#------------------------------------------------------------------------------
#$Date: 2019-11-24 07:59:05 +0200 (Sun, 24 Nov 2019) $
#$Revision: 237215 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/08/80/4088016.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_4088016
loop_
_publ_author_name
'Eleazer, Bennett J.'
'Smith, Mark D.'
'Peryshkov, Dmitry V.'
_publ_section_title
;
 Metal- and Ligand-Centered Reactivity of meta-Carboranyl-Backbone Pincer
 Complexes of Rhodium
;
_journal_issue                   2
_journal_name_full               Organometallics
_journal_page_first              106
_journal_paper_doi               10.1021/acs.organomet.5b00807
_journal_volume                  35
_journal_year                    2016
_chemical_formula_moiety         'C32 H53 B10 Cl O2 P3 Rh, 0.5(C6 H14)'
_chemical_formula_sum            'C35 H60 B10 Cl O2 P3 Rh'
_chemical_formula_weight         852.20
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_audit_creation_date             2015-05-06
_audit_creation_method
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_cell_angle_alpha                96.422(2)
_cell_angle_beta                 102.344(2)
_cell_angle_gamma                107.322(2)
_cell_formula_units_Z            2
_cell_length_a                   10.2794(6)
_cell_length_b                   12.0368(6)
_cell_length_c                   18.2180(10)
_cell_measurement_reflns_used    9749
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.54
_cell_measurement_theta_min      2.30
_cell_volume                     2064.6(2)
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       'Bruker APEXII v2014.9-0 (Bruker, 2014)'
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XT (Sheldrick, 2015)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'Bruker PHOTON-100 area detector'
_diffrn_detector_area_resol_mean 10.4
_diffrn_detector_type            'CMOS area detector'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 Quest'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0551
_diffrn_reflns_av_unetI/netI     0.0209
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            119418
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        27.500
_diffrn_reflns_theta_max         27.568
_diffrn_reflns_theta_min         2.304
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_exptl_absorpt_coefficient_mu    0.627
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.7008
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2014/4 (Bruker,2014/4) was used for absorption correction.
wR2(int) was 0.0990 before and 0.0580 after correction.
The Ratio of minimum to maximum transmission is 0.9399.
The λ/2 correction factor is 0.00150.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.371
_exptl_crystal_description       plate
_exptl_crystal_F_000             886
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.765
_refine_diff_density_min         -0.749
_refine_diff_density_rms         0.080
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.100
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     482
_refine_ls_number_reflns         9540
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.100
_refine_ls_R_factor_all          0.0384
_refine_ls_R_factor_gt           0.0314
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0296P)²+3.4032P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0770
_refine_ls_wR_factor_ref         0.0801
_reflns_number_gt                8527
_reflns_number_total             9540
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            om5b00807_si_001.cif
_cod_data_source_block           be2_6_0m
_cod_database_code               4088016
_shelxl_version_number           2014/6
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.975
_shelx_estimated_absorpt_t_min   0.864
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 Rh1-H1
 1.5 with sigma of 0.02
3.a Ternary CH refined with riding coordinates:
 C11(H11), C14(H14), C21(H21), C24(H24)
3.b Secondary CH2 refined with riding coordinates:
 C62(H62A,H62B), C63(H63A,H63B)
3.c Aromatic/amide H refined with riding coordinates:
 C32(H32), C33(H33), C34(H34), C35(H35), C36(H36), C42(H42), C43(H43),
 C44(H44), C45(H45), C46(H46), C52(H52), C53(H53), C54(H54), C55(H55), C56(H56)
3.d Idealised Me refined as rotating group:
 C12(H12A,H12B,H12C), C13(H13A,H13B,H13C), C15(H15A,H15B,H15C), C16(H16A,H16B,
 H16C), C22(H22A,H22B,H22C), C23(H23A,H23B,H23C), C25(H25A,H25B,H25C), C26(H26A,
 H26B,H26C), C61(H61A,H61B,H61C)
3.e Boron cage BH refined with riding coordinates:
 B2(H2), B3(H3), B4(H4), B5(H5), B6(H6), B7(H7), B8(H8), B9(H9), B10(H10)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
Rh1 Rh 0.69229(2) 0.39725(2) 0.22461(2) 0.01105(5) Uani 1 1 d D
H1 H 0.791(3) 0.337(3) 0.2531(19) 0.047(10) Uiso 1 1 d D
Cl1 Cl 0.52395(6) 0.49708(5) 0.17003(3) 0.02225(12) Uani 1 1 d .
P1 P 0.73560(6) 0.45696(5) 0.35650(3) 0.01405(11) Uani 1 1 d .
P2 P 0.77749(6) 0.38623(5) 0.11703(3) 0.01343(11) Uani 1 1 d .
P3 P 0.49763(6) 0.20979(5) 0.19725(3) 0.01142(11) Uani 1 1 d .
O1 O 0.88846(16) 0.57289(14) 0.39033(8) 0.0155(3) Uani 1 1 d .
O2 O 0.94531(16) 0.47951(14) 0.13617(9) 0.0157(3) Uani 1 1 d .
C1 C 0.9523(2) 0.6207(2) 0.33575(12) 0.0146(4) Uani 1 1 d .
C2 C 0.9830(2) 0.5714(2) 0.19823(12) 0.0148(4) Uani 1 1 d .
C11 C 0.7865(3) 0.3625(2) 0.42267(13) 0.0197(5) Uani 1 1 d .
H11 H 0.8154 0.4109 0.4754 0.024 Uiso 1 1 calc R
C12 C 0.6620(3) 0.2535(2) 0.42081(14) 0.0272(6) Uani 1 1 d .
H12A H 0.5850 0.2786 0.4322 0.041 Uiso 1 1 calc GR
H12B H 0.6918 0.2088 0.4591 0.041 Uiso 1 1 calc GR
H12C H 0.6294 0.2032 0.3699 0.041 Uiso 1 1 calc GR
C13 C 0.9138(3) 0.3284(2) 0.41174(14) 0.0235(5) Uani 1 1 d .
H13A H 0.8900 0.2793 0.3609 0.035 Uiso 1 1 calc GR
H13B H 0.9396 0.2837 0.4510 0.035 Uiso 1 1 calc GR
H13C H 0.9936 0.4003 0.4163 0.035 Uiso 1 1 calc GR
C14 C 0.6161(3) 0.5110(2) 0.40221(13) 0.0221(5) Uani 1 1 d .
H14 H 0.5297 0.4409 0.3957 0.026 Uiso 1 1 calc R
C15 C 0.6754(3) 0.5579(3) 0.48877(15) 0.0341(7) Uani 1 1 d .
H15A H 0.6813 0.4920 0.5149 0.051 Uiso 1 1 calc GR
H15B H 0.6130 0.5950 0.5077 0.051 Uiso 1 1 calc GR
H15C H 0.7698 0.6166 0.4989 0.051 Uiso 1 1 calc GR
C16 C 0.5663(3) 0.6031(3) 0.36410(17) 0.0325(6) Uani 1 1 d .
H16A H 0.6422 0.6799 0.3794 0.049 Uiso 1 1 calc GR
H16B H 0.4835 0.6102 0.3800 0.049 Uiso 1 1 calc GR
H16C H 0.5414 0.5784 0.3084 0.049 Uiso 1 1 calc GR
C21 C 0.8115(2) 0.2487(2) 0.08736(13) 0.0181(5) Uani 1 1 d .
H21 H 0.7258 0.1817 0.0870 0.022 Uiso 1 1 calc R
C22 C 0.9348(3) 0.2371(2) 0.14662(14) 0.0232(5) Uani 1 1 d .
H22A H 1.0236 0.2931 0.1430 0.035 Uiso 1 1 calc GR
H22B H 0.9372 0.1561 0.1367 0.035 Uiso 1 1 calc GR
H22C H 0.9225 0.2547 0.1980 0.035 Uiso 1 1 calc GR
C23 C 0.8364(3) 0.2305(2) 0.00781(14) 0.0245(5) Uani 1 1 d .
H23A H 0.7536 0.2307 -0.0306 0.037 Uiso 1 1 calc GR
H23B H 0.8519 0.1544 -0.0025 0.037 Uiso 1 1 calc GR
H23C H 0.9196 0.2948 0.0055 0.037 Uiso 1 1 calc GR
C24 C 0.6948(2) 0.4392(2) 0.03379(13) 0.0205(5) Uani 1 1 d .
H24 H 0.6736 0.5095 0.0562 0.025 Uiso 1 1 calc R
C25 C 0.5520(3) 0.3508(2) -0.01032(14) 0.0252(5) Uani 1 1 d .
H25A H 0.5636 0.2759 -0.0295 0.038 Uiso 1 1 calc GR
H25B H 0.5113 0.3825 -0.0535 0.038 Uiso 1 1 calc GR
H25C H 0.4888 0.3370 0.0236 0.038 Uiso 1 1 calc GR
C26 C 0.7879(3) 0.4854(2) -0.01884(14) 0.0252(5) Uani 1 1 d .
H26A H 0.8802 0.5392 0.0121 0.038 Uiso 1 1 calc GR
H26B H 0.7428 0.5281 -0.0532 0.038 Uiso 1 1 calc GR
H26C H 0.8003 0.4186 -0.0491 0.038 Uiso 1 1 calc GR
C31 C 0.3741(2) 0.2075(2) 0.25717(12) 0.0151(4) Uani 1 1 d .
C32 C 0.3234(3) 0.1139(2) 0.29317(14) 0.0223(5) Uani 1 1 d .
H32 H 0.3528 0.0464 0.2874 0.027 Uiso 1 1 calc R
C33 C 0.2296(3) 0.1184(2) 0.33768(15) 0.0282(6) Uani 1 1 d .
H33 H 0.1955 0.0540 0.3620 0.034 Uiso 1 1 calc R
C34 C 0.1862(3) 0.2151(2) 0.34657(15) 0.0280(6) Uani 1 1 d .
H34 H 0.1211 0.2170 0.3762 0.034 Uiso 1 1 calc R
C35 C 0.2374(3) 0.3098(2) 0.31234(14) 0.0247(5) Uani 1 1 d .
H35 H 0.2083 0.3773 0.3192 0.030 Uiso 1 1 calc R
C36 C 0.3313(2) 0.3072(2) 0.26789(13) 0.0191(5) Uani 1 1 d .
H36 H 0.3665 0.3729 0.2448 0.023 Uiso 1 1 calc R
C41 C 0.3781(2) 0.16823(19) 0.10014(12) 0.0136(4) Uani 1 1 d .
C42 C 0.2681(3) 0.2134(2) 0.08076(14) 0.0216(5) Uani 1 1 d .
H42 H 0.2488 0.2616 0.1192 0.026 Uiso 1 1 calc R
C43 C 0.1861(3) 0.1886(3) 0.00571(15) 0.0269(5) Uani 1 1 d .
H43 H 0.1111 0.2197 -0.0066 0.032 Uiso 1 1 calc R
C44 C 0.2128(3) 0.1189(2) -0.05111(14) 0.0235(5) Uani 1 1 d .
H44 H 0.1564 0.1020 -0.1023 0.028 Uiso 1 1 calc R
C45 C 0.3223(3) 0.0743(2) -0.03270(13) 0.0214(5) Uani 1 1 d .
H45 H 0.3420 0.0271 -0.0715 0.026 Uiso 1 1 calc R
C46 C 0.4036(2) 0.0981(2) 0.04199(13) 0.0177(4) Uani 1 1 d .
H46 H 0.4780 0.0661 0.0540 0.021 Uiso 1 1 calc R
C51 C 0.5376(2) 0.07199(19) 0.20515(12) 0.0141(4) Uani 1 1 d .
C52 C 0.4313(2) -0.0392(2) 0.18023(12) 0.0164(4) Uani 1 1 d .
H52 H 0.3368 -0.0438 0.1587 0.020 Uiso 1 1 calc R
C53 C 0.4628(3) -0.1422(2) 0.18674(13) 0.0208(5) Uani 1 1 d .
H53 H 0.3896 -0.2167 0.1704 0.025 Uiso 1 1 calc R
C54 C 0.6003(3) -0.1375(2) 0.21683(14) 0.0238(5) Uani 1 1 d .
H54 H 0.6216 -0.2086 0.2205 0.029 Uiso 1 1 calc R
C55 C 0.7067(3) -0.0287(2) 0.24155(14) 0.0231(5) Uani 1 1 d .
H55 H 0.8012 -0.0251 0.2625 0.028 Uiso 1 1 calc R
C56 C 0.6756(2) 0.0753(2) 0.23575(12) 0.0172(4) Uani 1 1 d .
H56 H 0.7491 0.1496 0.2529 0.021 Uiso 1 1 calc R
B1 B 0.8541(3) 0.5554(2) 0.24513(13) 0.0132(5) Uani 1 1 d .
B2 B 1.0207(3) 0.5349(2) 0.28561(14) 0.0148(5) Uani 1 1 d .
H2 H 1.0259 0.4462 0.2963 0.018 Uiso 1 1 calc R
B3 B 0.8933(3) 0.6716(2) 0.19177(15) 0.0171(5) Uani 1 1 d .
H3 H 0.8145 0.6741 0.1395 0.021 Uiso 1 1 calc R
B4 B 0.8731(3) 0.7038(2) 0.28362(15) 0.0172(5) Uani 1 1 d .
H4 H 0.7805 0.7281 0.2936 0.021 Uiso 1 1 calc R
B5 B 1.1554(3) 0.6305(2) 0.25511(15) 0.0184(5) Uani 1 1 d .
H5 H 1.2472 0.6057 0.2441 0.022 Uiso 1 1 calc R
B6 B 1.0769(3) 0.7152(2) 0.19689(15) 0.0197(5) Uani 1 1 d .
H6 H 1.1182 0.7453 0.1478 0.024 Uiso 1 1 calc R
B7 B 1.0099(3) 0.8025(2) 0.25475(16) 0.0213(5) Uani 1 1 d .
H7 H 1.0085 0.8925 0.2450 0.026 Uiso 1 1 calc R
B8 B 1.0438(3) 0.7689(2) 0.34852(15) 0.0197(5) Uani 1 1 d .
H8 H 1.0630 0.8351 0.4013 0.024 Uiso 1 1 calc R
B9 B 1.1344(3) 0.6641(2) 0.34918(15) 0.0187(5) Uani 1 1 d .
H9 H 1.2122 0.6619 0.4020 0.022 Uiso 1 1 calc R
B10 B 1.1710(3) 0.7774(2) 0.29445(15) 0.0201(5) Uani 1 1 d .
H10 H 1.2750 0.8507 0.3106 0.024 Uiso 1 1 calc R
C61 C 0.2422(7) 0.0656(5) 0.5499(3) 0.0961(18) Uani 1 1 d .
H61A H 0.2284 0.1162 0.5125 0.144 Uiso 1 1 calc GR
H61B H 0.2273 0.0979 0.5981 0.144 Uiso 1 1 calc GR
H61C H 0.1747 -0.0146 0.5301 0.144 Uiso 1 1 calc GR
C62 C 0.3978(6) 0.0611(4) 0.5646(3) 0.0815(16) Uani 1 1 d .
H62A H 0.4655 0.1425 0.5839 0.098 Uiso 1 1 calc R
H62B H 0.4128 0.0135 0.6046 0.098 Uiso 1 1 calc R
C63 C 0.4271(5) 0.0081(4) 0.4933(2) 0.0782(16) Uani 1 1 d .
H63A H 0.4201 0.0599 0.4551 0.094 Uiso 1 1 calc R
H63B H 0.3534 -0.0700 0.4713 0.094 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'
Cl Cl 0.1484 0.1585 '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'
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
Cl1 Rh1 H1 177.4(14) . .
P1 Rh1 H1 79.2(14) . .
P1 Rh1 Cl1 103.37(2) . .
P1 Rh1 P3 102.76(2) . .
P2 Rh1 H1 83.6(14) . .
P2 Rh1 Cl1 93.95(2) . .
P2 Rh1 P1 149.32(2) . .
P2 Rh1 P3 102.37(2) . .
P3 Rh1 H1 89.7(14) . .
P3 Rh1 Cl1 89.94(2) . .
B1 Rh1 H1 91.2(14) . .
B1 Rh1 Cl1 89.14(7) . .
B1 Rh1 P1 78.37(7) . .
B1 Rh1 P2 76.76(7) . .
B1 Rh1 P3 178.68(7) . .
O1 P1 Rh1 110.24(6) . .
O1 P1 C11 95.32(9) . .
O1 P1 C14 100.96(10) . .
C11 P1 Rh1 120.31(8) . .
C11 P1 C14 101.03(11) . .
C14 P1 Rh1 123.90(8) . .
O2 P2 Rh1 110.34(6) . .
O2 P2 C21 97.50(9) . .
O2 P2 C24 99.85(10) . .
C21 P2 Rh1 116.58(8) . .
C21 P2 C24 111.51(11) . .
C24 P2 Rh1 117.64(8) . .
C31 P3 Rh1 113.53(7) . .
C31 P3 C41 101.81(10) . .
C41 P3 Rh1 116.13(7) . .
C51 P3 Rh1 119.13(7) . .
C51 P3 C31 103.63(10) . .
C51 P3 C41 100.25(10) . .
C1 O1 P1 116.20(13) . .
C2 O2 P2 114.54(13) . .
O1 C1 B1 112.11(17) . .
O1 C1 B2 117.10(18) . .
O1 C1 B4 116.53(18) . .
O1 C1 B8 121.77(18) . .
O1 C1 B9 121.60(18) . .
B1 C1 B2 64.48(14) . .
B1 C1 B4 62.97(14) . .
B1 C1 B8 115.40(17) . .
B1 C1 B9 115.59(17) . .
B2 C1 B4 114.80(17) . .
B2 C1 B8 112.60(18) . .
B2 C1 B9 61.11(14) . .
B4 C1 B8 62.75(15) . .
B4 C1 B9 114.05(18) . .
B8 C1 B9 61.90(15) . .
O2 C2 B1 111.51(17) . .
O2 C2 B2 115.66(18) . .
O2 C2 B3 117.45(18) . .
O2 C2 B5 121.10(19) . .
O2 C2 B6 122.88(18) . .
B1 C2 B3 63.01(14) . .
B1 C2 B5 115.96(17) . .
B1 C2 B6 115.23(18) . .
B2 C2 B1 64.58(14) . .
B2 C2 B3 114.97(17) . .
B2 C2 B5 61.43(14) . .
B2 C2 B6 112.95(17) . .
B3 C2 B5 114.08(18) . .
B6 C2 B3 62.36(15) . .
B6 C2 B5 62.12(15) . .
P1 C11 H11 106.4 . .
C12 C11 P1 112.06(17) . .
C12 C11 H11 106.4 . .
C12 C11 C13 111.4(2) . .
C13 C11 P1 113.68(16) . .
C13 C11 H11 106.4 . .
C11 C12 H12A 109.5 . .
C11 C12 H12B 109.5 . .
C11 C12 H12C 109.5 . .
H12A C12 H12B 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C11 C13 H13A 109.5 . .
C11 C13 H13B 109.5 . .
C11 C13 H13C 109.5 . .
H13A C13 H13B 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
P1 C14 H14 106.3 . .
C15 C14 P1 114.03(18) . .
C15 C14 H14 106.3 . .
C16 C14 P1 113.62(17) . .
C16 C14 H14 106.3 . .
C16 C14 C15 109.5(2) . .
C14 C15 H15A 109.5 . .
C14 C15 H15B 109.5 . .
C14 C15 H15C 109.5 . .
H15A C15 H15B 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C14 C16 H16A 109.5 . .
C14 C16 H16B 109.5 . .
C14 C16 H16C 109.5 . .
H16A C16 H16B 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
P2 C21 H21 106.7 . .
C22 C21 P2 110.51(16) . .
C22 C21 H21 106.7 . .
C23 C21 P2 116.19(17) . .
C23 C21 H21 106.7 . .
C23 C21 C22 109.4(2) . .
C21 C22 H22A 109.5 . .
C21 C22 H22B 109.5 . .
C21 C22 H22C 109.5 . .
H22A C22 H22B 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C21 C23 H23A 109.5 . .
C21 C23 H23B 109.5 . .
C21 C23 H23C 109.5 . .
H23A C23 H23B 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
P2 C24 H24 105.0 . .
C25 C24 P2 112.02(17) . .
C25 C24 H24 105.0 . .
C25 C24 C26 112.3(2) . .
C26 C24 P2 116.29(17) . .
C26 C24 H24 105.0 . .
C24 C25 H25A 109.5 . .
C24 C25 H25B 109.5 . .
C24 C25 H25C 109.5 . .
H25A C25 H25B 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
C24 C26 H26A 109.5 . .
C24 C26 H26B 109.5 . .
C24 C26 H26C 109.5 . .
H26A C26 H26B 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
C32 C31 P3 123.65(18) . .
C32 C31 C36 118.7(2) . .
C36 C31 P3 117.65(17) . .
C31 C32 H32 119.8 . .
C31 C32 C33 120.4(2) . .
C33 C32 H32 119.8 . .
C32 C33 H33 119.7 . .
C34 C33 C32 120.5(3) . .
C34 C33 H33 119.7 . .
C33 C34 H34 120.1 . .
C33 C34 C35 119.9(2) . .
C35 C34 H34 120.1 . .
C34 C35 H35 119.7 . .
C34 C35 C36 120.5(2) . .
C36 C35 H35 119.7 . .
C31 C36 H36 120.0 . .
C35 C36 C31 120.0(2) . .
C35 C36 H36 120.0 . .
C42 C41 P3 121.51(17) . .
C42 C41 C46 118.0(2) . .
C46 C41 P3 120.26(17) . .
C41 C42 H42 119.7 . .
C43 C42 C41 120.6(2) . .
C43 C42 H42 119.7 . .
C42 C43 H43 119.7 . .
C44 C43 C42 120.6(2) . .
C44 C43 H43 119.7 . .
C43 C44 H44 120.3 . .
C45 C44 C43 119.3(2) . .
C45 C44 H44 120.3 . .
C44 C45 H45 119.8 . .
C44 C45 C46 120.3(2) . .
C46 C45 H45 119.8 . .
C41 C46 H46 119.4 . .
C45 C46 C41 121.1(2) . .
C45 C46 H46 119.4 . .
C52 C51 P3 121.34(17) . .
C56 C51 P3 120.53(17) . .
C56 C51 C52 118.1(2) . .
C51 C52 H52 119.6 . .
C53 C52 C51 120.7(2) . .
C53 C52 H52 119.6 . .
C52 C53 H53 119.7 . .
C52 C53 C54 120.5(2) . .
C54 C53 H53 119.7 . .
C53 C54 H54 120.2 . .
C53 C54 C55 119.7(2) . .
C55 C54 H54 120.2 . .
C54 C55 H55 119.9 . .
C54 C55 C56 120.1(2) . .
C56 C55 H55 119.9 . .
C51 C56 H56 119.6 . .
C55 C56 C51 120.9(2) . .
C55 C56 H56 119.6 . .
C1 B1 Rh1 120.66(15) . .
C1 B1 C2 100.63(17) . .
C1 B1 B2 57.81(13) . .
C1 B1 B3 103.67(17) . .
C1 B1 B4 58.85(14) . .
C2 B1 Rh1 120.58(15) . .
C2 B1 B2 57.55(13) . .
C2 B1 B3 59.07(14) . .
C2 B1 B4 103.72(17) . .
B2 B1 Rh1 109.77(15) . .
B3 B1 Rh1 133.09(16) . .
B3 B1 B2 106.20(17) . .
B4 B1 Rh1 133.17(16) . .
B4 B1 B2 106.19(17) . .
B4 B1 B3 58.52(14) . .
C1 B2 B1 57.71(13) . .
C1 B2 H2 125.2 . .
C1 B2 B5 107.24(18) . .
C1 B2 B9 60.59(14) . .
C2 B2 C1 100.80(17) . .
C2 B2 B1 57.87(13) . .
C2 B2 H2 125.2 . .
C2 B2 B5 60.50(14) . .
C2 B2 B9 107.10(18) . .
B1 B2 H2 121.5 . .
B5 B2 B1 109.61(18) . .
B5 B2 H2 120.0 . .
B9 B2 B1 109.53(18) . .
B9 B2 H2 120.1 . .
B9 B2 B5 61.41(15) . .
C2 B3 B1 57.92(13) . .
C2 B3 H3 125.3 . .
C2 B3 B4 104.38(17) . .
C2 B3 B6 58.74(14) . .
C2 B3 B7 104.93(18) . .
B1 B3 H3 121.3 . .
B4 B3 B1 60.53(14) . .
B4 B3 H3 122.0 . .
B4 B3 B6 108.59(19) . .
B4 B3 B7 60.49(15) . .
B6 B3 B1 107.97(18) . .
B6 B3 H3 121.2 . .
B7 B3 B1 108.95(18) . .
B7 B3 H3 121.7 . .
B7 B3 B6 60.38(16) . .
C1 B4 B1 58.18(13) . .
C1 B4 B3 105.03(18) . .
C1 B4 H4 125.0 . .
C1 B4 B7 105.16(19) . .
C1 B4 B8 58.67(14) . .
B1 B4 H4 121.1 . .
B1 B4 B8 108.04(18) . .
B3 B4 B1 60.95(14) . .
B3 B4 H4 121.8 . .
B3 B4 B7 60.37(15) . .
B3 B4 B8 108.58(19) . .
B7 B4 B1 109.19(19) . .
B7 B4 H4 121.7 . .
B7 B4 B8 60.36(15) . .
B8 B4 H4 121.4 . .
C2 B5 B2 58.07(13) . .
C2 B5 H5 125.4 . .
C2 B5 B6 58.41(14) . .
C2 B5 B9 103.56(17) . .
C2 B5 B10 104.03(19) . .
B2 B5 H5 122.4 . .
B2 B5 B6 107.11(18) . .
B2 B5 B9 59.20(14) . .
B2 B5 B10 106.78(19) . .
B6 B5 H5 121.5 . .
B6 B5 B9 107.71(19) . .
B9 B5 H5 122.9 . .
B10 B5 H5 122.7 . .
B10 B5 B6 60.21(15) . .
B10 B5 B9 59.71(15) . .
C2 B6 B3 58.90(14) . .
C2 B6 B5 59.47(14) . .
C2 B6 H6 124.7 . .
C2 B6 B7 104.31(18) . .
C2 B6 B10 104.47(18) . .
B3 B6 B5 109.04(18) . .
B3 B6 H6 121.4 . .
B3 B6 B7 59.41(15) . .
B3 B6 B10 107.64(19) . .
B5 B6 H6 120.8 . .
B5 B6 B7 108.32(19) . .
B5 B6 B10 59.74(15) . .
B7 B6 H6 122.6 . .
B7 B6 B10 60.07(16) . .
B10 B6 H6 122.7 . .
B3 B7 B4 59.14(15) . .
B3 B7 B6 60.21(15) . .
B3 B7 H7 121.9 . .
B3 B7 B8 107.48(18) . .
B3 B7 B10 108.25(19) . .
B4 B7 B6 107.39(19) . .
B4 B7 H7 122.0 . .
B4 B7 B8 60.20(15) . .
B4 B7 B10 108.13(19) . .
B6 B7 H7 121.9 . .
B6 B7 B8 107.60(19) . .
B6 B7 B10 60.03(16) . .
B8 B7 H7 121.9 . .
B8 B7 B10 59.94(15) . .
B10 B7 H7 121.4 . .
C1 B8 B4 58.58(14) . .
C1 B8 B7 104.38(18) . .
C1 B8 H8 124.5 . .
C1 B8 B9 59.84(14) . .
C1 B8 B10 104.92(18) . .
B4 B8 B7 59.44(15) . .
B4 B8 H8 121.6 . .
B4 B8 B10 107.63(18) . .
B7 B8 H8 122.6 . .
B9 B8 B4 108.93(18) . .
B9 B8 B7 108.36(19) . .
B9 B8 H8 120.7 . .
B9 B8 B10 59.81(15) . .
B10 B8 B7 60.07(16) . .
B10 B8 H8 122.6 . .
C1 B9 B2 58.30(14) . .
C1 B9 B5 103.95(17) . .
C1 B9 B8 58.26(14) . .
C1 B9 H9 125.3 . .
C1 B9 B10 104.11(18) . .
B2 B9 B5 59.39(14) . .
B2 B9 B8 107.27(18) . .
B2 B9 H9 122.2 . .
B2 B9 B10 107.02(18) . .
B5 B9 H9 122.6 . .
B8 B9 B5 108.00(19) . .
B8 B9 H9 121.5 . .
B10 B9 B5 59.83(15) . .
B10 B9 B8 60.31(16) . .
B10 B9 H9 122.6 . .
B5 B10 B6 60.06(15) . .
B5 B10 B7 108.45(18) . .
B5 B10 B8 108.16(18) . .
B5 B10 H10 121.3 . .
B6 B10 B7 59.91(16) . .
B6 B10 H10 121.9 . .
B7 B10 H10 121.5 . .
B8 B10 B6 107.55(19) . .
B8 B10 B7 59.99(16) . .
B8 B10 H10 122.0 . .
B9 B10 B5 60.47(15) . .
B9 B10 B6 108.18(18) . .
B9 B10 B7 108.35(19) . .
B9 B10 B8 59.88(15) . .
B9 B10 H10 121.4 . .
H61A C61 H61B 109.5 . .
H61A C61 H61C 109.5 . .
H61B C61 H61C 109.5 . .
C62 C61 H61A 109.5 . .
C62 C61 H61B 109.5 . .
C62 C61 H61C 109.5 . .
C61 C62 H62A 109.1 . .
C61 C62 H62B 109.1 . .
H62A C62 H62B 107.8 . .
C63 C62 C61 112.5(4) . .
C63 C62 H62A 109.1 . .
C63 C62 H62B 109.1 . .
C62 C63 C63 114.1(5) . 2_656
C62 C63 H63A 108.7 . .
C62 C63 H63B 108.7 . .
C63 C63 H63A 108.7 2_656 .
C63 C63 H63B 108.7 2_656 .
H63A C63 H63B 107.6 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh1 H1 1.459(18) .
Rh1 Cl1 2.4894(6) .
Rh1 P1 2.3354(6) .
Rh1 P2 2.3176(6) .
Rh1 P3 2.4448(6) .
Rh1 B1 2.054(2) .
P1 O1 1.6982(16) .
P1 C11 1.846(2) .
P1 C14 1.849(2) .
P2 O2 1.6912(16) .
P2 C21 1.838(2) .
P2 C24 1.849(2) .
P3 C31 1.840(2) .
P3 C41 1.843(2) .
P3 C51 1.837(2) .
O1 C1 1.390(3) .
O2 C2 1.389(3) .
C1 B1 1.699(3) .
C1 B2 1.701(3) .
C1 B4 1.711(3) .
C1 B8 1.713(3) .
C1 B9 1.742(3) .
C2 B1 1.701(3) .
C2 B2 1.695(3) .
C2 B3 1.722(3) .
C2 B5 1.738(3) .
C2 B6 1.719(3) .
C11 H11 1.0000 .
C11 C12 1.527(3) .
C11 C13 1.528(4) .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
C14 H14 1.0000 .
C14 C15 1.537(3) .
C14 C16 1.527(4) .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C21 H21 1.0000 .
C21 C22 1.532(3) .
C21 C23 1.528(3) .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C24 H24 1.0000 .
C24 C25 1.519(3) .
C24 C26 1.529(3) .
C25 H25A 0.9800 .
C25 H25B 0.9800 .
C25 H25C 0.9800 .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C31 C32 1.390(3) .
C31 C36 1.404(3) .
C32 H32 0.9500 .
C32 C33 1.395(3) .
C33 H33 0.9500 .
C33 C34 1.370(4) .
C34 H34 0.9500 .
C34 C35 1.381(4) .
C35 H35 0.9500 .
C35 C36 1.391(3) .
C36 H36 0.9500 .
C41 C42 1.392(3) .
C41 C46 1.398(3) .
C42 H42 0.9500 .
C42 C43 1.391(3) .
C43 H43 0.9500 .
C43 C44 1.384(4) .
C44 H44 0.9500 .
C44 C45 1.381(4) .
C45 H45 0.9500 .
C45 C46 1.384(3) .
C46 H46 0.9500 .
C51 C52 1.405(3) .
C51 C56 1.395(3) .
C52 H52 0.9500 .
C52 C53 1.382(3) .
C53 H53 0.9500 .
C53 C54 1.384(4) .
C54 H54 0.9500 .
C54 C55 1.386(4) .
C55 H55 0.9500 .
C55 C56 1.391(3) .
C56 H56 0.9500 .
B1 B2 1.814(4) .
B1 B3 1.789(4) .
B1 B4 1.781(4) .
B2 H2 1.1200 .
B2 B5 1.754(4) .
B2 B9 1.750(4) .
B3 H3 1.1200 .
B3 B4 1.745(4) .
B3 B6 1.781(4) .
B3 B7 1.767(4) .
B4 H4 1.1200 .
B4 B7 1.769(4) .
B4 B8 1.783(4) .
B5 H5 1.1200 .
B5 B6 1.784(4) .
B5 B9 1.789(4) .
B5 B10 1.778(4) .
B6 H6 1.1200 .
B6 B7 1.784(4) .
B6 B10 1.786(4) .
B7 H7 1.1200 .
B7 B8 1.786(4) .
B7 B10 1.787(4) .
B8 H8 1.1200 .
B8 B9 1.777(4) .
B8 B10 1.785(4) .
B9 H9 1.1200 .
B9 B10 1.776(4) .
B10 H10 1.1200 .
C61 H61A 0.9800 .
C61 H61B 0.9800 .
C61 H61C 0.9800 .
C61 C62 1.582(8) .
C62 H62A 0.9900 .
C62 H62B 0.9900 .
C62 C63 1.511(7) .
C63 C63 1.540(10) 2_656
C63 H63A 0.9900 .
C63 H63B 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_4
Rh1 P1 O1 C1 6.94(16) .
Rh1 P1 C11 C12 -73.58(19) .
Rh1 P1 C11 C13 53.79(19) .
Rh1 P1 C14 C15 -173.57(17) .
Rh1 P1 C14 C16 -47.1(2) .
Rh1 P2 O2 C2 -21.68(16) .
Rh1 P2 C21 C22 -67.40(17) .
Rh1 P2 C21 C23 167.16(15) .
Rh1 P2 C24 C25 -76.56(19) .
Rh1 P2 C24 C26 152.46(16) .
Rh1 P3 C31 C32 -134.31(18) .
Rh1 P3 C31 C36 44.48(19) .
Rh1 P3 C41 C42 -82.6(2) .
Rh1 P3 C41 C46 91.81(18) .
Rh1 P3 C51 C52 -171.26(15) .
Rh1 P3 C51 C56 8.2(2) .
Rh1 B1 B2 C1 -114.46(16) .
Rh1 B1 B2 C2 114.34(16) .
Rh1 B1 B2 B5 147.09(15) .
Rh1 B1 B2 B9 -147.28(15) .
Rh1 B1 B3 C2 -104.6(2) .
Rh1 B1 B3 B4 121.7(2) .
Rh1 B1 B3 B6 -136.66(19) .
Rh1 B1 B3 B7 159.32(18) .
Rh1 B1 B4 C1 104.5(2) .
Rh1 B1 B4 B3 -121.6(2) .
Rh1 B1 B4 B7 -159.21(18) .
Rh1 B1 B4 B8 136.73(19) .
P1 O1 C1 B1 3.6(2) .
P1 O1 C1 B2 -68.1(2) .
P1 O1 C1 B4 73.4(2) .
P1 O1 C1 B8 146.38(17) .
P1 O1 C1 B9 -139.26(17) .
P2 O2 C2 B1 6.8(2) .
P2 O2 C2 B2 78.0(2) .
P2 O2 C2 B3 -63.0(2) .
P2 O2 C2 B5 148.75(16) .
P2 O2 C2 B6 -136.34(18) .
P3 C31 C32 C33 -179.89(19) .
P3 C31 C36 C35 179.66(18) .
P3 C41 C42 C43 174.8(2) .
P3 C41 C46 C45 -174.40(18) .
P3 C51 C52 C53 -179.80(17) .
P3 C51 C56 C55 -179.66(17) .
O1 P1 C11 C12 169.24(18) .
O1 P1 C11 C13 -63.39(18) .
O1 P1 C14 C15 -49.9(2) .
O1 P1 C14 C16 76.6(2) .
O1 C1 B1 Rh1 -15.3(3) .
O1 C1 B1 C2 -150.79(18) .
O1 C1 B1 B2 -110.5(2) .
O1 C1 B1 B3 148.72(18) .
O1 C1 B1 B4 109.5(2) .
O1 C1 B2 C2 143.40(18) .
O1 C1 B2 B1 103.0(2) .
O1 C1 B2 B5 -154.36(18) .
O1 C1 B2 B9 -112.9(2) .
O1 C1 B4 B1 -102.6(2) .
O1 C1 B4 B3 -143.25(19) .
O1 C1 B4 B7 153.99(18) .
O1 C1 B4 B8 113.9(2) .
O1 C1 B8 B4 -105.8(2) .
O1 C1 B8 B7 -145.3(2) .
O1 C1 B8 B9 111.6(2) .
O1 C1 B8 B10 152.42(19) .
O1 C1 B9 B2 105.8(2) .
O1 C1 B9 B5 145.4(2) .
O1 C1 B9 B8 -111.9(2) .
O1 C1 B9 B10 -152.74(19) .
O2 P2 C21 C22 49.86(17) .
O2 P2 C21 C23 -75.58(19) .
O2 P2 C24 C25 164.14(17) .
O2 P2 C24 C26 33.2(2) .
O2 C2 B1 Rh1 14.0(2) .
O2 C2 B1 C1 149.53(17) .
O2 C2 B1 B2 109.2(2) .
O2 C2 B1 B3 -110.8(2) .
O2 C2 B1 B4 -150.20(17) .
O2 C2 B2 C1 -143.19(18) .
O2 C2 B2 B1 -102.8(2) .
O2 C2 B2 B5 113.0(2) .
O2 C2 B2 B9 154.48(18) .
O2 C2 B3 B1 101.5(2) .
O2 C2 B3 B4 142.00(19) .
O2 C2 B3 B6 -114.7(2) .
O2 C2 B3 B7 -155.24(18) .
O2 C2 B5 B2 -104.3(2) .
O2 C2 B5 B6 113.5(2) .
O2 C2 B5 B9 -143.9(2) .
O2 C2 B5 B10 154.44(19) .
O2 C2 B6 B3 106.3(2) .
O2 C2 B6 B5 -110.7(2) .
O2 C2 B6 B7 146.2(2) .
O2 C2 B6 B10 -151.6(2) .
C1 B1 B2 C2 -131.20(18) .
C1 B1 B2 B5 -98.45(19) .
C1 B1 B2 B9 -32.82(16) .
C1 B1 B3 C2 94.34(18) .
C1 B1 B3 B4 -39.37(16) .
C1 B1 B3 B6 62.3(2) .
C1 B1 B3 B7 -1.8(2) .
C1 B1 B4 B3 133.93(19) .
C1 B1 B4 B7 96.3(2) .
C1 B1 B4 B8 32.25(16) .
C1 B2 B5 C2 -92.86(18) .
C1 B2 B5 B6 -59.8(2) .
C1 B2 B5 B9 41.01(17) .
C1 B2 B5 B10 3.5(2) .
C1 B2 B9 B5 -133.99(19) .
C1 B2 B9 B8 -32.92(16) .
C1 B2 B9 B10 -96.4(2) .
C1 B4 B7 B3 98.91(19) .
C1 B4 B7 B6 61.4(2) .
C1 B4 B7 B8 -39.28(17) .
C1 B4 B7 B10 -1.9(2) .
C1 B4 B8 B7 134.32(19) .
C1 B4 B8 B9 33.70(17) .
C1 B4 B8 B10 97.0(2) .
C1 B8 B9 B2 32.94(16) .
C1 B8 B9 B5 95.57(18) .
C1 B8 B9 B10 133.05(18) .
C1 B8 B10 B5 -3.0(2) .
C1 B8 B10 B6 60.4(2) .
C1 B8 B10 B7 98.23(19) .
C1 B8 B10 B9 -40.83(16) .
C1 B9 B10 B5 -98.12(18) .
C1 B9 B10 B6 -60.3(2) .
C1 B9 B10 B7 3.1(2) .
C1 B9 B10 B8 39.85(16) .
C2 B1 B2 C1 131.20(18) .
C2 B1 B2 B5 32.75(17) .
C2 B1 B2 B9 98.38(19) .
C2 B1 B3 B4 -133.71(18) .
C2 B1 B3 B6 -32.08(16) .
C2 B1 B3 B7 -96.1(2) .
C2 B1 B4 C1 -94.27(17) .
C2 B1 B4 B3 39.66(16) .
C2 B1 B4 B7 2.0(2) .
C2 B1 B4 B8 -62.0(2) .
C2 B2 B5 B6 33.10(17) .
C2 B2 B5 B9 133.88(19) .
C2 B2 B5 B10 96.35(19) .
C2 B2 B9 C1 92.96(18) .
C2 B2 B9 B5 -41.03(17) .
C2 B2 B9 B8 60.0(2) .
C2 B2 B9 B10 -3.4(2) .
C2 B3 B4 C1 0.1(2) .
C2 B3 B4 B1 -39.22(16) .
C2 B3 B4 B7 99.24(19) .
C2 B3 B4 B8 61.6(2) .
C2 B3 B6 B5 -33.29(17) .
C2 B3 B6 B7 -133.79(18) .
C2 B3 B6 B10 -96.57(19) .
C2 B3 B7 B4 -98.31(18) .
C2 B3 B7 B6 39.69(16) .
C2 B3 B7 B8 -61.0(2) .
C2 B3 B7 B10 2.3(2) .
C2 B5 B6 B3 33.07(17) .
C2 B5 B6 B7 96.15(19) .
C2 B5 B6 B10 132.85(19) .
C2 B5 B9 C1 -0.1(2) .
C2 B5 B9 B2 39.00(16) .
C2 B5 B9 B8 -60.8(2) .
C2 B5 B9 B10 -98.51(19) .
C2 B5 B10 B6 -40.07(16) .
C2 B5 B10 B7 -3.4(2) .
C2 B5 B10 B8 60.1(2) .
C2 B5 B10 B9 97.69(18) .
C2 B6 B7 B3 -39.64(16) .
C2 B6 B7 B4 -2.6(2) .
C2 B6 B7 B8 60.8(2) .
C2 B6 B7 B10 98.67(19) .
C2 B6 B10 B5 40.71(17) .
C2 B6 B10 B7 -98.4(2) .
C2 B6 B10 B8 -60.5(2) .
C2 B6 B10 B9 2.7(2) .
C11 P1 O1 C1 132.01(16) .
C11 P1 C14 C15 47.8(2) .
C11 P1 C14 C16 174.29(19) .
C14 P1 O1 C1 -125.66(16) .
C14 P1 C11 C12 66.96(19) .
C14 P1 C11 C13 -165.67(17) .
C21 P2 O2 C2 -143.70(16) .
C21 P2 C24 C25 62.0(2) .
C21 P2 C24 C26 -69.0(2) .
C24 P2 O2 C2 102.83(16) .
C24 P2 C21 C22 153.59(16) .
C24 P2 C21 C23 28.1(2) .
C31 P3 C41 C42 41.3(2) .
C31 P3 C41 C46 -144.36(19) .
C31 P3 C51 C52 61.49(19) .
C31 P3 C51 C56 -119.02(18) .
C31 C32 C33 C34 -0.1(4) .
C32 C31 C36 C35 -1.5(3) .
C32 C33 C34 C35 -1.1(4) .
C33 C34 C35 C36 0.9(4) .
C34 C35 C36 C31 0.4(4) .
C36 C31 C32 C33 1.3(4) .
C41 P3 C31 C32 100.1(2) .
C41 P3 C31 C36 -81.09(19) .
C41 P3 C51 C52 -43.45(19) .
C41 P3 C51 C56 136.04(18) .
C41 C42 C43 C44 -0.3(4) .
C42 C41 C46 C45 0.2(3) .
C42 C43 C44 C45 -0.2(4) .
C43 C44 C45 C46 0.7(4) .
C44 C45 C46 C41 -0.6(4) .
C46 C41 C42 C43 0.3(4) .
C51 P3 C31 C32 -3.6(2) .
C51 P3 C31 C36 175.16(17) .
C51 P3 C41 C42 147.7(2) .
C51 P3 C41 C46 -38.0(2) .
C51 C52 C53 C54 -1.1(3) .
C52 C51 C56 C55 -0.2(3) .
C52 C53 C54 C55 0.9(4) .
C53 C54 C55 C56 -0.3(4) .
C54 C55 C56 C51 0.0(4) .
C56 C51 C52 C53 0.7(3) .
B1 C1 B2 C2 40.44(15) .
B1 C1 B2 B5 102.69(18) .
B1 C1 B2 B9 144.10(18) .
B1 C1 B4 B3 -40.68(16) .
B1 C1 B4 B7 -103.45(19) .
B1 C1 B4 B8 -143.56(19) .
B1 C1 B8 B4 35.86(18) .
B1 C1 B8 B7 -3.6(3) .
B1 C1 B8 B9 -106.8(2) .
B1 C1 B8 B10 -65.9(2) .
B1 C1 B9 B2 -35.93(18) .
B1 C1 B9 B5 3.7(2) .
B1 C1 B9 B8 106.5(2) .
B1 C1 B9 B10 65.6(2) .
B1 C2 B2 C1 -40.36(15) .
B1 C2 B2 B5 -144.16(18) .
B1 C2 B2 B9 -102.69(19) .
B1 C2 B3 B4 40.52(16) .
B1 C2 B3 B6 143.77(18) .
B1 C2 B3 B7 103.27(19) .
B1 C2 B5 B2 36.03(19) .
B1 C2 B5 B6 -106.2(2) .
B1 C2 B5 B9 -3.5(2) .
B1 C2 B5 B10 -65.2(2) .
B1 C2 B6 B3 -35.60(18) .
B1 C2 B6 B5 107.4(2) .
B1 C2 B6 B7 4.3(2) .
B1 C2 B6 B10 66.5(2) .
B1 B2 B5 C2 -31.76(16) .
B1 B2 B5 B6 1.3(2) .
B1 B2 B5 B9 102.12(19) .
B1 B2 B5 B10 64.6(2) .
B1 B2 B9 C1 31.73(16) .
B1 B2 B9 B5 -102.26(19) .
B1 B2 B9 B8 -1.2(2) .
B1 B2 B9 B10 -64.6(2) .
B1 B3 B4 C1 39.32(16) .
B1 B3 B4 B7 138.46(19) .
B1 B3 B4 B8 100.78(19) .
B1 B3 B6 C2 31.76(16) .
B1 B3 B6 B5 -1.5(2) .
B1 B3 B6 B7 -102.02(19) .
B1 B3 B6 B10 -64.8(2) .
B1 B3 B7 B4 -37.62(17) .
B1 B3 B7 B6 100.4(2) .
B1 B3 B7 B8 -0.3(3) .
B1 B3 B7 B10 63.0(2) .
B1 B4 B7 B3 37.87(17) .
B1 B4 B7 B6 0.4(2) .
B1 B4 B7 B8 -100.3(2) .
B1 B4 B7 B10 -63.0(2) .
B1 B4 B8 C1 -32.06(16) .
B1 B4 B8 B7 102.3(2) .
B1 B4 B8 B9 1.6(2) .
B1 B4 B8 B10 65.0(2) .
B2 C1 B1 Rh1 95.24(18) .
B2 C1 B1 C2 -40.24(15) .
B2 C1 B1 B3 -100.74(18) .
B2 C1 B1 B4 -139.94(18) .
B2 C1 B4 B1 39.78(18) .
B2 C1 B4 B3 -0.9(2) .
B2 C1 B4 B7 -63.7(2) .
B2 C1 B4 B8 -103.8(2) .
B2 C1 B8 B4 107.26(19) .
B2 C1 B8 B7 67.8(2) .
B2 C1 B8 B9 -35.36(17) .
B2 C1 B8 B10 5.5(2) .
B2 C1 B9 B5 39.64(17) .
B2 C1 B9 B8 142.39(18) .
B2 C1 B9 B10 101.51(19) .
B2 C2 B1 Rh1 -95.15(18) .
B2 C2 B1 C1 40.38(16) .
B2 C2 B1 B3 140.04(18) .
B2 C2 B1 B4 100.65(18) .
B2 C2 B3 B1 -39.79(17) .
B2 C2 B3 B4 0.7(2) .
B2 C2 B3 B6 104.0(2) .
B2 C2 B3 B7 63.5(2) .
B2 C2 B5 B6 -142.21(19) .
B2 C2 B5 B9 -39.56(17) .
B2 C2 B5 B10 -101.23(19) .
B2 C2 B6 B3 -107.20(19) .
B2 C2 B6 B5 35.76(18) .
B2 C2 B6 B7 -67.3(2) .
B2 C2 B6 B10 -5.1(2) .
B2 B1 B3 C2 34.36(15) .
B2 B1 B3 B4 -99.35(18) .
B2 B1 B3 B6 2.3(2) .
B2 B1 B3 B7 -61.7(2) .
B2 B1 B4 C1 -34.55(15) .
B2 B1 B4 B3 99.38(18) .
B2 B1 B4 B7 61.8(2) .
B2 B1 B4 B8 -2.3(2) .
B2 B5 B6 C2 -32.96(16) .
B2 B5 B6 B3 0.1(2) .
B2 B5 B6 B7 63.2(2) .
B2 B5 B6 B10 99.9(2) .
B2 B5 B9 C1 -39.10(16) .
B2 B5 B9 B8 -99.82(19) .
B2 B5 B9 B10 -137.5(2) .
B2 B5 B10 B6 -100.46(19) .
B2 B5 B10 B7 -63.8(2) .
B2 B5 B10 B8 -0.2(2) .
B2 B5 B10 B9 37.30(17) .
B2 B9 B10 B5 -37.44(17) .
B2 B9 B10 B6 0.4(3) .
B2 B9 B10 B7 63.8(2) .
B2 B9 B10 B8 100.5(2) .
B3 C2 B1 Rh1 124.81(19) .
B3 C2 B1 C1 -99.66(18) .
B3 C2 B1 B2 -140.04(18) .
B3 C2 B1 B4 -39.39(16) .
B3 C2 B2 C1 -1.2(2) .
B3 C2 B2 B1 39.15(17) .
B3 C2 B2 B5 -105.0(2) .
B3 C2 B2 B9 -63.5(2) .
B3 C2 B5 B2 106.44(19) .
B3 C2 B5 B6 -35.77(18) .
B3 C2 B5 B9 66.9(2) .
B3 C2 B5 B10 5.2(2) .
B3 C2 B6 B5 142.96(18) .
B3 C2 B6 B7 39.89(17) .
B3 C2 B6 B10 102.1(2) .
B3 B1 B2 C1 96.19(18) .
B3 B1 B2 C2 -35.01(16) .
B3 B1 B2 B5 -2.3(2) .
B3 B1 B2 B9 63.4(2) .
B3 B1 B4 C1 -133.93(19) .
B3 B1 B4 B7 -37.62(17) .
B3 B1 B4 B8 -101.7(2) .
B3 B4 B7 B6 -37.48(18) .
B3 B4 B7 B8 -138.2(2) .
B3 B4 B7 B10 -100.8(2) .
B3 B4 B8 C1 -96.64(19) .
B3 B4 B8 B7 37.68(18) .
B3 B4 B8 B9 -62.9(2) .
B3 B4 B8 B10 0.4(2) .
B3 B6 B7 B4 37.01(17) .
B3 B6 B7 B8 100.5(2) .
B3 B6 B7 B10 138.31(19) .
B3 B6 B10 B5 102.2(2) .
B3 B6 B10 B7 -36.93(18) .
B3 B6 B10 B8 0.9(2) .
B3 B6 B10 B9 64.2(2) .
B3 B7 B8 C1 2.2(2) .
B3 B7 B8 B4 -36.86(18) .
B3 B7 B8 B9 64.7(2) .
B3 B7 B8 B10 101.4(2) .
B3 B7 B10 B5 0.7(2) .
B3 B7 B10 B6 37.43(18) .
B3 B7 B10 B8 -100.1(2) .
B3 B7 B10 B9 -63.4(2) .
B4 C1 B1 Rh1 -124.82(19) .
B4 C1 B1 C2 99.70(18) .
B4 C1 B1 B2 139.94(18) .
B4 C1 B1 B3 39.20(17) .
B4 C1 B2 C2 1.3(2) .
B4 C1 B2 B1 -39.17(17) .
B4 C1 B2 B5 63.5(2) .
B4 C1 B2 B9 104.9(2) .
B4 C1 B8 B7 -39.49(18) .
B4 C1 B8 B9 -142.62(18) .
B4 C1 B8 B10 -101.80(19) .
B4 C1 B9 B2 -106.17(19) .
B4 C1 B9 B5 -66.5(2) .
B4 C1 B9 B8 36.23(18) .
B4 C1 B9 B10 -4.7(2) .
B4 B1 B2 C1 35.00(16) .
B4 B1 B2 C2 -96.20(18) .
B4 B1 B2 B5 -63.5(2) .
B4 B1 B2 B9 2.2(2) .
B4 B1 B3 C2 133.71(18) .
B4 B1 B3 B6 101.6(2) .
B4 B1 B3 B7 37.61(18) .
B4 B3 B6 C2 95.88(19) .
B4 B3 B6 B5 62.6(2) .
B4 B3 B6 B7 -37.91(18) .
B4 B3 B6 B10 -0.7(2) .
B4 B3 B7 B6 138.00(19) .
B4 B3 B7 B8 37.34(18) .
B4 B3 B7 B10 100.6(2) .
B4 B7 B8 C1 39.07(17) .
B4 B7 B8 B9 101.6(2) .
B4 B7 B8 B10 138.23(19) .
B4 B7 B10 B5 63.3(2) .
B4 B7 B10 B6 100.0(2) .
B4 B7 B10 B8 -37.47(18) .
B4 B7 B10 B9 -0.8(2) .
B4 B8 B9 C1 -33.21(16) .
B4 B8 B9 B2 -0.3(2) .
B4 B8 B9 B5 62.4(2) .
B4 B8 B9 B10 99.8(2) .
B4 B8 B10 B5 -64.3(2) .
B4 B8 B10 B6 -0.8(2) .
B4 B8 B10 B7 37.00(18) .
B4 B8 B10 B9 -102.06(19) .
B5 C2 B1 Rh1 -130.03(18) .
B5 C2 B1 C1 5.5(2) .
B5 C2 B1 B2 -34.88(18) .
B5 C2 B1 B3 105.2(2) .
B5 C2 B1 B4 65.8(2) .
B5 C2 B2 C1 103.81(18) .
B5 C2 B2 B1 144.16(18) .
B5 C2 B2 B9 41.47(18) .
B5 C2 B3 B1 -108.09(19) .
B5 C2 B3 B4 -67.6(2) .
B5 C2 B3 B6 35.68(18) .
B5 C2 B3 B7 -4.8(2) .
B5 C2 B6 B3 -142.96(18) .
B5 C2 B6 B7 -103.07(19) .
B5 C2 B6 B10 -40.84(17) .
B5 B2 B9 C1 133.99(19) .
B5 B2 B9 B8 101.1(2) .
B5 B2 B9 B10 37.64(18) .
B5 B6 B7 B3 -101.7(2) .
B5 B6 B7 B4 -64.7(2) .
B5 B6 B7 B8 -1.3(2) .
B5 B6 B7 B10 36.56(17) .
B5 B6 B10 B7 -139.10(19) .
B5 B6 B10 B8 -101.2(2) .
B5 B6 B10 B9 -38.00(18) .
B5 B9 B10 B6 37.82(18) .
B5 B9 B10 B7 101.3(2) .
B5 B9 B10 B8 137.98(19) .
B6 C2 B1 Rh1 160.18(15) .
B6 C2 B1 C1 -64.3(2) .
B6 C2 B1 B2 -104.7(2) .
B6 C2 B1 B3 35.36(18) .
B6 C2 B1 B4 -4.0(2) .
B6 C2 B2 C1 67.8(2) .
B6 C2 B2 B1 108.1(2) .
B6 C2 B2 B5 -36.03(19) .
B6 C2 B2 B9 5.4(2) .
B6 C2 B3 B1 -143.77(18) .
B6 C2 B3 B4 -103.25(19) .
B6 C2 B3 B7 -40.50(17) .
B6 C2 B5 B2 142.21(19) .
B6 C2 B5 B9 102.7(2) .
B6 C2 B5 B10 40.98(17) .
B6 B3 B4 C1 -61.3(2) .
B6 B3 B4 B1 -100.6(2) .
B6 B3 B4 B7 37.86(18) .
B6 B3 B4 B8 0.2(2) .
B6 B3 B7 B4 -138.00(19) .
B6 B3 B7 B8 -100.7(2) .
B6 B3 B7 B10 -37.35(18) .
B6 B5 B9 C1 60.6(2) .
B6 B5 B9 B2 99.75(19) .
B6 B5 B9 B8 -0.1(2) .
B6 B5 B9 B10 -37.76(18) .
B6 B5 B10 B7 36.67(18) .
B6 B5 B10 B8 100.2(2) .
B6 B5 B10 B9 137.76(19) .
B6 B7 B8 C1 -61.3(2) .
B6 B7 B8 B4 -100.3(2) .
B6 B7 B8 B9 1.2(2) .
B6 B7 B8 B10 37.89(18) .
B6 B7 B10 B5 -36.73(17) .
B6 B7 B10 B8 -137.49(19) .
B6 B7 B10 B9 -100.8(2) .
B7 B3 B4 C1 -99.14(19) .
B7 B3 B4 B1 -138.46(19) .
B7 B3 B4 B8 -37.68(18) .
B7 B3 B6 C2 133.79(18) .
B7 B3 B6 B5 100.5(2) .
B7 B3 B6 B10 37.22(18) .
B7 B4 B8 C1 -134.32(19) .
B7 B4 B8 B9 -100.6(2) .
B7 B4 B8 B10 -37.28(18) .
B7 B6 B10 B5 139.10(19) .
B7 B6 B10 B8 37.86(18) .
B7 B6 B10 B9 101.1(2) .
B7 B8 B9 C1 -96.30(19) .
B7 B8 B9 B2 -63.4(2) .
B7 B8 B9 B5 -0.7(2) .
B7 B8 B9 B10 36.75(17) .
B7 B8 B10 B5 -101.3(2) .
B7 B8 B10 B6 -37.82(18) .
B7 B8 B10 B9 -139.06(19) .
B8 C1 B1 Rh1 -160.59(16) .
B8 C1 B1 C2 63.9(2) .
B8 C1 B1 B2 104.2(2) .
B8 C1 B1 B3 3.4(2) .
B8 C1 B1 B4 -35.77(19) .
B8 C1 B2 C2 -68.0(2) .
B8 C1 B2 B1 -108.43(19) .
B8 C1 B2 B5 -5.7(2) .
B8 C1 B2 B9 35.67(18) .
B8 C1 B4 B1 143.56(19) .
B8 C1 B4 B3 102.9(2) .
B8 C1 B4 B7 40.11(17) .
B8 C1 B9 B2 -142.39(18) .
B8 C1 B9 B5 -102.75(19) .
B8 C1 B9 B10 -40.89(17) .
B8 B4 B7 B3 138.2(2) .
B8 B4 B7 B6 100.7(2) .
B8 B4 B7 B10 37.35(18) .
B8 B7 B10 B5 100.8(2) .
B8 B7 B10 B6 137.49(19) .
B8 B7 B10 B9 36.66(17) .
B8 B9 B10 B5 -137.98(19) .
B8 B9 B10 B6 -100.2(2) .
B8 B9 B10 B7 -36.71(18) .
B9 C1 B1 Rh1 129.94(18) .
B9 C1 B1 C2 -5.5(2) .
B9 C1 B1 B2 34.70(18) .
B9 C1 B1 B3 -66.0(2) .
B9 C1 B1 B4 -105.2(2) .
B9 C1 B2 C2 -103.66(18) .
B9 C1 B2 B1 -144.10(18) .
B9 C1 B2 B5 -41.41(17) .
B9 C1 B4 B1 107.65(19) .
B9 C1 B4 B3 67.0(2) .
B9 C1 B4 B7 4.2(2) .
B9 C1 B4 B8 -35.90(18) .
B9 C1 B8 B4 142.62(18) .
B9 C1 B8 B7 103.1(2) .
B9 C1 B8 B10 40.82(17) .
B9 B2 B5 C2 -133.88(19) .
B9 B2 B5 B6 -100.8(2) .
B9 B2 B5 B10 -37.53(17) .
B9 B5 B6 C2 -95.31(18) .
B9 B5 B6 B3 -62.2(2) .
B9 B5 B6 B7 0.8(2) .
B9 B5 B6 B10 37.54(17) .
B9 B5 B10 B6 -137.76(19) .
B9 B5 B10 B7 -101.1(2) .
B9 B5 B10 B8 -37.54(17) .
B9 B8 B10 B5 37.81(17) .
B9 B8 B10 B6 101.2(2) .
B9 B8 B10 B7 139.06(19) .
B10 B5 B6 C2 -132.85(19) .
B10 B5 B6 B3 -99.8(2) .
B10 B5 B6 B7 -36.70(18) .
B10 B5 B9 C1 98.41(19) .
B10 B5 B9 B2 137.5(2) .
B10 B5 B9 B8 37.70(17) .
B10 B6 B7 B3 -138.31(19) .
B10 B6 B7 B4 -101.3(2) .
B10 B6 B7 B8 -37.85(18) .
B10 B7 B8 C1 -99.2(2) .
B10 B7 B8 B4 -138.23(19) .
B10 B7 B8 B9 -36.64(18) .
B10 B8 B9 C1 -133.05(18) .
B10 B8 B9 B2 -100.12(19) .
B10 B8 B9 B5 -37.48(17) .
C61 C62 C63 C63 -174.8(5) 2_656
