#------------------------------------------------------------------------------
#$Date: 2021-04-05 17:44:25 +0300 (Mon, 05 Apr 2021) $
#$Revision: 263745 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/66/7706637.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_7706637
loop_
_publ_author_name
'Nishihara, Yasushi'
'Nishide, Yasuhiro'
'Osakada, Kohtaro'
_publ_section_title
;
 Synthesis and reactivity of boryloxorhodium complexes. Relevance to
 intermolecular transmetalation from boron to rhodium in Rh-catalyzed
 reactions.
;
_journal_issue                   10
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3610
_journal_page_last               3615
_journal_paper_doi               10.1039/d1dt00440a
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         'C32 H39 B O3 P Rh'
_chemical_formula_sum            'C32 H39 B O3 P Rh'
_chemical_formula_weight         616.35
_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   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2020-05-05 deposited with the CCDC.	2021-02-17 downloaded from the CCDC.
;
_cell_angle_alpha                102.334(17)
_cell_angle_beta                 96.7914
_cell_angle_gamma                102.8655
_cell_formula_units_Z            2
_cell_length_a                   10.519(2)
_cell_length_b                   15.348(3)
_cell_length_c                   9.920(2)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    296
_cell_measurement_theta_max      10.81
_cell_measurement_theta_min      9.44
_cell_volume                     1502.0(5)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection
'MSC/AFC Diffractometer Control (Rigaku, 1998)'
_computing_data_reduction        'MSC/AFC Diffractometer Control'
_computing_molecular_graphics    'CrystalStructure 4.2.5'
_computing_publication_material  'CrystalStructure 4.2.5 (Rigaku, 2017)'
_computing_structure_refinement  'CRYSTALS (Carruthers, et al., 1999)'
_computing_structure_solution    'DIRDIF99-PATTY (Gould, et al., 1999)'
_diffrn_ambient_temperature      296
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Rigaku AFC5R'
_diffrn_measurement_method       ω-2θ
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0145
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            7269
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.669
_diffrn_standards_decay_%        -0.925
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.651
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.893
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details
;
ψ scans (North,Phillips & Matthews, 1968)
;
_exptl_crystal_colour            'dark yellow'
_exptl_crystal_density_diffrn    1.363
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             640.00
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
_exptl_crystal_size_max          0.650
_exptl_crystal_size_mid          0.530
_exptl_crystal_size_min          0.300
_refine_diff_density_max         0.846
_refine_diff_density_min         -1.150
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.084
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     382
_refine_ls_number_reflns         6894
_refine_ls_R_factor_gt           0.0372
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
    Chebychev polynomial with 3 parameters (Carruthers & Watkin, 1979)
    68800.7000    68778.3000    0.0000
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1021
_reflns_number_gt                6114
_reflns_number_total             6894
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            d1dt00440a2.cif
_cod_data_source_block           nsd122-2
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'psi scan' was
changed to 'psi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7706636--7706638.cif.
;
_cod_original_cell_volume        1502.1(6)
_cod_database_code               7706637
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -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_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.20638(3) 0.34814(2) 0.28340(3) 0.03119(7) Uani 1 2 d . . .
P1 P 0.13413(9) 0.21553(6) 0.35910(9) 0.0328(2) Uani 1 2 d . . .
O1 O 0.3913(3) 0.2213(2) -0.0506(3) 0.0517(8) Uani 1 2 d . . .
O2 O 0.5076(3) 0.3092(2) 0.1647(3) 0.0523(8) Uani 1 2 d . . .
O3 O 0.2674(3) 0.26761(18) 0.1245(3) 0.0416(7) Uani 1 2 d . . .
C1 C -0.0805(5) 0.0558(3) 0.2697(5) 0.0561(13) Uani 1 2 d . . .
C2 C 0.5279(5) 0.2211(4) -0.0529(6) 0.0654(15) Uani 1 2 d . . .
C3 C -0.0262(6) 0.2492(4) 0.7759(5) 0.0655(16) Uani 1 2 d . . .
C4 C -0.0179(4) 0.1355(3) 0.0949(4) 0.0431(10) Uani 1 2 d . . .
C5 C 0.4784(7) 0.0773(5) 0.3898(6) 0.087(2) Uani 1 2 d . . .
C6 C 0.2073(4) 0.4472(3) 0.1547(4) 0.0462(11) Uani 1 2 d . . .
C7 C -0.1912(5) -0.0031(3) 0.0310(6) 0.0629(14) Uani 1 2 d . . .
C8 C 0.1503(5) 0.2285(3) 0.6495(4) 0.0510(12) Uani 1 2 d . . .
C9 C 0.0710(4) 0.2246(3) 0.5239(4) 0.0389(10) Uani 1 2 d . . .
C10 C 0.0870(5) 0.4842(4) 0.1684(5) 0.0597(15) Uani 1 2 d . . .
C11 C 0.1017(6) 0.2409(4) 0.7743(5) 0.0644(16) Uani 1 2 d . . .
C12 C 0.7291(6) 0.2897(5) 0.1545(8) 0.100(2) Uani 1 2 d . . .
C13 C 0.3969(4) 0.2101(4) 0.3960(5) 0.0556(14) Uani 1 2 d . . .
C14 C 0.0493(5) 0.4942(3) 0.3134(5) 0.0578(14) Uani 1 2 d . . .
C15 C 0.3262(5) 0.4763(3) 0.2490(5) 0.0501(12) Uani 1 2 d . . .
C16 C -0.1139(4) 0.0687(3) -0.0048(5) 0.0539(12) Uani 1 2 d . . .
C17 C 0.6394(9) 0.3949(5) 0.0381(10) 0.137(4) Uani 1 2 d . . .
C18 C -0.0587(4) 0.2334(3) 0.5263(5) 0.0476(12) Uani 1 2 d . . .
C19 C 0.6041(5) 0.3035(4) 0.0741(6) 0.0604(14) Uani 1 2 d . . .
C20 C 0.0000(4) 0.1289(3) 0.2327(4) 0.0384(9) Uani 1 2 d . . .
C21 C 0.5013(5) 0.1687(5) 0.4009(6) 0.077(2) Uani 1 2 d . . .
C22 C -0.1056(5) 0.2458(4) 0.6513(5) 0.0604(15) Uani 1 2 d . . .
C23 C 0.5570(8) 0.2232(7) -0.1953(7) 0.129(3) Uani 1 2 d . . .
C24 C 0.3538(5) 0.5560(3) 0.3795(6) 0.0648(15) Uani 1 2 d . . .
C25 C 0.2061(5) 0.4382(3) 0.4770(4) 0.0507(12) Uani 1 2 d . . .
C26 C 0.0838(5) 0.4231(3) 0.3869(4) 0.0463(11) Uani 1 2 d . . .
C27 C 0.3188(6) 0.5237(4) 0.5090(6) 0.0735(16) Uani 1 2 d . . .
C28 C -0.1752(5) -0.0108(3) 0.1682(6) 0.0659(15) Uani 1 2 d . . .
C29 C 0.2436(6) 0.0642(3) 0.3717(5) 0.0620(15) Uani 1 2 d . . .
C30 C 0.2670(4) 0.1578(3) 0.3795(4) 0.0407(10) Uani 1 2 d . . .
C31 C 0.3517(8) 0.0238(4) 0.3765(6) 0.087(2) Uani 1 2 d . . .
C32 C 0.5427(6) 0.1286(4) -0.0237(9) 0.104(3) Uani 1 2 d . . .
B1 B 0.3808(4) 0.2671(3) 0.0845(5) 0.0384(11) Uani 1 2 d . . .
H1 H -0.0709 0.05276 0.36288 0.0652 Uiso 1 2 calc R . .
H2 H -0.05881 0.25744 0.85962 0.0871 Uiso 1 2 calc R . .
H3 H 0.03509 0.18454 0.06991 0.0504 Uiso 1 2 calc R . .
H4 H 0.54899 0.05006 0.39236 0.1147 Uiso 1 2 calc R . .
H5 H 0.21626 0.42288 0.05759 0.0584 Uiso 1 2 calc R . .
H6 H -0.25583 -0.04713 -0.03692 0.0680 Uiso 1 2 calc R . .
H7 H 0.23612 0.22221 0.64856 0.0631 Uiso 1 2 calc R . .
H8 H 0.10582 0.54431 0.14766 0.0769 Uiso 1 2 calc R . .
H9 H 0.01282 0.44267 0.10039 0.0770 Uiso 1 2 calc R . .
H10 H 0.15554 0.24389 0.85749 0.0805 Uiso 1 2 calc R . .
H11 H 0.7061 0.23331 0.1836 0.1137 Uiso 1 2 calc R . .
H12 H 0.79411 0.28611 0.09467 0.1136 Uiso 1 2 calc R . .
H13 H 0.76492 0.34033 0.23548 0.1137 Uiso 1 2 calc R . .
H14 H 0.41279 0.27326 0.40462 0.0707 Uiso 1 2 calc R . .
H15 H 0.09649 0.55504 0.37055 0.0758 Uiso 1 2 calc R . .
H16 H -0.0453 0.48815 0.30405 0.0757 Uiso 1 2 calc R . .
H17 H 0.40421 0.46903 0.20716 0.0621 Uiso 1 2 calc R . .
H18 H -0.12547 0.07352 -0.09704 0.0606 Uiso 1 2 calc R . .
H19 H 0.67443 0.44367 0.12152 0.1752 Uiso 1 2 calc R . .
H20 H 0.70411 0.39473 -0.0226 0.1751 Uiso 1 2 calc R . .
H21 H 0.56067 0.40458 -0.00931 0.1751 Uiso 1 2 calc R . .
H22 H -0.11286 0.23052 0.44338 0.0610 Uiso 1 2 calc R . .
H23 H 0.58756 0.20402 0.41036 0.1016 Uiso 1 2 calc R . .
H24 H -0.19164 0.25161 0.65266 0.0810 Uiso 1 2 calc R . .
H25 H 0.50029 0.17079 -0.26384 0.1559 Uiso 1 2 calc R . .
H26 H 0.54209 0.2788 -0.21601 0.1559 Uiso 1 2 calc R . .
H27 H 0.64777 0.22266 -0.19776 0.1559 Uiso 1 2 calc R . .
H28 H 0.44698 0.58805 0.39797 0.0721 Uiso 1 2 calc R . .
H29 H 0.3009 0.59796 0.36183 0.0721 Uiso 1 2 calc R . .
H30 H 0.19899 0.40781 0.55427 0.0601 Uiso 1 2 calc R . .
H31 H 0.00776 0.38463 0.41304 0.0591 Uiso 1 2 calc R . .
H32 H 0.39595 0.51051 0.55607 0.0789 Uiso 1 2 calc R . .
H33 H 0.29387 0.57238 0.57169 0.0789 Uiso 1 2 calc R . .
H34 H -0.22645 -0.06105 0.19222 0.0748 Uiso 1 2 calc R . .
H35 H 0.15762 0.02904 0.36427 0.0749 Uiso 1 2 calc R . .
H36 H 0.33737 -0.03899 0.37072 0.1079 Uiso 1 2 calc R . .
H37 H 0.52031 0.12588 0.0666 0.1238 Uiso 1 2 calc R . .
H38 H 0.48404 0.07826 -0.09415 0.1238 Uiso 1 2 calc R . .
H39 H 0.63232 0.1243 -0.0243 0.1237 Uiso 1 2 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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
B B 0.0013 0.0007
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
P P 0.1023 0.0942
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Rh Rh -1.1178 0.9187
;
International Tables for Crystallography
(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_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
P1 Rh1 O3 87.10(9) yes . .
P1 Rh1 C6 158.50(10) yes . .
P1 Rh1 C15 164.16(13) yes . .
P1 Rh1 C25 94.08(13) yes . .
P1 Rh1 C26 95.97(13) yes . .
O3 Rh1 C6 87.45(15) yes . .
O3 Rh1 C15 92.36(15) yes . .
O3 Rh1 C25 161.89(16) yes . .
O3 Rh1 C26 158.69(13) yes . .
C6 Rh1 C15 36.97(16) yes . .
C6 Rh1 C25 97.50(17) yes . .
C6 Rh1 C26 82.00(18) yes . .
C15 Rh1 C25 81.60(17) yes . .
C15 Rh1 C26 90.28(17) yes . .
C25 Rh1 C26 39.15(18) yes . .
Rh1 P1 C9 119.17(14) yes . .
Rh1 P1 C20 112.86(14) yes . .
Rh1 P1 C30 110.74(14) yes . .
C9 P1 C20 103.38(17) yes . .
C9 P1 C30 104.71(19) yes . .
C20 P1 C30 104.69(17) yes . .
C2 O1 B1 108.4(3) yes . .
C19 O2 B1 108.6(3) yes . .
Rh1 O3 B1 134.7(2) yes . .
C20 C1 C28 119.9(5) yes . .
O1 C2 C19 103.1(4) yes . .
O1 C2 C23 109.2(5) yes . .
O1 C2 C32 106.2(4) yes . .
C19 C2 C23 118.9(5) yes . .
C19 C2 C32 110.3(5) yes . .
C23 C2 C32 108.4(6) yes . .
C11 C3 C22 119.4(5) yes . .
C16 C4 C20 119.8(4) yes . .
C21 C5 C31 120.7(7) yes . .
Rh1 C6 C10 108.2(3) yes . .
Rh1 C6 C15 72.3(3) yes . .
C10 C6 C15 126.3(4) yes . .
C16 C7 C28 120.4(4) yes . .
C9 C8 C11 120.6(5) yes . .
P1 C9 C8 122.0(3) yes . .
P1 C9 C18 119.1(3) yes . .
C8 C9 C18 118.8(4) yes . .
C6 C10 C14 113.6(4) yes . .
C3 C11 C8 120.3(5) yes . .
C21 C13 C30 120.5(5) yes . .
C10 C14 C26 113.3(4) yes . .
Rh1 C15 C6 70.7(3) yes . .
Rh1 C15 C24 111.3(3) yes . .
C6 C15 C24 123.1(5) yes . .
C4 C16 C7 120.7(5) yes . .
C9 C18 C22 119.9(4) yes . .
O2 C19 C2 102.8(3) yes . .
O2 C19 C12 109.2(5) yes . .
O2 C19 C17 106.4(5) yes . .
C2 C19 C12 115.4(5) yes . .
C2 C19 C17 114.2(5) yes . .
C12 C19 C17 108.2(5) yes . .
P1 C20 C1 122.3(3) yes . .
P1 C20 C4 118.3(3) yes . .
C1 C20 C4 119.4(3) yes . .
C5 C21 C13 120.4(5) yes . .
C3 C22 C18 120.9(5) yes . .
C15 C24 C27 112.6(4) yes . .
Rh1 C25 C26 70.8(2) yes . .
Rh1 C25 C27 111.3(3) yes . .
C26 C25 C27 125.3(5) yes . .
Rh1 C26 C14 112.9(3) yes . .
Rh1 C26 C25 70.1(3) yes . .
C14 C26 C25 123.3(4) yes . .
C24 C27 C25 113.9(4) yes . .
C1 C28 C7 119.7(5) yes . .
C30 C29 C31 119.2(5) yes . .
P1 C30 C13 117.8(4) yes . .
P1 C30 C29 123.0(3) yes . .
C13 C30 C29 119.2(5) yes . .
C5 C31 C29 120.0(6) yes . .
O1 B1 O2 110.0(4) yes . .
O1 B1 O3 122.7(3) yes . .
O2 B1 O3 127.3(4) yes . .
C20 C1 H1 119.400 no . .
C28 C1 H1 120.709 no . .
C11 C3 H2 120.311 no . .
C22 C3 H2 120.250 no . .
C16 C4 H3 120.433 no . .
C20 C4 H3 119.724 no . .
C21 C5 H4 119.830 no . .
C31 C5 H4 119.458 no . .
Rh1 C6 H5 113.668 no . .
C10 C6 H5 113.850 no . .
C15 C6 H5 114.132 no . .
C16 C7 H6 119.761 no . .
C28 C7 H6 119.852 no . .
C9 C8 H7 119.292 no . .
C11 C8 H7 120.097 no . .
C6 C10 H8 107.705 no . .
C6 C10 H9 108.511 no . .
C14 C10 H8 108.925 no . .
C14 C10 H9 108.528 no . .
H8 C10 H9 109.495 no . .
C3 C11 H10 119.723 no . .
C8 C11 H10 119.979 no . .
C19 C12 H11 108.783 no . .
C19 C12 H12 109.640 no . .
C19 C12 H13 110.074 no . .
H11 C12 H12 109.442 no . .
H11 C12 H13 109.445 no . .
H12 C12 H13 109.441 no . .
C21 C13 H14 120.335 no . .
C30 C13 H14 119.148 no . .
C10 C14 H15 108.296 no . .
C10 C14 H16 108.520 no . .
C26 C14 H15 108.225 no . .
C26 C14 H16 108.989 no . .
H15 C14 H16 109.500 no . .
Rh1 C15 H17 114.369 no . .
C6 C15 H17 114.715 no . .
C24 C15 H17 114.621 no . .
C4 C16 H18 119.413 no . .
C7 C16 H18 119.874 no . .
C19 C17 H19 110.420 no . .
C19 C17 H20 109.754 no . .
C19 C17 H21 108.316 no . .
H19 C17 H20 109.447 no . .
H19 C17 H21 109.440 no . .
H20 C17 H21 109.444 no . .
C9 C18 H22 119.741 no . .
C22 C18 H22 120.330 no . .
C5 C21 H23 119.682 no . .
C13 C21 H23 119.921 no . .
C3 C22 H24 119.326 no . .
C18 C22 H24 119.754 no . .
C2 C23 H25 110.438 no . .
C2 C23 H26 108.476 no . .
C2 C23 H27 109.578 no . .
H25 C23 H26 109.444 no . .
H25 C23 H27 109.445 no . .
H26 C23 H27 109.440 no . .
C15 C24 H28 109.110 no . .
C15 C24 H29 108.424 no . .
C27 C24 H28 108.814 no . .
C27 C24 H29 108.374 no . .
H28 C24 H29 109.497 no . .
Rh1 C25 H30 113.709 no . .
C26 C25 H30 113.766 no . .
C27 C25 H30 114.001 no . .
Rh1 C26 H31 114.293 no . .
C14 C26 H31 114.057 no . .
C25 C26 H31 114.559 no . .
C24 C27 H32 108.733 no . .
C24 C27 H33 109.106 no . .
C25 C27 H32 107.836 no . .
C25 C27 H33 107.698 no . .
H32 C27 H33 109.481 no . .
C1 C28 H34 119.834 no . .
C7 C28 H34 120.406 no . .
C30 C29 H35 119.969 no . .
C31 C29 H35 120.876 no . .
C5 C31 H36 119.891 no . .
C29 C31 H36 120.073 no . .
C2 C32 H37 108.683 no . .
C2 C32 H38 109.707 no . .
C2 C32 H39 110.105 no . .
H37 C32 H38 109.440 no . .
H37 C32 H39 109.441 no . .
H38 C32 H39 109.447 no . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_2
Rh1 P1 2.3202(11) yes .
Rh1 O3 2.046(3) yes .
Rh1 C6 2.183(5) yes .
Rh1 C15 2.203(5) yes .
Rh1 C25 2.114(4) yes .
Rh1 C26 2.124(5) yes .
P1 C9 1.826(4) yes .
P1 C20 1.834(3) yes .
P1 C30 1.828(5) yes .
O1 C2 1.440(6) yes .
O1 B1 1.404(5) yes .
O2 C19 1.439(6) yes .
O2 B1 1.405(5) yes .
O3 B1 1.302(6) yes .
C1 C20 1.392(6) yes .
C1 C28 1.386(6) yes .
C2 C19 1.567(6) yes .
C2 C23 1.486(9) yes .
C2 C32 1.546(10) yes .
C3 C11 1.382(9) yes .
C3 C22 1.392(7) yes .
C4 C16 1.385(5) yes .
C4 C20 1.386(6) yes .
C5 C21 1.347(11) yes .
C5 C31 1.376(10) yes .
C6 C10 1.507(8) yes .
C6 C15 1.391(6) yes .
C7 C16 1.355(7) yes .
C7 C28 1.385(9) yes .
C8 C9 1.398(6) yes .
C8 C11 1.387(7) yes .
C9 C18 1.403(6) yes .
C10 C14 1.522(8) yes .
C12 C19 1.536(9) yes .
C13 C21 1.387(9) yes .
C13 C30 1.393(6) yes .
C14 C26 1.519(8) yes .
C15 C24 1.527(6) yes .
C17 C19 1.500(11) yes .
C18 C22 1.380(7) yes .
C24 C27 1.528(8) yes .
C25 C26 1.420(6) yes .
C25 C27 1.506(7) yes .
C29 C30 1.385(7) yes .
C29 C31 1.412(10) yes .
C1 H1 0.930 no .
C3 H2 0.930 no .
C4 H3 0.930 no .
C5 H4 0.930 no .
C6 H5 0.980 no .
C7 H6 0.930 no .
C8 H7 0.930 no .
C10 H8 0.970 no .
C10 H9 0.970 no .
C11 H10 0.930 no .
C12 H11 0.960 no .
C12 H12 0.960 no .
C12 H13 0.960 no .
C13 H14 0.930 no .
C14 H15 0.970 no .
C14 H16 0.970 no .
C15 H17 0.980 no .
C16 H18 0.930 no .
C17 H19 0.960 no .
C17 H20 0.960 no .
C17 H21 0.960 no .
C18 H22 0.930 no .
C21 H23 0.930 no .
C22 H24 0.930 no .
C23 H25 0.960 no .
C23 H26 0.960 no .
C23 H27 0.960 no .
C24 H28 0.970 no .
C24 H29 0.970 no .
C25 H30 0.980 no .
C26 H31 0.980 no .
C27 H32 0.970 no .
C27 H33 0.970 no .
C28 H34 0.930 no .
C29 H35 0.930 no .
C31 H36 0.930 no .
C32 H37 0.960 no .
C32 H38 0.960 no .
C32 H39 0.960 no .
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
Rh1 C4 3.555(4) no . .
Rh1 C13 3.482(6) no . .
O1 C17 3.170(8) no . .
O2 C13 3.204(6) no . .
O2 C15 3.543(6) no . .
O2 C21 3.503(8) no . .
O2 C32 3.118(8) no . .
O3 C2 3.548(6) no . .
O3 C4 3.167(5) no . .
O3 C13 3.252(6) no . .
O3 C19 3.573(6) no . .
O3 C20 3.552(5) no . .
O3 C30 3.326(5) no . .
C1 C9 3.167(5) no . .
C1 C16 2.759(7) no . .
C1 C18 3.254(6) no . .
C1 C29 3.405(8) no . .
C1 C30 3.575(6) no . .
C3 C9 2.795(7) no . .
C4 C28 2.764(7) no . .
C5 C30 2.776(9) no . .
C6 C27 3.429(6) no . .
C7 C20 2.767(5) no . .
C8 C22 2.765(8) no . .
C8 C30 3.161(6) no . .
C9 C25 3.422(6) no . .
C9 C26 3.574(6) no . .
C9 C29 3.562(7) no . .
C10 C24 3.118(7) no . .
C10 C25 3.443(7) no . .
C11 C18 2.780(7) no . .
C12 C23 3.542(9) no . .
C12 C32 2.870(8) no . .
C12 B1 3.572(8) no . .
C13 C31 2.752(9) no . .
C13 B1 3.382(7) no . .
C14 C15 3.112(7) no . .
C14 C24 3.078(7) no . .
C14 C27 3.124(8) no . .
C15 B1 3.479(7) no . .
C17 C23 2.993(11) no . .
C17 B1 3.125(10) no . .
C18 C20 3.210(6) no . .
C18 C26 3.592(7) no . .
C20 C29 3.214(7) no . .
C21 C29 2.772(8) no . .
C23 B1 3.545(9) no . .
C24 C26 3.125(7) no . .
C32 B1 3.105(9) no . .
O1 C7 3.594(6) no . 2_555
O1 C11 3.430(7) no . 1_554
O1 C28 3.384(5) no . 2_555
O3 C11 3.593(6) no . 1_554
C4 C7 3.476(7) no . 2_555
C5 C31 3.574(11) no . 2_656
C7 O1 3.594(6) no . 2_555
C7 C4 3.476(7) no . 2_555
C7 C16 3.592(7) no . 2_555
C11 O1 3.430(7) no . 1_556
C11 O3 3.593(6) no . 1_556
C14 C26 3.546(7) no . 2_566
C16 C7 3.592(7) no . 2_555
C16 C16 3.531(8) no . 2_555
C26 C14 3.546(7) no . 2_566
C28 O1 3.384(5) no . 2_555
C31 C5 3.574(11) no . 2_656
Rh1 H3 2.9745 no . .
Rh1 H9 3.3337 no . .
Rh1 H14 2.9267 no . .
Rh1 H15 3.5869 no . .
Rh1 H32 3.3370 no . .
P1 H1 2.9247 no . .
P1 H3 2.8340 no . .
P1 H7 2.9161 no . .
P1 H14 2.8180 no . .
P1 H22 2.8636 no . .
P1 H30 3.0452 no . .
P1 H31 3.1466 no . .
P1 H35 2.9379 no . .
O1 H21 2.8911 no . .
O1 H25 2.5802 no . .
O1 H26 2.5685 no . .
O1 H27 3.2137 no . .
O1 H37 2.5646 no . .
O1 H38 2.5700 no . .
O1 H39 3.2251 no . .
O2 H11 2.6147 no . .
O2 H12 3.2494 no . .
O2 H13 2.6229 no . .
O2 H14 2.7999 no . .
O2 H17 2.8691 no . .
O2 H19 2.5427 no . .
O2 H20 3.1925 no . .
O2 H21 2.5256 no . .
O2 H23 3.3245 no . .
O2 H37 2.8128 no . .
O3 H3 2.4278 no . .
O3 H5 2.7515 no . .
O3 H14 2.9838 no . .
O3 H17 2.9929 no . .
C1 H3 3.2382 no . .
C1 H6 3.2362 no . .
C1 H22 2.9748 no . .
C1 H35 2.7180 no . .
C2 H11 2.7697 no . .
C2 H12 2.8537 no . .
C2 H13 3.4343 no . .
C2 H19 3.3964 no . .
C2 H20 2.8199 no . .
C2 H21 2.6917 no . .
C3 H7 3.2392 no . .
C3 H22 3.2503 no . .
C4 H1 3.2351 no . .
C4 H6 3.2197 no . .
C5 H14 3.2097 no . .
C5 H35 3.2567 no . .
C5 H37 3.4980 no . .
C6 H15 2.9356 no . .
C6 H16 3.3056 no . .
C6 H28 3.2800 no . .
C6 H29 2.6496 no . .
C7 H1 3.2409 no . .
C7 H3 3.2195 no . .
C8 H2 3.2412 no . .
C8 H22 3.2513 no . .
C8 H30 3.0537 no . .
C9 H1 2.7605 no . .
C9 H10 3.2560 no . .
C9 H24 3.2487 no . .
C9 H30 2.7683 no . .
C9 H31 3.0640 no . .
C9 H35 3.4466 no . .
C10 H17 3.3792 no . .
C10 H29 2.7551 no . .
C10 H31 3.2277 no . .
C11 H24 3.2310 no . .
C12 H19 2.6291 no . .
C12 H20 2.6540 no . .
C12 H21 3.2899 no . .
C12 H23 3.4406 no . .
C12 H27 3.3718 no . .
C12 H37 2.8391 no . .
C12 H39 2.6698 no . .
C13 H4 3.2123 no . .
C13 H7 3.1807 no . .
C13 H35 3.2369 no . .
C14 H5 3.3832 no . .
C14 H29 2.6958 no . .
C14 H30 3.3675 no . .
C14 H33 3.2213 no . .
C15 H8 2.9070 no . .
C15 H9 3.3278 no . .
C15 H15 3.1811 no . .
C15 H32 2.9508 no . .
C15 H33 3.3165 no . .
C16 H34 3.2164 no . .
C17 H11 3.2855 no . .
C17 H12 2.6733 no . .
C17 H13 2.6196 no . .
C17 H17 3.4134 no . .
C17 H26 2.6898 no . .
C17 H27 3.1590 no . .
C18 H1 2.8645 no . .
C18 H2 3.2481 no . .
C18 H7 3.2494 no . .
C18 H30 3.2961 no . .
C18 H31 2.7775 no . .
C19 H25 3.4355 no . .
C19 H26 2.7982 no . .
C19 H27 2.8527 no . .
C19 H37 2.6531 no . .
C19 H38 3.3792 no . .
C19 H39 2.8083 no . .
C20 H18 3.2340 no . .
C20 H22 2.8684 no . .
C20 H34 3.2431 no . .
C20 H35 2.8768 no . .
C21 H11 3.3661 no . .
C21 H36 3.2015 no . .
C21 H37 3.2793 no . .
C22 H10 3.2348 no . .
C23 H12 3.3874 no . .
C23 H20 2.8096 no . .
C23 H21 2.9828 no . .
C23 H37 3.2818 no . .
C23 H38 2.6308 no . .
C23 H39 2.6700 no . .
C24 H5 3.3570 no . .
C24 H8 3.2133 no . .
C24 H15 2.6944 no . .
C24 H30 3.3956 no . .
C25 H15 2.6657 no . .
C25 H16 3.3047 no . .
C25 H28 3.3122 no . .
C25 H29 2.9483 no . .
C26 H8 3.3121 no . .
C26 H9 2.9475 no . .
C26 H22 3.4045 no . .
C26 H29 3.1888 no . .
C26 H32 3.3423 no . .
C26 H33 2.9130 no . .
C27 H15 2.7590 no . .
C27 H17 3.2214 no . .
C27 H31 3.3844 no . .
C28 H18 3.2176 no . .
C29 H1 3.2632 no . .
C29 H4 3.2534 no . .
C29 H7 3.2743 no . .
C29 H14 3.2308 no . .
C30 H1 3.5292 no . .
C30 H7 2.7259 no . .
C30 H23 3.2505 no . .
C30 H36 3.2516 no . .
C31 H23 3.2045 no . .
C32 H11 2.5075 no . .
C32 H12 3.0693 no . .
C32 H25 2.6132 no . .
C32 H26 3.2916 no . .
C32 H27 2.6629 no . .
B1 H3 3.5496 no . .
B1 H5 3.2846 no . .
B1 H14 3.1322 no . .
B1 H17 3.0202 no . .
B1 H19 3.5489 no . .
B1 H21 2.8937 no . .
B1 H37 2.8633 no . .
B1 H38 3.5194 no . .
H1 H22 2.8222 no . .
H1 H34 2.3245 no . .
H1 H35 2.5091 no . .
H2 H10 2.3122 no . .
H2 H24 2.3158 no . .
H3 H18 2.3131 no . .
H4 H23 2.2707 no . .
H4 H36 2.2970 no . .
H5 H8 2.4738 no . .
H5 H9 2.3025 no . .
H5 H17 2.2013 no . .
H5 H29 3.4579 no . .
H6 H18 2.2803 no . .
H6 H34 2.3193 no . .
H7 H10 2.3177 no . .
H7 H14 3.3390 no . .
H7 H30 3.2695 no . .
H7 H35 3.4946 no . .
H8 H15 2.1975 no . .
H8 H16 2.4943 no . .
H8 H29 2.6215 no . .
H9 H15 2.7791 no . .
H9 H16 2.1960 no . .
H9 H31 3.4080 no . .
H11 H19 3.4921 no . .
H11 H20 3.5357 no . .
H11 H23 2.7682 no . .
H11 H37 2.2575 no . .
H11 H38 3.4515 no . .
H11 H39 2.2857 no . .
H12 H19 2.9434 no . .
H12 H20 2.5100 no . .
H12 H21 3.5484 no . .
H12 H27 2.9670 no . .
H12 H37 3.2840 no . .
H12 H39 2.6168 no . .
H13 H19 2.4256 no . .
H13 H20 2.9026 no . .
H13 H21 3.4955 no . .
H13 H23 3.3831 no . .
H14 H23 2.3203 no . .
H15 H28 3.5772 no . .
H15 H29 2.1219 no . .
H15 H30 3.4598 no . .
H15 H31 2.7142 no . .
H15 H33 2.6288 no . .
H16 H29 3.5766 no . .
H16 H31 2.2341 no . .
H17 H19 3.1426 no . .
H17 H21 2.9920 no . .
H17 H28 2.2534 no . .
H17 H29 2.7397 no . .
H17 H32 3.3982 no . .
H20 H26 2.4839 no . .
H20 H27 2.7284 no . .
H21 H26 2.4527 no . .
H21 H27 3.3830 no . .
H22 H24 2.3111 no . .
H22 H31 2.5206 no . .
H23 H37 3.2974 no . .
H25 H37 3.4831 no . .
H25 H38 2.4210 no . .
H25 H39 2.9103 no . .
H26 H38 3.4979 no . .
H26 H39 3.5557 no . .
H27 H37 3.5342 no . .
H27 H38 2.9371 no . .
H27 H39 2.5166 no . .
H28 H32 2.2083 no . .
H28 H33 2.5066 no . .
H29 H32 2.7859 no . .
H29 H33 2.2060 no . .
H30 H31 2.2221 no . .
H30 H32 2.3027 no . .
H30 H33 2.4609 no . .
H31 H33 3.5943 no . .
H35 H36 2.3556 no . .
O1 H6 3.0852 no . 2_555
O1 H7 3.2322 no . 1_554
O1 H10 2.6620 no . 1_554
O1 H34 2.6605 no . 2_555
O2 H32 3.3417 no . 2_666
O2 H33 3.0804 no . 2_666
O3 H6 3.2798 no . 2_555
O3 H10 2.6818 no . 1_554
C1 H18 3.5923 no . 2_555
C2 H34 3.4706 no . 2_555
C3 H3 3.3139 no . 1_556
C3 H8 3.4102 no . 2_566
C3 H18 3.2334 no . 1_556
C3 H27 3.4104 no . 1_456
C4 H2 3.3358 no . 1_554
C4 H6 3.5005 no . 2_555
C4 H12 3.3611 no . 1_455
C5 H4 3.2060 no . 2_656
C5 H25 3.3881 no . 1_556
C5 H36 3.1244 no . 2_656
C5 H38 3.4871 no . 2_655
C6 H20 3.0188 no . 2_665
C7 H3 3.5624 no . 2_555
C7 H37 3.4633 no . 2_555
C7 H38 3.2239 no . 2_555
C7 H39 3.0662 no . 1_455
C8 H34 3.4724 no . 2_556
C10 H8 3.4132 no . 2_565
C10 H9 3.2575 no . 2_565
C10 H20 3.2332 no . 2_665
C11 H3 3.3373 no . 1_556
C11 H5 3.3913 no . 1_556
C11 H34 3.3686 no . 2_556
C12 H9 3.5358 no . 1_655
C12 H16 3.3353 no . 1_655
C12 H22 3.5296 no . 1_655
C12 H31 3.4661 no . 1_655
C12 H33 3.1372 no . 2_666
C13 H28 3.2730 no . 2_666
C14 H13 3.2635 no . 1_455
C14 H30 3.5390 no . 2_566
C14 H31 3.1481 no . 2_566
C15 H20 3.3288 no . 2_665
C15 H21 3.4607 no . 2_665
C15 H32 3.2488 no . 2_666
C16 H2 3.4122 no . 1_554
C16 H35 3.4925 no . 2_555
C16 H39 2.9767 no . 1_455
C17 H5 3.2570 no . 2_665
C17 H8 3.4976 no . 2_665
C17 H17 3.5807 no . 2_665
C18 H15 3.3162 no . 2_566
C19 H33 3.5313 no . 2_666
C21 H25 3.3207 no . 1_556
C22 H8 3.4083 no . 2_566
C22 H15 3.0921 no . 2_566
C22 H27 3.1354 no . 1_456
C22 H29 3.5005 no . 2_566
C22 H36 3.4919 no . 2_556
C23 H7 3.5386 no . 1_554
C23 H24 3.1886 no . 1_654
C23 H36 3.4657 no . 2_655
C24 H14 3.3131 no . 2_666
C24 H26 3.3472 no . 2_665
C24 H32 3.0750 no . 2_666
C25 H16 3.0868 no . 2_566
C26 H13 3.3493 no . 1_455
C26 H15 3.2432 no . 2_566
C26 H16 3.1899 no . 2_566
C26 H31 3.5764 no . 2_566
C27 H13 3.2621 no . 2_666
C27 H14 3.5757 no . 2_666
C27 H16 3.5948 no . 2_566
C27 H19 3.5814 no . 2_666
C27 H28 3.4471 no . 2_666
C27 H32 3.2727 no . 2_666
C28 H10 3.5856 no . 2_556
C28 H38 3.1266 no . 2_555
C29 H6 3.2949 no . 2_555
C29 H18 3.0008 no . 2_555
C30 H6 3.4345 no . 2_555
C31 H4 2.9509 no . 2_656
C31 H6 3.5162 no . 2_555
C31 H18 3.2659 no . 2_555
C32 H6 3.1787 no . 2_555
C32 H34 3.3685 no . 2_555
C32 H38 3.5769 no . 2_655
B1 H6 3.2480 no . 2_555
B1 H10 2.9723 no . 1_554
H1 H35 3.3557 no . 2_556
H2 C4 3.3358 no . 1_556
H2 C16 3.4122 no . 1_556
H2 H3 2.7535 no . 1_556
H2 H5 3.4541 no . 1_556
H2 H8 3.2037 no . 2_566
H2 H9 3.1740 no . 1_556
H2 H12 2.9568 no . 1_456
H2 H18 2.8902 no . 1_556
H2 H27 2.9760 no . 1_456
H3 C3 3.3139 no . 1_554
H3 C7 3.5624 no . 2_555
H3 C11 3.3373 no . 1_554
H3 H2 2.7535 no . 1_554
H3 H6 3.4659 no . 2_555
H3 H10 2.7952 no . 1_554
H3 H12 3.2650 no . 1_455
H4 C5 3.2060 no . 2_656
H4 C31 2.9509 no . 2_656
H4 H4 3.0335 no . 2_656
H4 H25 3.2556 no . 2_655
H4 H36 2.5648 no . 2_656
H4 H38 3.1168 no . 2_655
H5 C11 3.3913 no . 1_554
H5 C17 3.2570 no . 2_665
H5 H2 3.4541 no . 1_554
H5 H10 2.9128 no . 1_554
H5 H19 3.1087 no . 2_665
H5 H20 2.8458 no . 2_665
H5 H21 3.2847 no . 2_665
H6 O1 3.0852 no . 2_555
H6 O3 3.2798 no . 2_555
H6 C4 3.5005 no . 2_555
H6 C29 3.2949 no . 2_555
H6 C30 3.4345 no . 2_555
H6 C31 3.5162 no . 2_555
H6 C32 3.1787 no . 2_555
H6 B1 3.2480 no . 2_555
H6 H3 3.4659 no . 2_555
H6 H35 3.5695 no . 2_555
H6 H37 2.7285 no . 2_555
H6 H38 2.8592 no . 2_555
H6 H39 3.0977 no . 1_455
H7 O1 3.2322 no . 1_556
H7 C23 3.5386 no . 1_556
H7 H25 3.1303 no . 1_556
H7 H26 3.1863 no . 1_556
H7 H34 3.1967 no . 2_556
H8 C3 3.4102 no . 2_566
H8 C10 3.4132 no . 2_565
H8 C17 3.4976 no . 2_665
H8 C22 3.4083 no . 2_566
H8 H2 3.2037 no . 2_566
H8 H8 3.2857 no . 2_565
H8 H9 2.6921 no . 2_565
H8 H20 2.5810 no . 2_665
H8 H24 3.1964 no . 2_566
H9 C10 3.2575 no . 2_565
H9 C12 3.5358 no . 1_455
H9 H2 3.1740 no . 1_554
H9 H8 2.6921 no . 2_565
H9 H9 2.9528 no . 2_565
H9 H12 2.9188 no . 1_455
H9 H13 3.3114 no . 1_455
H9 H19 3.5937 no . 1_455
H9 H20 3.1923 no . 1_455
H10 O1 2.6620 no . 1_556
H10 O3 2.6818 no . 1_556
H10 C28 3.5856 no . 2_556
H10 B1 2.9723 no . 1_556
H10 H3 2.7952 no . 1_556
H10 H5 2.9128 no . 1_556
H10 H34 3.0171 no . 2_556
H11 H22 3.0320 no . 1_655
H11 H33 3.4196 no . 2_666
H12 C4 3.3611 no . 1_655
H12 H2 2.9568 no . 1_654
H12 H3 3.2650 no . 1_655
H12 H9 2.9188 no . 1_655
H12 H16 3.2969 no . 1_655
H12 H31 3.4756 no . 1_655
H13 C14 3.2635 no . 1_655
H13 C26 3.3493 no . 1_655
H13 C27 3.2621 no . 2_666
H13 H9 3.3114 no . 1_655
H13 H16 2.5687 no . 1_655
H13 H22 3.2512 no . 1_655
H13 H31 2.7823 no . 1_655
H13 H32 3.5932 no . 2_666
H13 H33 2.3218 no . 2_666
H14 C24 3.3131 no . 2_666
H14 C27 3.5757 no . 2_666
H14 H28 2.5845 no . 2_666
H14 H29 3.4767 no . 2_666
H14 H32 3.3915 no . 2_666
H14 H33 3.3948 no . 2_666
H15 C18 3.3162 no . 2_566
H15 C22 3.0921 no . 2_566
H15 C26 3.2432 no . 2_566
H15 H16 3.5094 no . 2_566
H15 H22 3.3684 no . 2_566
H15 H24 2.9808 no . 2_566
H15 H30 3.4203 no . 2_566
H15 H31 2.6132 no . 2_566
H16 C12 3.3353 no . 1_455
H16 C25 3.0868 no . 2_566
H16 C26 3.1899 no . 2_566
H16 C27 3.5948 no . 2_566
H16 H12 3.2969 no . 1_455
H16 H13 2.5687 no . 1_455
H16 H15 3.5094 no . 2_566
H16 H19 3.1225 no . 1_455
H16 H30 2.8049 no . 2_566
H16 H31 2.9831 no . 2_566
H16 H33 3.0642 no . 2_566
H17 C17 3.5807 no . 2_665
H17 H20 3.3506 no . 2_665
H17 H21 3.0382 no . 2_665
H17 H32 2.8736 no . 2_666
H18 C1 3.5923 no . 2_555
H18 C3 3.2334 no . 1_554
H18 C29 3.0008 no . 2_555
H18 C31 3.2659 no . 2_555
H18 H2 2.8902 no . 1_554
H18 H35 2.7181 no . 2_555
H18 H36 3.1699 no . 2_555
H18 H39 2.9494 no . 1_455
H19 C27 3.5814 no . 2_666
H19 H5 3.1087 no . 2_665
H19 H9 3.5937 no . 1_655
H19 H16 3.1225 no . 1_655
H19 H30 3.4376 no . 2_666
H19 H32 3.3322 no . 2_666
H19 H33 3.0905 no . 2_666
H20 C6 3.0188 no . 2_665
H20 C10 3.2332 no . 2_665
H20 C15 3.3288 no . 2_665
H20 H5 2.8458 no . 2_665
H20 H8 2.5810 no . 2_665
H20 H9 3.1923 no . 1_655
H20 H17 3.3506 no . 2_665
H20 H29 3.3856 no . 2_665
H21 C15 3.4607 no . 2_665
H21 H5 3.2847 no . 2_665
H21 H17 3.0382 no . 2_665
H21 H21 3.4253 no . 2_665
H22 C12 3.5296 no . 1_455
H22 H11 3.0320 no . 1_455
H22 H13 3.2512 no . 1_455
H22 H15 3.3684 no . 2_566
H22 H23 3.0548 no . 1_455
H23 H22 3.0548 no . 1_655
H23 H24 2.9799 no . 1_655
H23 H25 3.5702 no . 1_556
H23 H28 3.4669 no . 2_666
H23 H29 3.2514 no . 2_666
H23 H33 3.3385 no . 2_666
H24 C23 3.1886 no . 1_456
H24 H8 3.1964 no . 2_566
H24 H15 2.9808 no . 2_566
H24 H23 2.9799 no . 1_455
H24 H25 3.4656 no . 1_456
H24 H26 3.2967 no . 1_456
H24 H27 2.4069 no . 1_456
H24 H29 2.8208 no . 2_566
H24 H36 3.2277 no . 2_556
H25 C5 3.3881 no . 1_554
H25 C21 3.3207 no . 1_554
H25 H4 3.2556 no . 2_655
H25 H7 3.1303 no . 1_554
H25 H23 3.5702 no . 1_554
H25 H24 3.4656 no . 1_654
H25 H34 3.2364 no . 2_555
H25 H36 3.0303 no . 2_655
H26 C24 3.3472 no . 2_665
H26 H7 3.1863 no . 1_554
H26 H24 3.2967 no . 1_654
H26 H28 2.9947 no . 2_665
H26 H29 2.9565 no . 2_665
H27 C3 3.4104 no . 1_654
H27 C22 3.1354 no . 1_654
H27 H2 2.9760 no . 1_654
H27 H24 2.4069 no . 1_654
H27 H29 3.4614 no . 2_665
H27 H36 3.0180 no . 2_655
H28 C13 3.2730 no . 2_666
H28 C27 3.4471 no . 2_666
H28 H14 2.5845 no . 2_666
H28 H23 3.4669 no . 2_666
H28 H26 2.9947 no . 2_665
H28 H32 2.5408 no . 2_666
H29 C22 3.5005 no . 2_566
H29 H14 3.4767 no . 2_666
H29 H20 3.3856 no . 2_665
H29 H23 3.2514 no . 2_666
H29 H24 2.8208 no . 2_566
H29 H26 2.9565 no . 2_665
H29 H27 3.4614 no . 2_665
H30 C14 3.5390 no . 2_566
H30 H15 3.4203 no . 2_566
H30 H16 2.8049 no . 2_566
H30 H19 3.4376 no . 2_666
H31 C12 3.4661 no . 1_455
H31 C14 3.1481 no . 2_566
H31 C26 3.5764 no . 2_566
H31 H12 3.4756 no . 1_455
H31 H13 2.7823 no . 1_455
H31 H15 2.6132 no . 2_566
H31 H16 2.9831 no . 2_566
H31 H33 3.3955 no . 2_566
H32 O2 3.3417 no . 2_666
H32 C15 3.2488 no . 2_666
H32 C24 3.0750 no . 2_666
H32 C27 3.2727 no . 2_666
H32 H13 3.5932 no . 2_666
H32 H14 3.3915 no . 2_666
H32 H17 2.8736 no . 2_666
H32 H19 3.3322 no . 2_666
H32 H28 2.5408 no . 2_666
H32 H32 2.6212 no . 2_666
H33 O2 3.0804 no . 2_666
H33 C12 3.1372 no . 2_666
H33 C19 3.5313 no . 2_666
H33 H11 3.4196 no . 2_666
H33 H13 2.3218 no . 2_666
H33 H14 3.3948 no . 2_666
H33 H16 3.0642 no . 2_566
H33 H19 3.0905 no . 2_666
H33 H23 3.3385 no . 2_666
H33 H31 3.3955 no . 2_566
H34 O1 2.6605 no . 2_555
H34 C2 3.4706 no . 2_555
H34 C8 3.4724 no . 2_556
H34 C11 3.3686 no . 2_556
H34 C32 3.3685 no . 2_555
H34 H7 3.1967 no . 2_556
H34 H10 3.0171 no . 2_556
H34 H25 3.2364 no . 2_555
H34 H37 3.5777 no . 2_555
H34 H38 2.7031 no . 2_555
H35 C16 3.4925 no . 2_555
H35 H1 3.3557 no . 2_556
H35 H6 3.5695 no . 2_555
H35 H18 2.7181 no . 2_555
H36 C5 3.1244 no . 2_656
H36 C22 3.4919 no . 2_556
H36 C23 3.4657 no . 2_655
H36 H4 2.5648 no . 2_656
H36 H18 3.1699 no . 2_555
H36 H24 3.2277 no . 2_556
H36 H25 3.0303 no . 2_655
H36 H27 3.0180 no . 2_655
H36 H38 3.5266 no . 2_655
H36 H39 3.4855 no . 2_655
H37 C7 3.4633 no . 2_555
H37 H6 2.7285 no . 2_555
H37 H34 3.5777 no . 2_555
H37 H38 3.1935 no . 2_655
H38 C5 3.4871 no . 2_655
H38 C7 3.2239 no . 2_555
H38 C28 3.1266 no . 2_555
H38 C32 3.5769 no . 2_655
H38 H4 3.1168 no . 2_655
H38 H6 2.8592 no . 2_555
H38 H34 2.7031 no . 2_555
H38 H36 3.5266 no . 2_655
H38 H37 3.1935 no . 2_655
H38 H38 3.3914 no . 2_655
H38 H39 3.5708 no . 2_655
H39 C7 3.0662 no . 1_655
H39 C16 2.9767 no . 1_655
H39 H6 3.0977 no . 1_655
H39 H18 2.9494 no . 1_655
H39 H36 3.4855 no . 2_655
H39 H38 3.5708 no . 2_655
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_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
P1 Rh1 O3 B1 -120.0(3) no . . . .
O3 Rh1 P1 C9 174.15(9) no . . . .
O3 Rh1 P1 C20 -64.33(9) no . . . .
O3 Rh1 P1 C30 52.66(8) no . . . .
P1 Rh1 C6 C10 63.9(4) no . . . .
P1 Rh1 C6 C15 -172.80(17) no . . . .
C6 Rh1 P1 C9 -110.3(3) no . . . .
C6 Rh1 P1 C20 11.2(4) no . . . .
C6 Rh1 P1 C30 128.2(3) no . . . .
P1 Rh1 C25 C26 -94.44(15) no . . . .
P1 Rh1 C25 C27 144.2(3) no . . . .
C25 Rh1 P1 C9 12.25(15) no . . . .
C25 Rh1 P1 C20 133.78(15) no . . . .
C25 Rh1 P1 C30 -109.23(14) no . . . .
P1 Rh1 C26 C14 -152.13(18) no . . . .
P1 Rh1 C26 C25 89.14(15) no . . . .
C26 Rh1 P1 C9 -27.01(12) no . . . .
C26 Rh1 P1 C20 94.51(12) no . . . .
C26 Rh1 P1 C30 -148.50(11) no . . . .
O3 Rh1 C6 C10 139.33(18) no . . . .
O3 Rh1 C6 C15 -97.34(18) no . . . .
C6 Rh1 O3 B1 80.9(3) no . . . .
O3 Rh1 C15 C6 82.60(19) no . . . .
O3 Rh1 C15 C24 -158.4(3) no . . . .
C15 Rh1 O3 B1 44.2(3) no . . . .
O3 Rh1 C26 C14 -54.8(5) no . . . .
O3 Rh1 C26 C25 -173.5(3) no . . . .
C26 Rh1 O3 B1 141.0(4) no . . . .
C6 Rh1 C15 C6 0.0(2) no . . . .
C6 Rh1 C15 C24 119.0(4) no . . . .
C15 Rh1 C6 C10 -123.3(4) no . . . .
C15 Rh1 C6 C15 0.0(2) no . . . .
C6 Rh1 C25 C26 67.4(2) no . . . .
C6 Rh1 C25 C27 -54.0(3) no . . . .
C25 Rh1 C6 C10 -58.2(2) no . . . .
C25 Rh1 C6 C15 65.2(2) no . . . .
C6 Rh1 C26 C14 6.3(2) no . . . .
C6 Rh1 C26 C25 -112.42(18) no . . . .
C26 Rh1 C6 C10 -22.10(19) no . . . .
C26 Rh1 C6 C15 101.23(19) no . . . .
C15 Rh1 C25 C26 100.9(2) no . . . .
C15 Rh1 C25 C27 -20.5(3) no . . . .
C25 Rh1 C15 C6 -114.6(2) no . . . .
C25 Rh1 C15 C24 4.4(3) no . . . .
C15 Rh1 C26 C14 42.5(2) no . . . .
C15 Rh1 C26 C25 -76.28(19) no . . . .
C26 Rh1 C15 C6 -76.2(2) no . . . .
C26 Rh1 C15 C24 42.7(3) no . . . .
C25 Rh1 C26 C14 118.7(3) no . . . .
C25 Rh1 C26 C25 0.0(2) no . . . .
C26 Rh1 C25 C26 0.00(19) no . . . .
C26 Rh1 C25 C27 -121.4(4) no . . . .
Rh1 P1 C9 C8 -97.2(3) no . . . .
Rh1 P1 C9 C18 79.0(3) no . . . .
Rh1 P1 C20 C1 -163.1(2) no . . . .
Rh1 P1 C20 C4 19.2(3) no . . . .
Rh1 P1 C30 C13 21.3(3) no . . . .
Rh1 P1 C30 C29 -155.2(2) no . . . .
C9 P1 C20 C1 -33.0(3) no . . . .
C9 P1 C20 C4 149.2(3) no . . . .
C20 P1 C9 C8 136.6(3) no . . . .
C20 P1 C9 C18 -47.1(3) no . . . .
C9 P1 C30 C13 -108.4(3) no . . . .
C9 P1 C30 C29 75.1(3) no . . . .
C30 P1 C9 C8 27.2(3) no . . . .
C30 P1 C9 C18 -156.5(3) no . . . .
C20 P1 C30 C13 143.2(2) no . . . .
C20 P1 C30 C29 -33.3(3) no . . . .
C30 P1 C20 C1 76.4(3) no . . . .
C30 P1 C20 C4 -101.3(3) no . . . .
C2 O1 B1 O2 9.0(5) no . . . .
C2 O1 B1 O3 -170.5(4) no . . . .
B1 O1 C2 C19 -21.5(5) no . . . .
B1 O1 C2 C23 -148.8(4) no . . . .
B1 O1 C2 C32 94.5(4) no . . . .
C19 O2 B1 O1 9.2(5) no . . . .
C19 O2 B1 O3 -171.4(4) no . . . .
B1 O2 C19 C2 -21.7(5) no . . . .
B1 O2 C19 C12 -144.7(3) no . . . .
B1 O2 C19 C17 98.7(4) no . . . .
Rh1 O3 B1 O1 -161.1(2) no . . . .
Rh1 O3 B1 O2 19.6(7) no . . . .
C20 C1 C28 C7 -1.4(8) no . . . .
C28 C1 C20 P1 -176.1(4) no . . . .
C28 C1 C20 C4 1.5(7) no . . . .
O1 C2 C19 O2 26.1(5) no . . . .
O1 C2 C19 C12 144.9(4) no . . . .
O1 C2 C19 C17 -88.7(5) no . . . .
C23 C2 C19 O2 147.0(6) no . . . .
C23 C2 C19 C12 -94.2(7) no . . . .
C23 C2 C19 C17 32.1(8) no . . . .
C32 C2 C19 O2 -86.9(5) no . . . .
C32 C2 C19 C12 31.9(6) no . . . .
C32 C2 C19 C17 158.2(4) no . . . .
C11 C3 C22 C18 0.6(8) no . . . .
C22 C3 C11 C8 -0.5(8) no . . . .
C16 C4 C20 P1 176.8(4) no . . . .
C16 C4 C20 C1 -1.0(6) no . . . .
C20 C4 C16 C7 0.3(7) no . . . .
C21 C5 C31 C29 1.2(9) no . . . .
C31 C5 C21 C13 -1.4(9) no . . . .
Rh1 C6 C10 C14 34.8(4) no . . . .
Rh1 C6 C15 Rh1 -0.000(17) no . . . .
Rh1 C6 C15 C24 -103.4(4) no . . . .
C10 C6 C15 Rh1 99.9(5) no . . . .
C10 C6 C15 C24 -3.5(7) no . . . .
C15 C6 C10 C14 -46.2(6) no . . . .
C16 C7 C28 C1 0.7(8) no . . . .
C28 C7 C16 C4 -0.1(8) no . . . .
C9 C8 C11 C3 0.2(7) no . . . .
C11 C8 C9 P1 176.2(4) no . . . .
C11 C8 C9 C18 -0.0(6) no . . . .
P1 C9 C18 C22 -176.2(3) no . . . .
C8 C9 C18 C22 0.1(6) no . . . .
C6 C10 C14 C26 -31.1(5) no . . . .
C21 C13 C30 P1 -174.9(4) no . . . .
C21 C13 C30 C29 1.6(6) no . . . .
C30 C13 C21 C5 0.0(7) no . . . .
C10 C14 C26 Rh1 11.0(4) no . . . .
C10 C14 C26 C25 91.5(4) no . . . .
Rh1 C15 C24 C27 12.4(5) no . . . .
C6 C15 C24 C27 92.7(6) no . . . .
C9 C18 C22 C3 -0.4(7) no . . . .
C15 C24 C27 C25 -30.5(7) no . . . .
Rh1 C25 C26 Rh1 0.000(17) no . . . .
Rh1 C25 C26 C14 -104.9(4) no . . . .
Rh1 C25 C27 C24 34.0(6) no . . . .
C26 C25 C27 C24 -47.0(7) no . . . .
C27 C25 C26 Rh1 102.9(5) no . . . .
C27 C25 C26 C14 -1.9(7) no . . . .
C30 C29 C31 C5 0.5(8) no . . . .
C31 C29 C30 P1 174.6(4) no . . . .
C31 C29 C30 C13 -1.9(6) no . . . .
