465
_reflns_number_total             11243
_reflns_observed_criterion       'Inet > 2.5\s(Inet)'
_cod_data_source_file            ja0165990_s1_2.cif
_cod_data_source_block           c00027
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/(\s^2^(F)+0.0002F^2^)' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w =
1/(\s^2^(F)+0.0002F^2^)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_formula_sum        'Rh2 P2 C58 H60 B F24 '
_cod_database_code               4114779
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_type_symbol
Rh1 0.39616(4) 0.10263(4) 0.29860(3) 0.0236(3) Uij Rh
Rh2 0.55074(4) 0.12057(4) 0.18993(3) 0.0270(3) Uij Rh
P1 0.29867(16) 0.23999(14) 0.28100(11) 0.0338(10) Uij P
P2 0.65917(16) 0.24390(15) 0.23647(11) 0.0378(10) Uij P
C1 0.3307(8) 0.3206(6) 0.2079(5) 0.054(5) Uij C
C2 0.3037(8) 0.3294(7) 0.3554(6) 0.059(5) Uij C
C3 0.1563(7) 0.2177(7) 0.2617(6) 0.054(5) Uij C
C4 0.7998(7) 0.2112(8) 0.2559(6) 0.062(6) Uij C
C5 0.6718(8) 0.3563(8) 0.1842(6) 0.065(6) Uij C
C6 0.6264(8) 0.2969(7) 0.3224(5) 0.058(5) Uij C
C11 0.3522(6) -0.0413(5) 0.3470(4) 0.030(4) Uij C
C12 0.4640(6) -0.0418(5) 0.3453(4) 0.031(4) Uij C
C13 0.5077(6) 0.0408(6) 0.3920(4) 0.039(4) Uij C
C14 0.4229(6) 0.0900(5) 0.4207(4) 0.034(4) Uij C
C15 0.3243(6) 0.0406(6) 0.3914(4) 0.035(4) Uij C
C16 0.2719(7) -0.1171(6) 0.3151(5) 0.044(4) Uij C
C17 0.5291(7) -0.1194(6) 0.3142(4) 0.043(4) Uij C
C18 0.6244(7) 0.0548(7) 0.4135(5) 0.050(5) Uij C
C19 0.4360(9) 0.1682(7) 0.4768(5) 0.056(6) Uij C
C20 0.2141(7) 0.0562(6) 0.4143(5) 0.047(5) Uij C
C21 0.4747(6) 0.0000(6) 0.1153(4) 0.036(4) Uij C
C22 0.5860(7) -0.0031(6) 0.1143(4) 0.039(4) Uij C
C23 0.6213(6) 0.0934(6) 0.0883(4) 0.038(4) Uij C
C24 0.5267(6) 0.1522(6) 0.0698(4) 0.040(4) Uij C
C25 0.4363(6) 0.0948(5) 0.0876(4) 0.032(4) Uij C
C26 0.4012(7) -0.0861(6) 0.1316(4) 0.048(5) Uij C
C27 0.6570(8) -0.0897(7) 0.1327(5) 0.053(5) Uij C
C28 0.7296(7) 0.1154(7) 0.0712(4) 0.048(5) Uij C
C29 0.5228(7) 0.2493(6) 0.0322(4) 0.045(4) Uij C
B30 1.0175(6) 0.6057(6) 0.2471(4) 0.026(4) Uij B
C30 0.3211(7) 0.1200(7) 0.0708(4) 0.044(4) Uij C
C31 0.9568(5) 0.5518(5) 0.3098(4) 0.025(3) Uij C
C32 0.8543(5) 0.5828(5) 0.3227(4) 0.026(3) Uij C
C33 0.7979(5) 0.5416(5) 0.3751(4) 0.031(4) Uij C
C34 0.8402(6) 0.4621(5) 0.4164(4) 0.028(3) Uij C
C35 0.9386(5) 0.4274(5) 0.4023(4) 0.026(3) Uij C
C36 0.9959(5) 0.4712(5) 0.3502(4) 0.026(3) Uij C
C37 0.6904(6) 0.5821(7) 0.3905(5) 0.042(5) Uij C
C38 0.9845(7) 0.3394(6) 0.4442(4) 0.039(4) Uij C
C41 0.9659(5) 0.5539(5) 0.1726(4) 0.026(3) Uij C
C42 0.8729(6) 0.5921(5) 0.1359(4) 0.030(3) Uij C
C43 0.8196(6) 0.5397(6) 0.0771(4) 0.034(4) Uij C
C44 0.8602(6) 0.4547(6) 0.0510(4) 0.035(4) Uij C
C45 0.9517(6) 0.4150(5) 0.0870(4) 0.031(4) Uij C
C46 1.0030(5) 0.4651(5) 0.1453(4) 0.028(3) Uij C
C47 0.7182(7) 0.5826(7) 0.0419(5) 0.050(5) Uij C
C48 0.9929(7) 0.3188(6) 0.0614(4) 0.040(4) Uij C
C51 1.1484(5) 0.5987(4) 0.2589(4) 0.024(3) Uij C
C52 1.2144(5) 0.5974(5) 0.2037(4) 0.029(3) Uij C
C53 1.3259(5) 0.6066(5) 0.2155(4) 0.026(3) Uij C
C54 1.3751(5) 0.6161(5) 0.2843(4) 0.029(4) Uij C
C55 1.3118(5) 0.6155(5) 0.3410(4) 0.026(3) Uij C
C56 1.1998(5) 0.6086(5) 0.3294(4) 0.025(3) Uij C
C57 1.3944(6) 0.6069(6) 0.1535(4) 0.037(4) Uij C
C58 1.3620(6) 0.6268(6) 0.4164(4) 0.037(4) Uij C
C61 0.9990(5) 0.7272(5) 0.2477(4) 0.028(4) Uij C
C62 1.0124(6) 0.7858(5) 0.1875(4) 0.033(4) Uij C
C63 1.0019(6) 0.8884(5) 0.1871(4) 0.035(4) Uij C
C64 0.9751(6) 0.9385(6) 0.2475(5) 0.045(5) Uij C
C65 0.9613(6) 0.8848(5) 0.3086(5) 0.038(4) Uij C
C66 0.9761(6) 0.7814(5) 0.3085(4) 0.033(4) Uij C
C67 1.0198(8) 0.9440(6) 0.1200(6) 0.056(6) Uij C
C68 0.9304(8) 0.9345(7) 0.3759(6) 0.061(6) Uij C
F31 0.6578(17) 0.6537(13) 0.3480(15) 0.088(17) Uij F
F32 0.6912(22) 0.6136(23) 0.4578(10) 0.087(16) Uij F
F33 0.6151(17) 0.5144(18) 0.3872(18) 0.086(15) Uij F
F31a 0.6324(23) 0.594(4) 0.3317(16) 0.18(3) Uij F
F32a 0.6966(17) 0.654(3) 0.430(3) 0.17(3) Uij F
F33a 0.6285(23) 0.5239(20) 0.4115(22) 0.123(23) Uij F
F34 0.9356(22) 0.3118(23) 0.4961(16) 0.141(22) Uij F
F35 0.994(3) 0.2617(21) 0.4018(17) 0.079(14) Uij F
F36 1.0853(15) 0.3571(17) 0.4678(11) 0.082(12) Uij F
F34a 0.941(4) 0.2589(21) 0.4217(16) 0.13(3) Uij F
F35a 1.0836(20) 0.328(3) 0.4440(19) 0.16(3) Uij F
F36a 0.9707(21) 0.3488(15) 0.5106(8) 0.083(15) Uij F
F41 0.6993(7) 0.6719(5) 0.0617(5) 0.137(6) Uij F
F42 0.6336(4) 0.5273(6) 0.0500(4) 0.101(5) Uij F
F43 0.7200(5) 0.5875(5) -0.0299(3) 0.082(4) Uij F
F44 1.0964(5) 0.3107(4) 0.0700(5) 0.095(5) Uij F
F45 0.9645(8) 0.2964(6) -0.0049(4) 0.127(6) Uij F
F46 0.9595(6) 0.2429(4) 0.0986(4) 0.091(5) Uij F
F51 1.3414(4) 0.6365(5) 0.0931(3) 0.061(3) Uij F
F52 1.4322(4) 0.5175(4) 0.1410(3) 0.063(3) Uij F
F53 1.4789(4) 0.6705(4) 0.1651(3) 0.058(3) Uij F
F54 1.4566(4) 0.6714(4) 0.4200(3) 0.062(3) Uij F
F55 1.3798(8) 0.5395(5) 0.4467(4) 0.113(6) Uij F
F56 1.3032(4) 0.6775(5) 0.4590(3) 0.067(4) Uij F
F61 1.1076(6) 0.9187(6) 0.0920(4) 0.106(5) Uij F
F62 0.9448(6) 0.9226(6) 0.0669(4) 0.091(4) Uij F
F63 1.0128(9) 1.0404(4) 0.1278(4) 0.121(7) Uij F
F64 0.9346(6) 1.0327(4) 0.3731(4) 0.090(5) Uij F
F65 0.8314(6) 0.9054(7) 0.3900(5) 0.122(6) Uij F
F66 0.9934(6) 0.9109(4) 0.4334(3) 0.074(4) Uij F
H1a 0.332 0.281 0.165 0.0639 Uiso H
H1b 0.277 0.371 0.201 0.0639 Uiso H
H1c 0.400 0.353 0.219 0.0639 Uiso H
H2a 0.377 0.347 0.371 0.0689 Uiso H
H2b 0.266 0.388 0.340 0.0689 Uiso H
H2c 0.271 0.300 0.394 0.0689 Uiso H
H3a 0.131 0.175 0.297 0.0636 Uiso H
H3b 0.119 0.279 0.261 0.0636 Uiso H
H3c 0.143 0.185 0.215 0.0636 Uiso H
H4a 0.805 0.153 0.285 0.0725 Uiso H
H4b 0.830 0.199 0.212 0.0725 Uiso H
H4c 0.838 0.266 0.282 0.0725 Uiso H
H5a 0.690 0.337 0.137 0.0749 Uiso H
H5b 0.605 0.391 0.180 0.0749 Uiso H
H5c 0.727 0.399 0.207 0.0749 Uiso H
H6a 0.552 0.317 0.318 0.0681 Uiso H
H6b 0.636 0.248 0.360 0.0681 Uiso H
H6c 0.671 0.354 0.335 0.0681 Uiso H
H16a 0.200 -0.099 0.324 0.0545 Uiso H
H16b 0.277 -0.119 0.264 0.0545 Uiso H
H16c 0.288 -0.181 0.335 0.0545 Uiso H
H17a 0.483 -0.165 0.285 0.0533 Uiso H
H17b 0.579 -0.089 0.284 0.0533 Uiso H
H17c 0.568 -0.155 0.352 0.0533 Uiso H
H18a 0.664 0.011 0.384 0.0590 Uiso H
H18b 0.646 0.122 0.405 0.0590 Uiso H
H18c 0.641 0.039 0.463 0.0590 Uiso H
H19a 0.510 0.187 0.486 0.0659 Uiso H
H19b 0.396 0.226 0.460 0.0659 Uiso H
H19c 0.410 0.146 0.520 0.0659 Uiso H
H20a 0.212 0.115 0.444 0.0581 Uiso H
H20b 0.164 0.062 0.372 0.0581 Uiso H
H20c 0.193 -0.001 0.441 0.0581 Uiso H
H26a 0.329 -0.063 0.129 0.0570 Uiso H
H26b 0.407 -0.139 0.097 0.0570 Uiso H
H26c 0.420 -0.110 0.179 0.0570 Uiso H
H27a 0.615 -0.144 0.149 0.0630 Uiso H
H27b 0.691 -0.112 0.091 0.0630 Uiso H
H27c 0.712 -0.071 0.169 0.0630 Uiso H
H28a 0.777 0.063 0.089 0.0607 Uiso H
H28b 0.732 0.120 0.020 0.0607 Uiso H
H28c 0.752 0.178 0.094 0.0607 Uiso H
H29a 0.594 0.272 0.028 0.0540 Uiso H
H29b 0.485 0.241 -0.014 0.0540 Uiso H
H29c 0.486 0.298 0.060 0.0540 Uiso H
H30a 0.318 0.186 0.052 0.0523 Uiso H
H30b 0.287 0.073 0.036 0.0523 Uiso H
H30c 0.285 0.117 0.114 0.0523 Uiso H
H32 0.822 0.635 0.295 0.0362 Uiso H
H34 0.802 0.434 0.454 0.0392 Uiso H
H36 1.065 0.445 0.342 0.0353 Uiso H
H42 0.845 0.654 0.152 0.0400 Uiso H
H44 0.825 0.421 0.009 0.0448 Uiso H
H46 1.067 0.438 0.169 0.0389 Uiso H
H52 1.182 0.589 0.155 0.0379 Uiso H
H54 1.452 0.623 0.293 0.0395 Uiso H
H56 1.158 0.612 0.369 0.0348 Uiso H
H62 1.031 0.752 0.145 0.0430 Uiso H
H64 0.966 1.010 0.247 0.0539 Uiso H
H66 0.970 0.746 0.352 0.0435 Uiso H
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Rh -1.118 0.919 'International Tables Vol. IV Table 2.2B'
P 0.102 0.094 'International Tables Vol. IV Table 2.2B'
C 0.003 0.002 'International Tables Vol. IV Table 2.2B'
H 0.000 0.000 'International Tables Vol. IV Table 2.2B'
B 0.001 0.001 'International Tables Vol. IV Table 2.2B'
F 0.017 0.010 'International Tables Vol. IV Table 2.2B'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
P(1) Rh(1) C(11) 129.09(19)
P(1) Rh(1) C(15) 100.24(20)
C(11) Rh(1) C(15) 37.8(3)
P(2) Rh(2) C(22) 128.94(22)
P(2) Rh(2) C(23) 99.89(23)
C(22) Rh(2) C(23) 38.6(3)
Rh(1) P(1) C(1) 117.1(3)
Rh(1) P(1) C(2) 116.5(3)
Rh(1) P(1) C(3) 114.9(3)
C(1) P(1) C(2) 101.0(5)
C(1) P(1) C(3) 102.8(4)
C(2) P(1) C(3) 102.4(5)
Rh(2) P(2) C(4) 115.7(4)
Rh(2) P(2) C(5) 118.3(3)
Rh(2) P(2) C(6) 115.9(3)
C(4) P(2) C(5) 100.9(5)
C(4) P(2) C(6) 102.2(5)
C(5) P(2) C(6) 101.2(5)
Rh(1) C(11) C(12) 73.8(4)
Rh(1) C(11) C(15) 70.0(4)
Rh(1) C(11) C(16) 126.6(5)
C(12) C(11) C(15) 108.9(7)
C(12) C(11) C(16) 127.9(7)
C(15) C(11) C(16) 123.0(7)
C(11) C(12) C(13) 107.0(6)
C(11) C(12) C(17) 127.6(7)
C(13) C(12) C(17) 124.5(7)
C(12) C(13) C(14) 108.8(7)
C(12) C(13) C(18) 123.0(7)
C(14) C(13) C(18) 127.3(7)
C(13) C(14) C(15) 107.2(6)
C(13) C(14) C(19) 124.5(8)
C(15) C(14) C(19) 127.8(7)
Rh(1) C(15) C(11) 72.2(4)
Rh(1) C(15) C(14) 74.5(4)
Rh(1) C(15) C(20) 128.7(5)
C(11) C(15) C(14) 107.9(6)
C(11) C(15) C(20) 123.9(7)
C(14) C(15) C(20) 127.0(7)
C(22) C(21) C(25) 109.4(7)
C(22) C(21) C(26) 126.6(7)
C(25) C(21) C(26) 123.4(7)
Rh(2) C(22) C(21) 72.9(4)
Rh(2) C(22) C(23) 69.2(4)
Rh(2) C(22) C(27) 125.5(5)
C(21) C(22) C(23) 107.4(7)
C(21) C(22) C(27) 127.1(8)
C(23) C(22) C(27) 125.4(7)
Rh(2) C(23) C(22) 72.2(4)
Rh(2) C(23) C(24) 74.5(4)
Rh(2) C(23) C(28) 128.3(6)
C(22) C(23) C(24) 107.8(7)
C(22) C(23) C(28) 124.2(7)
C(24) C(23) C(28) 127.0(7)
C(23) C(24) C(25) 107.4(7)
C(23) C(24) C(29) 126.5(7)
C(25) C(24) C(29) 125.8(7)
C(21) C(25) C(24) 107.9(7)
C(21) C(25) C(30) 124.9(7)
C(24) C(25) C(30) 126.6(7)
C(31) B(30) C(41) 105.0(5)
C(31) B(30) C(51) 113.5(6)
C(31) B(30) C(61) 111.3(5)
C(41) B(30) C(51) 113.7(5)
C(41) B(30) C(61) 111.5(6)
C(51) B(30) C(61) 102.1(5)
B(30) C(31) C(32) 119.0(6)
B(30) C(31) C(36) 125.3(6)
C(32) C(31) C(36) 115.6(6)
C(31) C(32) C(33) 122.6(6)
C(32) C(33) C(34) 120.6(6)
C(32) C(33) C(37) 120.8(7)
C(34) C(33) C(37) 118.6(6)
C(33) C(34) C(35) 117.7(6)
C(34) C(35) C(36) 121.1(6)
C(34) C(35) C(38) 118.8(6)
C(36) C(35) C(38) 120.0(6)
C(31) C(36) C(35) 122.2(6)
C(33) C(37) F(31) 113.3(10)
C(33) C(37) F(32) 111.4(13)
C(33) C(37) F(33) 113.3(13)
C(33) C(37) F(31a) 109.8(13)
C(33) C(37) F(32a) 113.6(12)
C(33) C(37) F(33a) 116.4(13)
F(31) C(37) F(32) 109.1(19)
F(31) C(37) F(33) 107.5(19)
F(31) C(37) F(31a) 40(3)
F(31) C(37) F(32a) 77(3)
F(31) C(37) F(33a) 120.9(19)
F(32) C(37) F(33) 101.4(20)
F(32) C(37) F(31a) 136.8(21)
F(32) C(37) F(32a) 34(3)
F(32) C(37) F(33a) 80(3)
F(33) C(37) F(31a) 72(3)
F(33) C(37) F(32a) 125.4(24)
F(33) C(37) F(33a) 21(3)
F(31a) C(37) F(32a) 114(3)
F(31a) C(37) F(33a) 92(3)
F(32a) C(37) F(33a) 108(3)
C(35) C(38) F(34) 116.6(10)
C(35) C(38) F(35) 111.1(15)
C(35) C(38) F(36) 110.6(11)
C(35) C(38) F(34a) 111.4(15)
C(35) C(38) F(35a) 115.9(11)
C(35) C(38) F(36a) 110.9(11)
F(34) C(38) F(35) 107.9(22)
F(34) C(38) F(36) 108.2(20)
F(34) C(38) F(34a) 76(3)
F(34) C(38) F(35a) 121.1(17)
F(34) C(38) F(36a) 31.9(22)
F(35) C(38) F(36) 101.3(18)
F(35) C(38) F(34a) 35(3)
F(35) C(38) F(35a) 75(3)
F(35) C(38) F(36a) 133.1(18)
F(36) C(38) F(34a) 128.8(22)
F(36) C(38) F(35a) 26.3(24)
F(36) C(38) F(36a) 82.6(17)
F(34a) C(38) F(35a) 106(3)
F(34a) C(38) F(36a) 107.9(20)
F(35a) C(38) F(36a) 103.7(22)
B(30) C(41) C(42) 120.7(6)
B(30) C(41) C(46) 123.0(6)
C(42) C(41) C(46) 116.0(6)
C(41) C(42) C(43) 120.8(7)
C(42) C(43) C(44) 121.2(7)
C(42) C(43) C(47) 118.2(7)
C(44) C(43) C(47) 120.6(7)
C(43) C(44) C(45) 118.8(7)
C(44) C(45) C(46) 120.0(7)
C(44) C(45) C(48) 119.1(7)
C(46) C(45) C(48) 120.9(7)
C(41) C(46) C(45) 123.0(6)
C(43) C(47) F(41) 114.8(7)
C(43) C(47) F(42) 112.9(7)
C(43) C(47) F(43) 111.8(8)
F(41) C(47) F(42) 108.3(9)
F(41) C(47) F(43) 104.5(8)
F(42) C(47) F(43) 103.7(7)
C(45) C(48) F(44) 114.8(7)
C(45) C(48) F(45) 115.1(7)
C(45) C(48) F(46) 111.3(6)
F(44) C(48) F(45) 106.4(8)
F(44) C(48) F(46) 102.7(7)
F(45) C(48) F(46) 105.4(8)
B(30) C(51) C(52) 124.1(6)
B(30) C(51) C(56) 119.0(6)
C(52) C(51) C(56) 116.3(6)
C(51) C(52) C(53) 122.7(6)
C(52) C(53) C(54) 120.5(6)
C(52) C(53) C(57) 120.8(6)
C(54) C(53) C(57) 118.7(6)
C(53) C(54) C(55) 118.5(6)
C(54) C(55) C(56) 121.3(6)
C(54) C(55) C(58) 120.1(6)
C(56) C(55) C(58) 118.6(6)
C(51) C(56) C(55) 120.7(6)
C(53) C(57) F(51) 112.4(6)
C(53) C(57) F(52) 111.8(6)
C(53) C(57) F(53) 112.1(6)
F(51) C(57) F(52) 107.4(7)
F(51) C(57) F(53) 105.4(6)
F(52) C(57) F(53) 107.5(6)
C(55) C(58) F(54) 112.6(6)
C(55) C(58) F(55) 111.9(7)
C(55) C(58) F(56) 113.6(6)
F(54) C(58) F(55) 104.9(7)
F(54) C(58) F(56) 107.0(6)
F(55) C(58) F(56) 106.3(7)
B(30) C(61) C(62) 122.0(6)
B(30) C(61) C(66) 123.5(6)
C(62) C(61) C(66) 114.3(6)
C(61) C(62) C(63) 123.6(7)
C(62) C(63) C(64) 120.1(7)
C(62) C(63) C(67) 119.2(7)
C(64) C(63) C(67) 120.7(7)
C(63) C(64) C(65) 118.9(7)
C(64) C(65) C(66) 119.9(7)
C(64) C(65) C(68) 121.6(7)
C(66) C(65) C(68) 118.5(8)
C(61) C(66) C(65) 123.0(7)
C(63) C(67) F(61) 113.3(7)
C(63) C(67) F(62) 112.0(7)
C(63) C(67) F(63) 113.0(9)
F(61) C(67) F(62) 102.3(9)
F(61) C(67) F(63) 112.0(8)
F(62) C(67) F(63) 103.2(8)
C(65) C(68) F(64) 112.7(9)
C(65) C(68) F(65) 110.9(8)
C(65) C(68) F(66) 112.9(8)
F(64) C(68) F(65) 109.2(8)
F(64) C(68) F(66) 105.6(8)
F(65) C(68) F(66) 105.1(9)
C(37) F(31) F(32) 35.8(12)
C(37) F(31) F(33) 36.2(9)
C(37) F(31) F(31a) 68.4(19)
C(37) F(31) F(32a) 48.5(18)
C(37) F(31) F(33a) 28.1(10)
F(32) F(31) F(33) 57.2(12)
F(32) F(31) F(31a) 97.3(24)
F(32) F(31) F(32a) 15.9(20)
F(32) F(31) F(33a) 44.3(15)
F(33) F(31) F(31a) 40.4(21)
F(33) F(31) F(32a) 73.1(20)
F(33) F(31) F(33a) 12.9(14)
F(31a) F(31) F(32a) 113(3)
F(31a) F(31) F(33a) 53.3(23)
F(32a) F(31) F(33a) 60.2(22)
C(37) F(32) F(31) 35.1(9)
C(37) F(32) F(33) 38.9(13)
C(37) F(32) F(32a) 64.2(22)
C(37) F(32) F(33a) 46.3(14)
F(31) F(32) F(33) 60.4(13)
F(31) F(32) F(32a) 34.4(23)
F(31) F(32) F(33a) 68.9(14)
F(33) F(32) F(32a) 94(3)
F(33) F(32) F(33a) 8.5(14)
F(32a) F(32) F(33a) 103(3)
C(37) F(33) F(31) 36.3(12)
C(37) F(33) F(32) 39.7(10)
C(37) F(33) F(31a) 52.9(20)
C(37) F(33) F(33a) 66(3)
F(31) F(33) F(32) 62.4(12)
F(31) F(33) F(31a) 22.2(22)
F(31) F(33) F(33a) 91(4)
F(32) F(33) F(31a) 84.3(22)
F(32) F(33) F(33a) 29(4)
F(31a) F(33) F(33a) 113(5)
C(37) F(31a) F(31) 71(3)
C(37) F(31a) F(33) 54.2(15)
C(37) F(31a) F(32a) 31.7(19)
C(37) F(31a) F(33a) 41.8(16)
F(31) F(31a) F(33) 117(3)
F(31) F(31a) F(32a) 43(3)
F(31) F(31a) F(33a) 103(3)
F(33) F(31a) F(32a) 74.1(22)
F(33) F(31a) F(33a) 14.4(15)
F(32a) F(31a) F(33a) 59.7(23)
C(37) F(32a) F(31) 54.0(18)
C(37) F(32a) F(32) 81(4)
C(37) F(32a) F(31a) 33.9(18)
C(37) F(32a) F(33a) 35.5(17)
F(31) F(32a) F(32) 129(3)
F(31) F(32a) F(31a) 23.1(16)
F(31) F(32a) F(33a) 75.4(16)
F(32) F(32a) F(31a) 106(3)
F(32) F(32a) F(33a) 54(3)
F(31a) F(32a) F(33a) 52.4(19)
C(37) F(33a) F(31) 31.0(10)
C(37) F(33a) F(32) 53.4(17)
C(37) F(33a) F(33) 91(4)
C(37) F(33a) F(31a) 45.6(18)
C(37) F(33a) F(32a) 35.9(18)
F(31) F(33a) F(32) 66.8(14)
F(31) F(33a) F(33) 75(4)
F(31) F(33a) F(31a) 23.6(21)
F(31) F(33a) F(32a) 44.4(20)
F(32) F(33a) F(33) 141(5)
F(32) F(33a) F(31a) 90.2(23)
F(32) F(33a) F(32a) 22.4(19)
F(33) F(33a) F(31a) 51(4)
F(33) F(33a) F(32a) 119(5)
F(31a) F(33a) F(32a) 67(3)
C(38) F(34) F(35) 37.0(13)
C(38) F(34) F(36) 37.0(11)
C(38) F(34) F(34a) 51.6(18)
C(38) F(34) F(36a) 75.8(24)
F(35) F(34) F(36) 58.6(12)
F(35) F(34) F(34a) 19.2(19)
F(35) F(34) F(36a) 107.1(25)
F(36) F(34) F(34a) 77.7(18)
F(36) F(34) F(36a) 49.2(22)
F(34a) F(34) F(36a) 125(3)
C(38) F(35) F(34) 35.1(12)
C(38) F(35) F(36) 39.5(12)
C(38) F(35) F(34a) 68(3)
C(38) F(35) F(35a) 50.7(16)
F(34) F(35) F(36) 61.0(15)
F(34) F(35) F(34a) 40(3)
F(34) F(35) F(35a) 72.2(18)
F(36) F(35) F(34a) 101(3)
F(36) F(35) F(35a) 11.7(12)
F(34a) F(35) F(35a) 112(3)
C(38) F(36) F(34) 34.8(11)
C(38) F(36) F(35) 39.2(9)
C(38) F(36) F(35a) 70(3)
C(38) F(36) F(36a) 47.6(10)
F(34) F(36) F(35) 60.5(14)
F(34) F(36) F(35a) 91(3)
F(34) F(36) F(36a) 17.9(12)
F(35) F(36) F(35a) 32(3)
F(35) F(36) F(36a) 78.1(12)
F(35a) F(36) F(36a) 109(3)
C(38) F(34a) F(34) 51.5(15)
C(38) F(34a) F(35) 76(3)
C(38) F(34a) F(35a) 36.8(16)
C(38) F(34a) F(36a) 36.4(11)
F(34) F(34a) F(35) 120(4)
F(34) F(34a) F(35a) 74.2(19)
F(34) F(34a) F(36a) 16.1(14)
F(35) F(34a) F(35a) 46(3)
F(35) F(34a) F(36a) 104(4)
F(35a) F(34a) F(36a) 58.8(15)
C(38) F(35a) F(35) 53.9(18)
C(38) F(35a) F(36) 82(3)
C(38) F(35a) F(34a) 36.7(16)
C(38) F(35a) F(36a) 38.5(10)
F(35) F(35a) F(36) 135(3)
F(35) F(35a) F(34a) 21.3(15)
F(35) F(35a) F(36a) 82.7(15)
F(36) F(35a) F(34a) 114(3)
F(36) F(35a) F(36a) 54(3)
F(34a) F(35a) F(36a) 61.4(14)
C(38) F(36a) F(34) 72.3(21)
C(38) F(36a) F(36) 49.8(10)
C(38) F(36a) F(34a) 35.7(12)
C(38) F(36a) F(35a) 37.8(13)
F(34) F(36a) F(36) 113.0(24)
F(34) F(36a) F(34a) 38.4(22)
F(34) F(36a) F(35a) 96(3)
F(36) F(36a) F(34a) 75.8(16)
F(36) F(36a) F(35a) 16.2(15)
F(34a) F(36a) F(35a) 59.8(19)
C(47) F(41) F(42) 36.4(5)
C(47) F(41) F(43) 39.0(5)
F(42) F(41) F(43) 60.1(3)
C(47) F(42) F(41) 35.4(6)
C(47) F(42) F(43) 38.8(5)
F(41) F(42) F(43) 59.5(4)
C(47) F(43) F(41) 36.6(5)
C(47) F(43) F(42) 37.5(5)
F(41) F(43) F(42) 60.4(4)
C(48) F(44) F(45) 36.6(5)
C(48) F(44) F(46) 39.1(4)
F(45) F(44) F(46) 60.6(4)
C(48) F(45) F(44) 37.0(5)
C(48) F(45) F(46) 37.9(5)
F(44) F(45) F(46) 59.1(3)
C(48) F(46) F(44) 38.2(5)
C(48) F(46) F(45) 36.7(5)
F(44) F(46) F(45) 60.3(4)
C(57) F(51) F(52) 36.2(4)
C(57) F(51) F(53) 37.7(4)
F(52) F(51) F(53) 60.7(3)
C(57) F(52) F(51) 36.4(4)
C(57) F(52) F(53) 36.8(4)
F(51) F(52) F(53) 59.6(3)
C(57) F(53) F(51) 36.9(4)
C(57) F(53) F(52) 35.7(4)
F(51) F(53) F(52) 59.7(3)
C(58) F(54) F(55) 37.6(4)
C(58) F(54) F(56) 36.5(4)
F(55) F(54) F(56) 60.2(4)
C(58) F(55) F(54) 37.5(4)
C(58) F(55) F(56) 36.9(5)
F(54) F(55) F(56) 60.6(3)
C(58) F(56) F(54) 36.4(4)
C(58) F(56) F(55) 36.8(4)
F(54) F(56) F(55) 59.1(3)
C(67) F(61) F(62) 39.2(6)
C(67) F(61) F(63) 33.9(5)
F(62) F(61) F(63) 58.4(4)
C(67) F(62) F(61) 38.5(6)
C(67) F(62) F(63) 37.9(5)
F(61) F(62) F(63) 63.4(4)
C(67) F(63) F(61) 34.1(5)
C(67) F(63) F(62) 38.9(6)
F(61) F(63) F(62) 58.1(4)
C(68) F(64) F(65) 35.9(5)
C(68) F(64) F(66) 37.2(6)
F(65) F(64) F(66) 59.4(4)
C(68) F(65) F(64) 34.9(5)
C(68) F(65) F(66) 37.0(6)
F(64) F(65) F(66) 58.6(3)
C(68) F(66) F(64) 37.2(5)
C(68) F(66) F(65) 37.9(5)
F(64) F(66) F(65) 62.0(4)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Rh(1) P(1) 2.2512(19)
Rh(1) C(11) 2.243(7)
Rh(1) C(15) 2.214(7)
Rh(2) P(2) 2.2584(21)
Rh(2) C(22) 2.254(8)
Rh(2) C(23) 2.213(7)
P(1) C(1) 1.838(9)
P(1) C(2) 1.834(9)
P(1) C(3) 1.824(9)
P(2) C(4) 1.843(10)
P(2) C(5) 1.835(10)
P(2) C(6) 1.845(10)
C(11) C(12) 1.417(11)
C(11) C(15) 1.443(10)
C(11) C(16) 1.512(11)
C(12) C(13) 1.480(11)
C(12) C(17) 1.487(11)
C(13) C(14) 1.414(11)
C(13) C(18) 1.503(12)
C(14) C(15) 1.465(11)
C(14) C(19) 1.480(11)
C(15) C(20) 1.512(11)
C(21) C(22) 1.410(11)
C(21) C(25) 1.462(11)
C(21) C(26) 1.531(12)
C(22) C(23) 1.478(12)
C(22) C(27) 1.507(12)
C(23) C(24) 1.462(11)
C(23) C(28) 1.463(11)
C(24) C(25) 1.441(11)
C(24) C(29) 1.497(11)
C(25) C(30) 1.506(11)
B(30) C(31) 1.641(10)
B(30) C(41) 1.637(10)
B(30) C(51) 1.655(10)
B(30) C(61) 1.659(10)
C(31) C(32) 1.409(10)
C(31) C(36) 1.406(10)
C(32) C(33) 1.389(10)
C(33) C(34) 1.416(10)
C(33) C(37) 1.522(10)
C(34) C(35) 1.381(10)
C(35) C(36) 1.406(9)
C(35) C(38) 1.527(10)
C(37) F(31) 1.310(19)
C(37) F(32) 1.331(22)
C(37) F(33) 1.308(20)
C(37) F(31a) 1.29(3)
C(37) F(32a) 1.212(24)
C(37) F(33a) 1.199(25)
C(38) F(34) 1.262(20)
C(38) F(35) 1.32(3)
C(38) F(36) 1.329(17)
C(38) F(34a) 1.26(3)
C(38) F(35a) 1.266(23)
C(38) F(36a) 1.284(18)
C(41) C(42) 1.415(10)
C(41) C(46) 1.401(10)
C(42) C(43) 1.418(10)
C(43) C(44) 1.367(11)
C(43) C(47) 1.514(11)
C(44) C(45) 1.403(11)
C(45) C(46) 1.386(10)
C(45) C(48) 1.495(11)
C(47) F(41) 1.288(11)
C(47) F(42) 1.319(11)
C(47) F(43) 1.359(11)
C(48) F(44) 1.309(10)
C(48) F(45) 1.300(10)
C(48) F(46) 1.336(10)
C(51) C(52) 1.392(10)
C(51) C(56) 1.429(10)
C(52) C(53) 1.411(10)
C(53) C(54) 1.390(10)
C(53) C(57) 1.516(9)
C(54) C(55) 1.392(9)
C(55) C(56) 1.415(9)
C(55) C(58) 1.506(10)
C(57) F(51) 1.336(10)
C(57) F(52) 1.329(9)
C(57) F(53) 1.363(9)
C(58) F(54) 1.328(9)
C(58) F(55) 1.330(10)
C(58) F(56) 1.332(10)
C(61) C(62) 1.415(10)
C(61) C(66) 1.405(10)
C(62) C(63) 1.393(10)
C(63) C(64) 1.387(12)
C(63) C(67) 1.514(12)
C(64) C(65) 1.392(13)
C(65) C(66) 1.410(10)
C(65) C(68) 1.512(13)
C(67) F(61) 1.320(12)
C(67) F(62) 1.340(13)
C(67) F(63) 1.311(11)
C(68) F(64) 1.328(11)
C(68) F(65) 1.358(12)
C(68) F(66) 1.330(14)
F(31) F(32) 2.15(3)
F(31) F(33) 2.11(3)
F(31) F(31a) 0.90(7)
F(31) F(32a) 1.58(6)
F(31) F(33a) 2.18(3)
F(32) F(33) 2.04(3)
F(32) F(32a) 0.77(7)
F(32) F(33a) 1.64(5)
F(33) F(31a) 1.54(5)
F(33) F(33a) 0.49(5)
F(31a) F(32a) 2.10(5)
F(31a) F(33a) 1.80(4)
F(32a) F(33a) 1.96(5)
F(34) F(35) 2.09(4)
F(34) F(36) 2.10(3)
F(34) F(34a) 1.57(5)
F(34) F(36a) 0.70(5)
F(35) F(36) 2.05(4)
F(35) F(34a) 0.80(6)
F(35) F(35a) 1.58(6)
F(36) F(35a) 0.59(5)
F(36) F(36a) 1.72(3)
F(34a) F(35a) 2.03(5)
F(34a) F(36a) 2.06(3)
F(35a) F(36a) 2.01(3)
F(41) F(42) 2.112(12)
F(41) F(43) 2.093(11)
F(42) F(43) 2.106(9)
F(44) F(45) 2.089(11)
F(44) F(46) 2.066(9)
F(45) F(46) 2.097(11)
F(51) F(52) 2.148(8)
F(51) F(53) 2.146(8)
F(52) F(53) 2.171(7)
F(54) F(55) 2.106(10)
F(54) F(56) 2.138(7)
F(55) F(56) 2.129(10)
F(61) F(62) 2.072(10)
F(61) F(63) 2.181(11)
F(62) F(63) 2.078(11)
F(64) F(65) 2.189(11)
F(64) F(66) 2.116(9)
F(65) F(66) 2.134(11)
