#------------------------------------------------------------------------------
#$Date: 2020-05-05 15:47:39 +0300 (Tue, 05 May 2020) $
#$Revision: 251578 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/62/7126241.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_7126241
loop_
_publ_author_name
'Bukvic, Alexander J.'
'Crivoi, Dana Georgiana'
'Garwood, Hollie G.'
'McKay, Alasdair I.'
'Chen, Thomas T. D.'
'Martínez-Martínez, Antonio J'
'Weller, Andrew S.'
_publ_section_title
;
 Tolerant to air σ-alkane complexes by surface modification of single
 crystalline solid-state molecular organometallics using vapour-phase
 cationic polymerisation: SMOM@polymer.
;
_journal_issue                   31
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              4328
_journal_page_last               4331
_journal_paper_doi               10.1039/d0cc01140a
_journal_volume                  56
_journal_year                    2020
_chemical_formula_moiety         'C30 H58 O P2 Rh, C32 H12 B F24'
_chemical_formula_sum            'C62 H70 B F24 O P2 Rh'
_chemical_formula_weight         1462.84
_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
_audit_creation_date             2020-02-10
_audit_creation_method
;
Olex2 1.3
(compiled Nov 21 2019 18:26:39 for OlexSys, GUI svn.r6003)
;
_audit_update_record
;
2020-02-10 deposited with the CCDC.	2020-03-05 downloaded from the CCDC.
;
_cell_angle_alpha                91.699(5)
_cell_angle_beta                 95.671(7)
_cell_angle_gamma                98.347(6)
_cell_formula_units_Z            2
_cell_length_a                   12.8770(13)
_cell_length_b                   13.5514(7)
_cell_length_c                   19.2488(13)
_cell_measurement_reflns_used    4429
_cell_measurement_temperature    150.01(10)
_cell_measurement_theta_max      74.1170
_cell_measurement_theta_min      3.4640
_cell_volume                     3303.8(4)
_computing_cell_refinement       'CrysAlisPro 1.171.38.43b (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43b (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_diffrn_ambient_temperature      150.01
_diffrn_detector_area_resol_mean 10.5035
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -48.00  32.00   1.00    7.50    --  -41.40  37.00  30.00   80
  2  ω    -41.00 -12.00   1.00    7.50    --  -41.40 -77.00   0.00   29
  3  ω    -13.00  32.00   1.00    7.50    --  -41.40  37.00-180.00   45
  4  ω     31.00  96.00   1.00    7.50    --   41.40-125.00 -90.00   65
  5  ω    -79.00 -18.00   1.00    7.50    --  -41.40 125.00  60.00   61
  6  ω   -120.00  -4.00   1.00    7.50    --  -41.40 -19.00-150.00  116
  7  ω     64.00 108.00   1.00   30.00    --  111.00 -94.00-150.00   44
  8  ω     94.00 120.00   1.00   30.00    --  111.00-125.00-120.00   26
  9  ω     88.00 121.00   1.00   30.00    --  111.00-125.00 -30.00   33
 10  ω    100.00 141.00   1.00   30.00    --  111.00 -77.00 -30.00   41
 11  ω    102.00 176.00   1.00   30.00    --  111.00  15.00 -60.00   74
 12  ω    141.00 178.00   1.00   30.00    --  111.00  30.00-120.00   37
 13  ω    137.00 177.00   1.00   30.00    --  111.00  77.00-180.00   40
 14  ω    125.00 171.00   1.00   30.00    --  111.00 125.00 -90.00   46
 15  ω    122.00 178.00   1.00   30.00    --  111.00  30.00-150.00   56
 16  ω    107.00 143.00   1.00   30.00    --  111.00  15.00-180.00   36
 17  ω     91.00 120.00   1.00   30.00    --  111.00  30.00-150.00   29
 18  ω     81.00 129.00   1.00   30.00    --  111.00  77.00-180.00   48
 19  ω     68.00  93.00   1.00   30.00    --  111.00  15.00-180.00   25
 20  ω     48.00  90.00   1.00   30.00    --  111.00 -30.00-120.00   42
 21  ω     65.00  99.00   1.00   30.00    --  111.00 -45.00 -90.00   34
 22  ω     69.00  99.00   1.00   30.00    --  111.00 -45.00 -60.00   30
 23  ω     65.00  90.00   1.00   30.00    --  111.00 -30.00 -60.00   25
 24  ω     58.00  98.00   1.00   30.00    --  111.00 -45.00   0.00   40
 25  ω     51.00  78.00   1.00   30.00    --  111.00 -77.00 -30.00   27
 26  ω     50.00  94.00   1.00   30.00    --  111.00 -94.00 -30.00   44
 27  ω     79.00 121.00   1.00   30.00    --  111.00-125.00  60.00   42
 28  ω     91.00 116.00   1.00   30.00    --  111.00-125.00 120.00   25
 29  ω     91.00 121.00   1.00   30.00    --  111.00-125.00 150.00   30
 30  ω     64.00  91.00   1.00   30.00    --  111.00-125.00  90.00   27
 31  ω     64.00 106.00   1.00   30.00    --  111.00 -94.00 120.00   42
 32  ω     54.00  81.00   1.00   30.00    --  111.00-125.00 120.00   27
 33  ω     40.00  79.00   1.00   30.00    --  111.00 -45.00  60.00   39
 34  ω     68.00 114.00   1.00   30.00    --  111.00  15.00  60.00   46
 35  ω    130.00 157.00   1.00   30.00    --  111.00  15.00  60.00   27
 36  ω     42.00  69.00   1.00   30.00    --  111.00 -45.00-150.00   27
 37  ω     41.00 112.00   1.00   30.00    --  111.00 -61.00-180.00   71
 38  ω     44.00  87.00   1.00   30.00    --  111.00-125.00-180.00   43
 39  ω     30.00  83.00   1.00   30.00    --  111.00 -94.00-180.00   53
 40  ω     36.00  89.00   1.00   30.00    --  111.00 -30.00-180.00   53
 41  ω     41.00  68.00   1.00   30.00    --  111.00 -45.00 -60.00   27
 42  ω     34.00 106.00   1.00   30.00    --  111.00 -94.00 -60.00   72
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0943
_diffrn_reflns_av_unetI/netI     0.0952
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.972
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            36581
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.972
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.851
_diffrn_reflns_theta_min         3.943
_exptl_absorpt_coefficient_mu    3.510
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.88597
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.43b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'dark brown'
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.470
_exptl_crystal_description       block
_exptl_crystal_F_000             1492
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.588
_refine_diff_density_min         -1.380
_refine_diff_density_rms         0.138
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     989
_refine_ls_number_reflns         13564
_refine_ls_number_restraints     601
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.1406
_refine_ls_R_factor_gt           0.0900
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1457P)²+12.1282P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2537
_refine_ls_wR_factor_ref         0.2993
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8537
_reflns_number_total             13564
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0cc01140a3.cif
_cod_data_source_block           exp_4230
_cod_depositor_comments
'Adding full bibliography for 7126239--7126241.cif.'
_cod_database_code               7126241
_shelx_shelxl_version_number     2018/3
_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   0.540
_shelx_estimated_absorpt_t_min   0.419
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 F17-F18 \\sim F18-F16 \\sim F16-F17 \\sim F16A-F18A \\sim F18A-F17A \\sim
F17A-F16A
 with sigma of 0.04
 C54-F16 \\sim C54-F18 \\sim C54-F17 \\sim C54-F17A \\sim C54-F18A \\sim
C54-F16A
 with sigma of 0.02
 F14-F13 \\sim F14-F15 \\sim F13-F15 \\sim F13A-F14A \\sim F13A-F15A \\sim
F14A-F15A
 with sigma of 0.04
 C53-F14 \\sim C53-F13 \\sim C53-F15 \\sim C53-F13A \\sim C53-F14A \\sim
C53-F15A
 with sigma of 0.02
 F6-F5 \\sim F6-F4 \\sim F5-F4 \\sim F6A-F4A \\sim F6A-F5A \\sim F4A-F5A
 with sigma of 0.04
 C37-F6 \\sim C37-F5 \\sim C37-F4 \\sim C37-F6A \\sim C37-F4A \\sim C37-F5A
 with sigma of 0.02
 F11-F10 \\sim F11-F12 \\sim F10-F12 \\sim F11A-F10A \\sim F11A-F12A \\sim
F10A-F12A
 with sigma of 0.04
 C46-F11 \\sim C46-F10 \\sim C46-F12 \\sim C46-F11A \\sim C46-F10A \\sim
C46-F12A
 with sigma of 0.02
 P2-C21 \\sim P2-C21A
 with sigma of 0.02
 C26A-C21A \\sim C22A-C21A \\sim C26-C21 \\sim C22-C21
 with sigma of 0.02
 C26-C25 \\sim C26A-C25A \\sim C23-C22 \\sim C23A-C22A
 with sigma of 0.02
 C24-C23 \\sim C24A-C23A \\sim C25-C24 \\sim C25A-C24A
 with sigma of 0.02
 C21-C23 \\sim C23-C25 \\sim C25-C21 \\sim C21A-C23A \\sim C23A-C25A \\sim
C25A-C21A
 with sigma of 0.02
 C22-C24 \\sim C24-C26 \\sim C26-C22 \\sim C22A-C24A \\sim C24A-C26A \\sim
C26A-C22A
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C54 \\sim F17 \\sim F18 \\sim F16: within 2A with sigma of 0.04 and sigma for
terminal atoms of 0.08 within 2A
C54 \\sim F16A \\sim F18A \\sim F17A: within 2A with sigma of 0.04 and sigma
for terminal atoms of 0.08 within 2A
C37 \\sim F4A \\sim F6A \\sim F5A: within 2A with sigma of 0.04 and sigma for
terminal atoms of 0.08 within 2A
C37 \\sim F4 \\sim F5 \\sim F6: within 2A with sigma of 0.04 and sigma for
terminal atoms of 0.08 within 2A
C46 \\sim F11 \\sim F12 \\sim F10: within 2A with sigma of 0.04 and sigma for
terminal atoms of 0.08 within 2A
C46 \\sim F11A \\sim F12A \\sim F10A: within 2A with sigma of 0.04 and sigma
for terminal atoms of 0.08 within 2A
P2 \\sim C21 \\sim C22 \\sim C23 \\sim C24 \\sim C25 \\sim C26: within 2A with
sigma of 0.04 and sigma for terminal atoms of 0.08 within 2A
P2 \\sim C21A \\sim C22A \\sim C23A \\sim C24A \\sim C25A \\sim C26A: within 2A
with sigma of 0.04 and sigma for terminal atoms of 0.08 within 2A
Uanis(F16) \\sim Ueq, Uanis(F16A) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
4. Rigid body (RIGU) restrains
 C53, F13, F14, F15
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C53, F15A, F13A, F14A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C54, F17, F18, F16
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C54, F16A, F18A, F17A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C37, F5, F6, F4
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C37, F4A, F5A, F6A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C46, F10A, F11A, F12A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C46, F11, F10, F12
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 P2, C21, C22, C23, C24, C25, C26
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 P2, C21A, C22A, C23A, C24A, C25A, C26A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Sof(F13A)=Sof(F14A)=Sof(F15A)=1-FVAR(1)
 Sof(F14)=Sof(F13)=Sof(F15)=FVAR(1)
 Sof(F17A)=Sof(F18A)=Sof(F16A)=1-FVAR(2)
 Sof(F16)=Sof(F18)=Sof(F17)=FVAR(2)
 Sof(F6A)=Sof(F4A)=Sof(F5A)=1-FVAR(3)
 Sof(F6)=Sof(F5)=Sof(F4)=FVAR(3)
 Sof(F11A)=Sof(F10A)=Sof(F12A)=1-FVAR(4)
 Sof(F11)=Sof(F10)=Sof(F12)=FVAR(4)
 Sof(C21A)=Sof(H21A)=Sof(C26A)=Sof(H26C)=Sof(H26D)=Sof(C25A)=Sof(H25C)=
 Sof(H25D)=Sof(C24A)=Sof(H24C)=Sof(H24D)=Sof(C23A)=Sof(H23C)=Sof(H23D)=
 Sof(C22A)=Sof(H22C)=Sof(H22D)=1-FVAR(5)
 Sof(C22)=Sof(H22A)=Sof(H22B)=Sof(C21)=Sof(H21)=Sof(C23)=Sof(H23A)=Sof(H23B)=
 Sof(C24)=Sof(H24A)=Sof(H24B)=Sof(C26)=Sof(H26A)=Sof(H26B)=Sof(C25)=Sof(H25A)=
 Sof(H25B)=FVAR(5)
6.a Ternary CH refined with riding coordinates:
 C1(H1), C15(H15), C7(H7), C21(H21), C21A(H21A)
6.b Secondary CH2 refined with riding coordinates:
 C13(H13A,H13B), C14(H14A,H14B), C6(H6A,H6B), C28(H28A,H28B), C19(H19A,H19B),
 C12(H12A,H12B), C10(H10A,H10B), C5(H5A,H5B), C2(H2A,H2B), C20(H20A,H20B),
 C9(H9A,H9B), C29(H29A,H29B), C16(H16A,H16B), C18(H18A,H18B), C8(H8A,H8B),
 C4(H4A,H4B), C17(H17A,H17B), C22(H22A,H22B), C3(H3A,H3B), C11(H11A,H11B),
 C23(H23A,H23B), C24(H24A,H24B), C26(H26A,H26B), C25(H25A,H25B), C26A(H26C,
 H26D), C25A(H25C,H25D), C24A(H24C,H24D), C23A(H23C,H23D), C22A(H22C,H22D)
6.c Aromatic/amide H refined with riding coordinates:
 C32(H32), C36(H36), C40(H40), C48(H48), C52(H52), C56(H56), C34(H34),
 C44(H44), C60(H60), C50(H50), C58(H58), C42(H42)
6.d Idealised Me refined as rotating group:
 C27(H27A,H27B,H27C), C30(H30A,H30B,H30C)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
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
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.71661(5) 0.69865(4) 0.27235(3) 0.0465(2) Uani 1 1 d . . . . .
P1 P 0.72233(17) 0.86010(14) 0.28094(10) 0.0433(4) Uani 1 1 d . . . . .
P2 P 0.88076(17) 0.73298(15) 0.24890(11) 0.0474(5) Uani 1 1 d D U . . .
F1 F 0.3073(6) 0.5171(4) 0.4696(3) 0.0762(17) Uani 1 1 d . . . . .
F3 F 0.3976(6) 0.4425(5) 0.5441(3) 0.0810(18) Uani 1 1 d . . . . .
O1 O 0.5575(5) 0.6312(4) 0.2941(3) 0.0524(13) Uani 1 1 d . . . . .
F20 F 0.1978(6) -0.1076(5) 0.3420(4) 0.089(2) Uani 1 1 d . . . . .
F2 F 0.2361(5) 0.3818(5) 0.5091(3) 0.0797(18) Uani 1 1 d . . . . .
F6 F 0.588(4) 0.1468(10) 0.3968(17) 0.086(7) Uani 0.54(5) 1 d D U P A 1
F21 F 0.3555(6) -0.1028(6) 0.3222(5) 0.108(3) Uani 1 1 d . . . . .
F11 F 0.493(3) 0.337(2) 0.0078(11) 0.096(6) Uani 0.49(7) 1 d D U P B 1
C31 C 0.3160(6) 0.2824(5) 0.3139(4) 0.0409(16) Uani 1 1 d . . . . .
F5 F 0.6349(19) 0.2576(19) 0.3280(10) 0.075(5) Uani 0.54(5) 1 d D U P A 1
F9 F 0.2016(9) 0.6231(5) 0.1789(4) 0.114(3) Uani 1 1 d . . . . .
F22 F 0.1092(7) -0.0225(8) 0.0166(4) 0.116(3) Uani 1 1 d . . . . .
F23 F 0.2621(7) 0.0524(7) 0.0046(4) 0.110(3) Uani 1 1 d . . . . .
C32 C 0.4153(6) 0.2510(5) 0.3235(4) 0.0439(16) Uani 1 1 d . . . . .
H32 H 0.434992 0.208871 0.288298 0.053 Uiso 1 1 calc R U . . .
C39 C 0.2824(7) 0.3347(6) 0.1869(4) 0.0452(17) Uani 1 1 d . . . . .
C1 C 0.6202(7) 0.9111(5) 0.2253(4) 0.0472(17) Uani 1 1 d . . . . .
H1 H 0.552290 0.890417 0.245571 0.057 Uiso 1 1 calc R U . . .
F19 F 0.2344(8) -0.2059(5) 0.2646(5) 0.116(3) Uani 1 1 d . . . . .
C36 C 0.2931(7) 0.3441(5) 0.3681(4) 0.0428(16) Uani 1 1 d . . . . .
H36 H 0.228391 0.370377 0.363366 0.051 Uiso 1 1 calc R U . . .
C40 C 0.2431(7) 0.4248(6) 0.1772(4) 0.0495(18) Uani 1 1 d . . . . .
H40 H 0.184945 0.437439 0.201047 0.059 Uiso 1 1 calc R U . . .
F24 F 0.2404(9) -0.1013(7) 0.0251(4) 0.125(3) Uani 1 1 d . . . . .
F10 F 0.568(2) 0.4676(16) 0.0696(19) 0.084(6) Uani 0.49(7) 1 d D U P B 1
F16 F -0.1678(10) 0.1820(16) 0.4043(10) 0.110(6) Uani 0.579(19) 1 d D U P C 1
C35 C 0.3614(7) 0.3687(5) 0.4288(4) 0.0466(17) Uani 1 1 d . . . . .
C33 C 0.4854(7) 0.2789(6) 0.3820(4) 0.0465(17) Uani 1 1 d . . . . .
C48 C 0.0389(7) 0.2697(6) 0.1987(5) 0.0501(19) Uani 1 1 d . . . . .
H48 H 0.062272 0.286670 0.154673 0.060 Uiso 1 1 calc R U . . .
C47 C 0.1132(6) 0.2523(5) 0.2522(4) 0.0429(16) Uani 1 1 d . . . . .
C13 C 0.8457(7) 0.9285(6) 0.2550(5) 0.052(2) Uani 1 1 d . . . . .
H13A H 0.836702 0.941356 0.204602 0.062 Uiso 1 1 calc R U . . .
H13B H 0.862863 0.993616 0.281408 0.062 Uiso 1 1 calc R U . . .
C15 C 0.9759(7) 0.6655(6) 0.2982(5) 0.0506(19) Uani 1 1 d . . . . .
H15 H 1.048102 0.698489 0.290170 0.061 Uiso 1 1 calc R U . . .
F4 F 0.663(2) 0.291(3) 0.4362(17) 0.135(11) Uani 0.54(5) 1 d D U P A 1
C14 C 0.9358(7) 0.8678(6) 0.2698(5) 0.057(2) Uani 1 1 d . . . . .
H14A H 0.964787 0.877453 0.319502 0.069 Uiso 1 1 calc R U . . .
H14B H 0.993120 0.889360 0.240446 0.069 Uiso 1 1 calc R U . . .
C55 C 0.2423(6) 0.1382(6) 0.2128(4) 0.0446(17) Uani 1 1 d . . . . .
C52 C 0.0728(7) 0.2238(6) 0.3149(5) 0.0478(18) Uani 1 1 d . . . . .
H52 H 0.119562 0.208211 0.352961 0.057 Uiso 1 1 calc R U . . .
C41 C 0.2864(8) 0.4969(6) 0.1335(5) 0.055(2) Uani 1 1 d . . . . .
F18 F -0.0448(13) 0.0967(8) 0.4083(7) 0.082(4) Uani 0.579(19) 1 d D U P C 1
C6 C 0.6346(8) 1.0245(6) 0.2242(5) 0.057(2) Uani 1 1 d . . . . .
H6A H 0.701363 1.048990 0.204601 0.069 Uiso 1 1 calc R U . . .
H6B H 0.639249 1.052976 0.272534 0.069 Uiso 1 1 calc R U . . .
C56 C 0.2514(6) 0.0630(5) 0.2596(4) 0.0461(17) Uani 1 1 d . . . . .
H56 H 0.261278 0.080125 0.308229 0.055 Uiso 1 1 calc R U . . .
C49 C -0.0680(7) 0.2635(7) 0.2060(5) 0.057(2) Uani 1 1 d . . . . .
C28 C 0.5563(8) 0.5255(7) 0.2848(5) 0.061(2) Uani 1 1 d . . . . .
H28A H 0.512604 0.499170 0.241194 0.074 Uiso 1 1 calc R U . . .
H28B H 0.527664 0.490075 0.324674 0.074 Uiso 1 1 calc R U . . .
C34 C 0.4587(7) 0.3370(6) 0.4368(4) 0.0478(17) Uani 1 1 d . . . . .
H34 H 0.505693 0.354023 0.478034 0.057 Uiso 1 1 calc R U . . .
C59 C 0.2245(7) 0.0105(7) 0.1179(5) 0.062(2) Uani 1 1 d . . . . .
C43 C 0.4156(8) 0.3954(8) 0.1095(5) 0.059(2) Uani 1 1 d . . . . .
F12 F 0.573(3) 0.327(4) 0.113(2) 0.130(11) Uani 0.49(7) 1 d D U P B 1
C7 C 0.7098(8) 0.9103(6) 0.3698(4) 0.0520(19) Uani 1 1 d . . . . .
H7 H 0.709144 0.983796 0.366742 0.062 Uiso 1 1 calc R U . . .
C51 C -0.0341(8) 0.2179(6) 0.3225(5) 0.055(2) Uani 1 1 d . . . . .
C37 C 0.5913(7) 0.2439(6) 0.3885(4) 0.0611(19) Uani 1 1 d D U . . .
C44 C 0.3702(7) 0.3239(7) 0.1523(4) 0.0502(18) Uani 1 1 d . . . . .
H44 H 0.400868 0.264603 0.158249 0.060 Uiso 1 1 calc R U . . .
C19 C 1.0483(8) 0.5029(7) 0.3179(6) 0.065(2) Uani 1 1 d . . . . .
H19A H 1.039896 0.431658 0.302148 0.078 Uiso 1 1 calc R U . . .
H19B H 1.120609 0.534105 0.310666 0.078 Uiso 1 1 calc R U . . .
C60 C 0.2277(7) 0.1096(6) 0.1420(5) 0.0515(19) Uani 1 1 d . . . . .
H60 H 0.219567 0.159099 0.108808 0.062 Uiso 1 1 calc R U . . .
F8 F 0.1564(10) 0.5761(8) 0.0759(6) 0.161(5) Uani 1 1 d . . . . .
C38 C 0.3248(8) 0.4281(6) 0.4876(5) 0.056(2) Uani 1 1 d . . . . .
C12 C 0.8024(8) 0.8961(7) 0.4224(5) 0.060(2) Uani 1 1 d . . . . .
H12A H 0.869027 0.927992 0.405785 0.073 Uiso 1 1 calc R U . . .
H12B H 0.805832 0.823951 0.426202 0.073 Uiso 1 1 calc R U . . .
C10 C 0.6880(10) 0.9033(7) 0.5205(5) 0.071(3) Uani 1 1 d . . . . .
H10A H 0.680461 0.940094 0.564460 0.086 Uiso 1 1 calc R U . . .
H10B H 0.687783 0.832240 0.530949 0.086 Uiso 1 1 calc R U . . .
C50 C -0.1069(7) 0.2383(7) 0.2696(6) 0.062(2) Uani 1 1 d . . . . .
H50 H -0.179534 0.235386 0.275898 0.075 Uiso 1 1 calc R U . . .
C58 C 0.2326(7) -0.0634(7) 0.1660(6) 0.063(2) Uani 1 1 d . . . . .
H58 H 0.228765 -0.131098 0.150190 0.075 Uiso 1 1 calc R U . . .
C57 C 0.2464(7) -0.0380(6) 0.2372(5) 0.056(2) Uani 1 1 d . . . . .
C42 C 0.3742(8) 0.4825(7) 0.0991(5) 0.062(2) Uani 1 1 d . . . . .
H42 H 0.404324 0.531335 0.069609 0.074 Uiso 1 1 calc R U . . .
F7 F 0.2993(9) 0.6647(7) 0.1038(7) 0.158(5) Uani 1 1 d . . . . .
F17 F -0.0065(11) 0.2390(10) 0.4480(5) 0.091(5) Uani 0.579(19) 1 d D U P C 1
B1 B 0.2370(7) 0.2536(6) 0.2417(4) 0.0417(18) Uani 1 1 d . . . . .
C5 C 0.5418(9) 1.0597(7) 0.1798(6) 0.066(3) Uani 1 1 d . . . . .
H5A H 0.475916 1.039836 0.201724 0.080 Uiso 1 1 calc R U . . .
H5B H 0.554010 1.133411 0.178835 0.080 Uiso 1 1 calc R U . . .
C2 C 0.6050(8) 0.8651(7) 0.1498(5) 0.058(2) Uani 1 1 d . . . . .
H2A H 0.670607 0.883029 0.127335 0.070 Uiso 1 1 calc R U . . .
H2B H 0.590575 0.791429 0.151088 0.070 Uiso 1 1 calc R U . . .
C20 C 0.9671(8) 0.5553(6) 0.2741(5) 0.054(2) Uani 1 1 d . . . . .
H20A H 0.979330 0.550735 0.224220 0.065 Uiso 1 1 calc R U . . .
H20B H 0.895028 0.520942 0.278762 0.065 Uiso 1 1 calc R U . . .
C9 C 0.5944(9) 0.9119(8) 0.4682(5) 0.066(2) Uani 1 1 d . . . . .
H9A H 0.586809 0.983159 0.463648 0.079 Uiso 1 1 calc R U . . .
H9B H 0.529299 0.877408 0.485358 0.079 Uiso 1 1 calc R U . . .
C29 C 0.4560(7) 0.6629(7) 0.2807(6) 0.060(2) Uani 1 1 d . . . . .
H29A H 0.423070 0.636352 0.233936 0.072 Uiso 1 1 calc R U . . .
H29B H 0.464916 0.736696 0.280649 0.072 Uiso 1 1 calc R U . . .
C61 C 0.2595(8) -0.1121(7) 0.2899(7) 0.068(3) Uani 1 1 d . . . . .
C16 C 0.9670(10) 0.6754(8) 0.3760(5) 0.071(3) Uani 1 1 d . . . . .
H16A H 0.894677 0.647283 0.385354 0.085 Uiso 1 1 calc R U . . .
H16B H 0.979146 0.747026 0.390959 0.085 Uiso 1 1 calc R U . . .
C18 C 1.0334(11) 0.5105(9) 0.3940(6) 0.077(3) Uani 1 1 d . . . . .
H18A H 1.085385 0.475742 0.421150 0.092 Uiso 1 1 calc R U . . .
H18B H 0.961801 0.477756 0.401456 0.092 Uiso 1 1 calc R U . . .
C46 C 0.5081(8) 0.3760(7) 0.0726(5) 0.080(2) Uani 1 1 d D U . . .
C8 C 0.6072(9) 0.8659(8) 0.3962(5) 0.065(2) Uani 1 1 d . . . . .
H8A H 0.605240 0.792926 0.399522 0.078 Uiso 1 1 calc R U . . .
H8B H 0.547439 0.877411 0.362474 0.078 Uiso 1 1 calc R U . . .
C4 C 0.5288(10) 1.0158(8) 0.1062(6) 0.074(3) Uani 1 1 d . . . . .
H4A H 0.592188 1.039745 0.082737 0.089 Uiso 1 1 calc R U . . .
H4B H 0.467034 1.037975 0.079654 0.089 Uiso 1 1 calc R U . . .
F14 F -0.1059(16) 0.301(3) 0.0880(10) 0.128(10) Uani 0.54(4) 1 d D . P D 1
C62 C 0.2090(10) -0.0161(9) 0.0416(6) 0.077(3) Uani 1 1 d . . . . .
C27 C 0.6694(9) 0.5126(7) 0.2812(7) 0.075(3) Uani 1 1 d . . . . .
H27A H 0.693786 0.541399 0.238520 0.113 Uiso 1 1 calc R U . . .
H27B H 0.675454 0.441321 0.280600 0.113 Uiso 1 1 calc R U . . .
H27C H 0.712741 0.546609 0.322060 0.113 Uiso 1 1 calc R U . . .
C54 C -0.0698(7) 0.1914(7) 0.3922(6) 0.077(2) Uani 1 1 d D U . . .
C45 C 0.2363(11) 0.5887(8) 0.1208(6) 0.072(3) Uani 1 1 d . . . . .
C53 C -0.1458(8) 0.2846(7) 0.1482(6) 0.075(2) Uani 1 1 d D . . . .
C17 C 1.0480(12) 0.6205(9) 0.4194(7) 0.092(4) Uani 1 1 d . . . . .
H17A H 1.120744 0.652581 0.413956 0.110 Uiso 1 1 calc R U . . .
H17B H 1.037229 0.625144 0.469512 0.110 Uiso 1 1 calc R U . . .
F13 F -0.2262(18) 0.2141(15) 0.1296(14) 0.112(8) Uani 0.54(4) 1 d D . P D 1
C22 C 0.8308(13) 0.6134(11) 0.1257(7) 0.061(4) Uani 0.656(16) 1 d D U P E 1
H22A H 0.757837 0.629118 0.123134 0.073 Uiso 0.656(16) 1 calc R U P E 1
H22B H 0.835145 0.555912 0.155799 0.073 Uiso 0.656(16) 1 calc R U P E 1
C3 C 0.5131(10) 0.9028(9) 0.1067(6) 0.076(3) Uani 1 1 d . . . . .
H3A H 0.507183 0.874873 0.058116 0.091 Uiso 1 1 calc R U . . .
H3B H 0.446372 0.879014 0.126570 0.091 Uiso 1 1 calc R U . . .
C11 C 0.7906(10) 0.9429(8) 0.4957(5) 0.074(3) Uani 1 1 d . . . . .
H11A H 0.848573 0.928113 0.529673 0.089 Uiso 1 1 calc R U . . .
H11B H 0.796397 1.016289 0.493086 0.089 Uiso 1 1 calc R U . . .
C21 C 0.9076(11) 0.7033(9) 0.1572(6) 0.047(3) Uani 0.656(16) 1 d D U P E 1
H21 H 0.980254 0.684727 0.159486 0.057 Uiso 0.656(16) 1 calc R U P E 1
F15 F -0.190(2) 0.3639(17) 0.1576(16) 0.134(10) Uani 0.54(4) 1 d D . P D 1
C30 C 0.3850(10) 0.6269(9) 0.3350(7) 0.085(4) Uani 1 1 d . . . . .
H30A H 0.320866 0.658260 0.329259 0.127 Uiso 1 1 calc R U . . .
H30B H 0.421802 0.644860 0.381691 0.127 Uiso 1 1 calc R U . . .
H30C H 0.365924 0.554238 0.329542 0.127 Uiso 1 1 calc R U . . .
C23 C 0.8574(14) 0.5858(10) 0.0512(6) 0.068(4) Uani 0.656(16) 1 d D U P E 1
H23A H 0.927862 0.564065 0.054287 0.082 Uiso 0.656(16) 1 calc R U P E 1
H23B H 0.804867 0.529561 0.030202 0.082 Uiso 0.656(16) 1 calc R U P E 1
C24 C 0.8569(17) 0.6745(11) 0.0052(7) 0.080(5) Uani 0.656(16) 1 d D U P E 1
H24A H 0.875997 0.655966 -0.041488 0.096 Uiso 0.656(16) 1 calc R U P E 1
H24B H 0.784961 0.692682 -0.000743 0.096 Uiso 0.656(16) 1 calc R U P E 1
C26 C 0.9052(12) 0.7932(9) 0.1099(6) 0.061(4) Uani 0.656(16) 1 d D U P E 1
H26A H 0.956462 0.850570 0.130587 0.073 Uiso 0.656(16) 1 calc R U P E 1
H26B H 0.833954 0.813195 0.106052 0.073 Uiso 0.656(16) 1 calc R U P E 1
C25 C 0.9336(15) 0.7634(11) 0.0363(7) 0.074(5) Uani 0.656(16) 1 d D U P E 1
H25A H 0.930926 0.820267 0.005383 0.089 Uiso 0.656(16) 1 calc R U P E 1
H25B H 1.006250 0.746708 0.040017 0.089 Uiso 0.656(16) 1 calc R U P E 1
F13A F -0.170(3) 0.2111(19) 0.1036(16) 0.145(13) Uani 0.46(4) 1 d D . P D 2
F14A F -0.1101(19) 0.362(2) 0.1151(18) 0.114(9) Uani 0.46(4) 1 d D . P D 2
F15A F -0.2323(18) 0.305(4) 0.1713(13) 0.142(13) Uani 0.46(4) 1 d D . P D 2
F17A F -0.0155(19) 0.144(3) 0.4344(13) 0.158(12) Uani 0.421(19) 1 d D U P C 2
F18A F -0.1711(10) 0.1425(13) 0.3784(9) 0.072(5) Uani 0.421(19) 1 d D U P C 2
F16A F -0.0978(19) 0.2768(11) 0.4216(9) 0.110(7) Uani 0.421(19) 1 d D U P C 2
F6A F 0.636(2) 0.255(2) 0.4540(8) 0.084(6) Uani 0.46(5) 1 d D U P A 2
F4A F 0.658(2) 0.288(3) 0.348(2) 0.121(11) Uani 0.46(5) 1 d D U P A 2
F5A F 0.579(3) 0.1460(10) 0.3747(18) 0.073(6) Uani 0.46(5) 1 d D U P A 2
F11A F 0.592(2) 0.447(2) 0.077(2) 0.100(7) Uani 0.51(7) 1 d D U P B 2
F10A F 0.541(3) 0.287(2) 0.086(2) 0.115(10) Uani 0.51(7) 1 d D U P B 2
F12A F 0.472(2) 0.362(2) 0.0032(6) 0.078(5) Uani 0.51(7) 1 d D U P B 2
C21A C 0.8787(19) 0.732(2) 0.1515(8) 0.061(7) Uani 0.344(16) 1 d D U P E 2
H21A H 0.853480 0.794759 0.135800 0.074 Uiso 0.344(16) 1 calc R U P E 2
C26A C 0.9919(17) 0.735(2) 0.1313(11) 0.066(7) Uani 0.344(16) 1 d D U P E 2
H26C H 1.019529 0.673311 0.145102 0.079 Uiso 0.344(16) 1 calc R U P E 2
H26D H 1.038509 0.792663 0.156058 0.079 Uiso 0.344(16) 1 calc R U P E 2
C25A C 0.991(2) 0.745(3) 0.0507(12) 0.099(11) Uani 0.344(16) 1 d D U P E 2
H25C H 0.969953 0.810284 0.037893 0.119 Uiso 0.344(16) 1 calc R U P E 2
H25D H 1.062763 0.743396 0.037108 0.119 Uiso 0.344(16) 1 calc R U P E 2
C24A C 0.915(2) 0.662(3) 0.0119(13) 0.109(12) Uani 0.344(16) 1 d D U P E 2
H24C H 0.941262 0.598140 0.020949 0.130 Uiso 0.344(16) 1 calc R U P E 2
H24D H 0.913987 0.672633 -0.038826 0.130 Uiso 0.344(16) 1 calc R U P E 2
C23A C 0.804(2) 0.656(3) 0.0325(13) 0.104(11) Uani 0.344(16) 1 d D U P E 2
H23C H 0.759161 0.597770 0.007551 0.125 Uiso 0.344(16) 1 calc R U P E 2
H23D H 0.774821 0.716894 0.018908 0.125 Uiso 0.344(16) 1 calc R U P E 2
C22A C 0.805(2) 0.645(3) 0.1130(14) 0.093(12) Uani 0.344(16) 1 d D U P E 2
H22C H 0.732197 0.644580 0.126369 0.111 Uiso 0.344(16) 1 calc R U P E 2
H22D H 0.828045 0.581090 0.126118 0.111 Uiso 0.344(16) 1 calc R U P E 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh 0.0927 3.6045 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Rh1 P2 84.97(8) . . ?
P1 Rh1 O1 107.09(17) . . ?
P1 Rh1 C27 164.8(3) . . ?
P2 Rh1 O1 167.92(16) . . ?
P2 Rh1 C27 109.2(3) . . ?
O1 Rh1 C27 58.7(3) . . ?
C1 P1 Rh1 115.8(3) . . ?
C1 P1 C13 102.9(4) . . ?
C1 P1 C7 103.8(4) . . ?
C13 P1 Rh1 112.8(3) . . ?
C13 P1 C7 105.8(4) . . ?
C7 P1 Rh1 114.6(3) . . ?
C15 P2 Rh1 116.0(3) . . ?
C15 P2 C14 103.5(4) . . ?
C15 P2 C21 100.3(5) . . ?
C15 P2 C21A 118.0(9) . . ?
C14 P2 Rh1 111.7(3) . . ?
C21 P2 Rh1 116.7(5) . . ?
C21 P2 C14 107.2(5) . . ?
C21A P2 Rh1 107.1(7) . . ?
C21A P2 C14 99.1(10) . . ?
C28 O1 Rh1 104.9(5) . . ?
C29 O1 Rh1 132.1(5) . . ?
C29 O1 C28 114.4(7) . . ?
C32 C31 B1 121.5(6) . . ?
C36 C31 C32 115.1(7) . . ?
C36 C31 B1 123.3(7) . . ?
C31 C32 H32 118.7 . . ?
C33 C32 C31 122.6(7) . . ?
C33 C32 H32 118.7 . . ?
C40 C39 B1 122.4(7) . . ?
C44 C39 C40 115.1(7) . . ?
C44 C39 B1 122.1(7) . . ?
P1 C1 H1 106.2 . . ?
C6 C1 P1 115.0(6) . . ?
C6 C1 H1 106.2 . . ?
C6 C1 C2 110.2(7) . . ?
C2 C1 P1 112.4(6) . . ?
C2 C1 H1 106.2 . . ?
C31 C36 H36 118.7 . . ?
C35 C36 C31 122.6(8) . . ?
C35 C36 H36 118.7 . . ?
C39 C40 H40 118.8 . . ?
C41 C40 C39 122.4(8) . . ?
C41 C40 H40 118.8 . . ?
C36 C35 C38 118.6(8) . . ?
C34 C35 C36 121.1(7) . . ?
C34 C35 C38 120.3(8) . . ?
C32 C33 C34 121.1(8) . . ?
C32 C33 C37 119.8(7) . . ?
C34 C33 C37 119.0(8) . . ?
C47 C48 H48 118.3 . . ?
C47 C48 C49 123.3(8) . . ?
C49 C48 H48 118.3 . . ?
C48 C47 C52 115.4(8) . . ?
C48 C47 B1 122.8(7) . . ?
C52 C47 B1 121.5(7) . . ?
P1 C13 H13A 109.6 . . ?
P1 C13 H13B 109.6 . . ?
H13A C13 H13B 108.2 . . ?
C14 C13 P1 110.1(5) . . ?
C14 C13 H13A 109.6 . . ?
C14 C13 H13B 109.6 . . ?
P2 C15 H15 107.1 . . ?
C20 C15 P2 113.7(6) . . ?
C20 C15 H15 107.1 . . ?
C16 C15 P2 110.7(6) . . ?
C16 C15 H15 107.1 . . ?
C16 C15 C20 110.8(8) . . ?
P2 C14 H14A 110.2 . . ?
P2 C14 H14B 110.2 . . ?
C13 C14 P2 107.5(6) . . ?
C13 C14 H14A 110.2 . . ?
C13 C14 H14B 110.2 . . ?
H14A C14 H14B 108.5 . . ?
C56 C55 C60 116.8(7) . . ?
C56 C55 B1 120.3(7) . . ?
C60 C55 B1 122.6(7) . . ?
C47 C52 H52 119.3 . . ?
C51 C52 C47 121.4(9) . . ?
C51 C52 H52 119.3 . . ?
C40 C41 C42 120.6(8) . . ?
C40 C41 C45 120.1(9) . . ?
C42 C41 C45 119.3(8) . . ?
C1 C6 H6A 109.5 . . ?
C1 C6 H6B 109.5 . . ?
C1 C6 C5 110.9(8) . . ?
H6A C6 H6B 108.1 . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
C55 C56 H56 118.9 . . ?
C55 C56 C57 122.3(8) . . ?
C57 C56 H56 118.9 . . ?
C48 C49 C50 120.8(9) . . ?
C48 C49 C53 122.4(9) . . ?
C50 C49 C53 116.9(9) . . ?
O1 C28 H28A 110.7 . . ?
O1 C28 H28B 110.7 . . ?
O1 C28 C27 105.2(7) . . ?
H28A C28 H28B 108.8 . . ?
C27 C28 H28A 110.7 . . ?
C27 C28 H28B 110.7 . . ?
C35 C34 C33 117.4(8) . . ?
C35 C34 H34 121.3 . . ?
C33 C34 H34 121.3 . . ?
C60 C59 C62 120.4(10) . . ?
C58 C59 C60 119.4(9) . . ?
C58 C59 C62 120.2(9) . . ?
C44 C43 C46 119.7(9) . . ?
C42 C43 C44 120.6(9) . . ?
C42 C43 C46 119.6(8) . . ?
P1 C7 H7 107.4 . . ?
C12 C7 P1 112.7(6) . . ?
C12 C7 H7 107.4 . . ?
C8 C7 P1 111.8(6) . . ?
C8 C7 H7 107.4 . . ?
C8 C7 C12 109.9(8) . . ?
C52 C51 C54 117.9(9) . . ?
C50 C51 C52 122.8(9) . . ?
C50 C51 C54 119.3(8) . . ?
F6 C37 F5 103.2(14) . . ?
F6 C37 C33 115(2) . . ?
F5 C37 C33 109.2(13) . . ?
F4 C37 F6 107.5(16) . . ?
F4 C37 F5 104.3(16) . . ?
F4 C37 C33 116.7(14) . . ?
F6A C37 C33 111.1(14) . . ?
F6A C37 F5A 104.2(14) . . ?
F4A C37 C33 114.8(17) . . ?
F4A C37 F6A 108.3(16) . . ?
F4A C37 F5A 108.7(18) . . ?
F5A C37 C33 109(2) . . ?
C39 C44 C43 123.4(9) . . ?
C39 C44 H44 118.3 . . ?
C43 C44 H44 118.3 . . ?
H19A C19 H19B 108.1 . . ?
C20 C19 H19A 109.5 . . ?
C20 C19 H19B 109.5 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
C18 C19 C20 110.7(8) . . ?
C55 C60 C59 122.5(9) . . ?
C55 C60 H60 118.8 . . ?
C59 C60 H60 118.8 . . ?
F1 C38 F3 106.1(7) . . ?
F1 C38 F2 107.2(8) . . ?
F1 C38 C35 112.8(7) . . ?
F3 C38 C35 111.8(8) . . ?
F2 C38 F3 106.9(8) . . ?
F2 C38 C35 111.7(7) . . ?
C7 C12 H12A 109.5 . . ?
C7 C12 H12B 109.5 . . ?
C7 C12 C11 110.9(8) . . ?
H12A C12 H12B 108.0 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H10A C10 H10B 107.7 . . ?
C9 C10 H10A 108.9 . . ?
C9 C10 H10B 108.9 . . ?
C11 C10 H10A 108.9 . . ?
C11 C10 H10B 108.9 . . ?
C11 C10 C9 113.3(9) . . ?
C49 C50 H50 121.9 . . ?
C51 C50 C49 116.3(8) . . ?
C51 C50 H50 121.9 . . ?
C59 C58 H58 120.1 . . ?
C57 C58 C59 119.8(8) . . ?
C57 C58 H58 120.1 . . ?
C56 C57 C61 118.7(9) . . ?
C58 C57 C56 119.2(9) . . ?
C58 C57 C61 122.1(9) . . ?
C41 C42 H42 121.1 . . ?
C43 C42 C41 117.8(8) . . ?
C43 C42 H42 121.1 . . ?
C31 B1 C55 110.9(7) . . ?
C39 B1 C31 103.9(6) . . ?
C39 B1 C55 110.8(6) . . ?
C47 B1 C31 113.4(6) . . ?
C47 B1 C39 114.4(7) . . ?
C47 B1 C55 103.7(6) . . ?
C6 C5 H5A 109.3 . . ?
C6 C5 H5B 109.3 . . ?
H5A C5 H5B 107.9 . . ?
C4 C5 C6 111.8(8) . . ?
C4 C5 H5A 109.3 . . ?
C4 C5 H5B 109.3 . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 108.0 . . ?
C3 C2 C1 110.9(8) . . ?
C3 C2 H2A 109.5 . . ?
C3 C2 H2B 109.5 . . ?
C15 C20 C19 111.1(8) . . ?
C15 C20 H20A 109.4 . . ?
C15 C20 H20B 109.4 . . ?
C19 C20 H20A 109.4 . . ?
C19 C20 H20B 109.4 . . ?
H20A C20 H20B 108.0 . . ?
C10 C9 H9A 109.3 . . ?
C10 C9 H9B 109.3 . . ?
C10 C9 C8 111.4(9) . . ?
H9A C9 H9B 108.0 . . ?
C8 C9 H9A 109.3 . . ?
C8 C9 H9B 109.3 . . ?
O1 C29 H29A 109.4 . . ?
O1 C29 H29B 109.4 . . ?
O1 C29 C30 111.0(8) . . ?
H29A C29 H29B 108.0 . . ?
C30 C29 H29A 109.4 . . ?
C30 C29 H29B 109.4 . . ?
F20 C61 C57 113.8(8) . . ?
F21 C61 F20 104.0(10) . . ?
F21 C61 F19 107.4(9) . . ?
F21 C61 C57 113.6(8) . . ?
F19 C61 F20 103.6(9) . . ?
F19 C61 C57 113.5(10) . . ?
C15 C16 H16A 109.2 . . ?
C15 C16 H16B 109.2 . . ?
C15 C16 C17 112.0(9) . . ?
H16A C16 H16B 107.9 . . ?
C17 C16 H16A 109.2 . . ?
C17 C16 H16B 109.2 . . ?
C19 C18 H18A 109.6 . . ?
C19 C18 H18B 109.6 . . ?
C19 C18 C17 110.1(10) . . ?
H18A C18 H18B 108.2 . . ?
C17 C18 H18A 109.6 . . ?
C17 C18 H18B 109.6 . . ?
F11 C46 F10 105.9(16) . . ?
F11 C46 C43 120.0(17) . . ?
F11 C46 F12 110.7(16) . . ?
F10 C46 C43 105.3(16) . . ?
F12 C46 F10 101.8(15) . . ?
F12 C46 C43 111.2(16) . . ?
F11A C46 C43 118.2(19) . . ?
F11A C46 F10A 108.5(14) . . ?
F11A C46 F12A 106.7(16) . . ?
F10A C46 C43 114.5(13) . . ?
F10A C46 F12A 101.3(14) . . ?
F12A C46 C43 105.9(13) . . ?
C7 C8 C9 111.7(9) . . ?
C7 C8 H8A 109.3 . . ?
C7 C8 H8B 109.3 . . ?
C9 C8 H8A 109.3 . . ?
C9 C8 H8B 109.3 . . ?
H8A C8 H8B 107.9 . . ?
C5 C4 H4A 109.7 . . ?
C5 C4 H4B 109.7 . . ?
C5 C4 C3 110.0(9) . . ?
H4A C4 H4B 108.2 . . ?
C3 C4 H4A 109.7 . . ?
C3 C4 H4B 109.7 . . ?
F22 C62 F23 106.0(11) . . ?
F22 C62 F24 107.3(10) . . ?
F22 C62 C59 111.5(10) . . ?
F23 C62 C59 112.2(9) . . ?
F24 C62 F23 105.6(11) . . ?
F24 C62 C59 113.7(11) . . ?
Rh1 C27 H27A 58.7 . . ?
Rh1 C27 H27B 160.6 . . ?
Rh1 C27 H27C 65.4 . . ?
C28 C27 Rh1 89.6(5) . . ?
C28 C27 H27A 109.5 . . ?
C28 C27 H27B 109.5 . . ?
C28 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
F16 C54 F18 101.4(11) . . ?
F16 C54 C51 122.7(12) . . ?
F16 C54 F17 110.2(12) . . ?
F18 C54 C51 109.0(9) . . ?
F17 C54 F18 94.1(10) . . ?
F17 C54 C51 114.5(8) . . ?
F17A C54 C51 120.8(14) . . ?
F17A C54 F18A 111.1(16) . . ?
F17A C54 F16A 113.8(16) . . ?
F18A C54 C51 105.6(10) . . ?
F18A C54 F16A 95.4(11) . . ?
F16A C54 C51 106.8(10) . . ?
F9 C45 C41 111.7(9) . . ?
F8 C45 F9 104.8(12) . . ?
F8 C45 C41 114.4(10) . . ?
F8 C45 F7 107.6(12) . . ?
F7 C45 F9 102.5(10) . . ?
F7 C45 C41 114.7(11) . . ?
F14 C53 C49 114.2(12) . . ?
F13 C53 C49 117.1(13) . . ?
F13 C53 F14 101.7(14) . . ?
F15 C53 C49 116.0(13) . . ?
F15 C53 F14 102.3(15) . . ?
F15 C53 F13 103.5(14) . . ?
F13A C53 C49 112.0(15) . . ?
F13A C53 F14A 107.5(17) . . ?
F13A C53 F15A 108.0(16) . . ?
F14A C53 C49 111.6(13) . . ?
F14A C53 F15A 105.7(16) . . ?
F15A C53 C49 111.7(14) . . ?
C16 C17 H17A 109.8 . . ?
C16 C17 H17B 109.8 . . ?
C18 C17 C16 109.6(10) . . ?
C18 C17 H17A 109.8 . . ?
C18 C17 H17B 109.8 . . ?
H17A C17 H17B 108.2 . . ?
H22A C22 H22B 108.1 . . ?
C21 C22 H22A 109.6 . . ?
C21 C22 H22B 109.6 . . ?
C21 C22 C23 110.2(10) . . ?
C23 C22 H22A 109.6 . . ?
C23 C22 H22B 109.6 . . ?
C2 C3 H3A 109.3 . . ?
C2 C3 H3B 109.3 . . ?
C4 C3 C2 111.5(9) . . ?
C4 C3 H3A 109.3 . . ?
C4 C3 H3B 109.3 . . ?
H3A C3 H3B 108.0 . . ?
C12 C11 H11A 109.3 . . ?
C12 C11 H11B 109.3 . . ?
C10 C11 C12 111.6(9) . . ?
C10 C11 H11A 109.3 . . ?
C10 C11 H11B 109.3 . . ?
H11A C11 H11B 108.0 . . ?
P2 C21 H21 107.5 . . ?
C22 C21 P2 110.5(8) . . ?
C22 C21 H21 107.5 . . ?
C22 C21 C26 110.7(11) . . ?
C26 C21 P2 112.8(8) . . ?
C26 C21 H21 107.5 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 108.1 . . ?
C24 C23 C22 110.5(12) . . ?
C24 C23 H23A 109.5 . . ?
C24 C23 H23B 109.5 . . ?
C23 C24 H24A 109.3 . . ?
C23 C24 H24B 109.3 . . ?
H24A C24 H24B 108.0 . . ?
C25 C24 C23 111.5(13) . . ?
C25 C24 H24A 109.3 . . ?
C25 C24 H24B 109.3 . . ?
C21 C26 H26A 109.8 . . ?
C21 C26 H26B 109.8 . . ?
C21 C26 C25 109.2(10) . . ?
H26A C26 H26B 108.3 . . ?
C25 C26 H26A 109.8 . . ?
C25 C26 H26B 109.8 . . ?
C24 C25 C26 110.0(11) . . ?
C24 C25 H25A 109.7 . . ?
C24 C25 H25B 109.7 . . ?
C26 C25 H25A 109.7 . . ?
C26 C25 H25B 109.7 . . ?
H25A C25 H25B 108.2 . . ?
P2 C21A H21A 107.2 . . ?
C26A C21A P2 109.5(14) . . ?
C26A C21A H21A 107.2 . . ?
C22A C21A P2 114.5(16) . . ?
C22A C21A H21A 107.2 . . ?
C22A C21A C26A 111.0(16) . . ?
C21A C26A H26C 109.9 . . ?
C21A C26A H26D 109.9 . . ?
C21A C26A C25A 109.1(14) . . ?
H26C C26A H26D 108.3 . . ?
C25A C26A H26C 109.9 . . ?
C25A C26A H26D 109.9 . . ?
C26A C25A H25C 109.5 . . ?
C26A C25A H25D 109.5 . . ?
H25C C25A H25D 108.0 . . ?
C24A C25A C26A 110.9(16) . . ?
C24A C25A H25C 109.5 . . ?
C24A C25A H25D 109.5 . . ?
C25A C24A H24C 109.0 . . ?
C25A C24A H24D 109.0 . . ?
C25A C24A C23A 113(2) . . ?
H24C C24A H24D 107.8 . . ?
C23A C24A H24C 109.0 . . ?
C23A C24A H24D 109.0 . . ?
C24A C23A H23C 109.6 . . ?
C24A C23A H23D 109.6 . . ?
C24A C23A C22A 110.3(17) . . ?
H23C C23A H23D 108.1 . . ?
C22A C23A H23C 109.6 . . ?
C22A C23A H23D 109.6 . . ?
C21A C22A C23A 109.6(15) . . ?
C21A C22A H22C 109.7 . . ?
C21A C22A H22D 109.7 . . ?
C23A C22A H22C 109.7 . . ?
C23A C22A H22D 109.7 . . ?
H22C C22A H22D 108.2 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh1 P1 2.1793(19) . ?
Rh1 P2 2.192(2) . ?
Rh1 O1 2.204(6) . ?
Rh1 C27 2.521(9) . ?
P1 C1 1.840(8) . ?
P1 C13 1.841(8) . ?
P1 C7 1.853(8) . ?
P2 C15 1.840(9) . ?
P2 C14 1.877(9) . ?
P2 C21 1.874(10) . ?
P2 C21A 1.871(15) . ?
F1 C38 1.310(11) . ?
F3 C38 1.354(11) . ?
O1 C28 1.437(11) . ?
O1 C29 1.435(11) . ?
F20 C61 1.345(13) . ?
F2 C38 1.330(11) . ?
F6 C37 1.325(13) . ?
F21 C61 1.315(13) . ?
F11 C46 1.323(14) . ?
C31 C32 1.402(11) . ?
C31 C36 1.399(10) . ?
C31 B1 1.640(12) . ?
F5 C37 1.348(12) . ?
F9 C45 1.339(13) . ?
F22 C62 1.316(14) . ?
F23 C62 1.337(15) . ?
C32 H32 0.9500 . ?
C32 C33 1.379(12) . ?
C39 C40 1.399(12) . ?
C39 C44 1.391(11) . ?
C39 B1 1.633(11) . ?
C1 H1 1.0000 . ?
C1 C6 1.522(11) . ?
C1 C2 1.546(12) . ?
F19 C61 1.330(12) . ?
C36 H36 0.9500 . ?
C36 C35 1.391(12) . ?
C40 H40 0.9500 . ?
C40 C41 1.398(11) . ?
F24 C62 1.318(13) . ?
F10 C46 1.371(14) . ?
F16 C54 1.295(12) . ?
C35 C34 1.378(12) . ?
C35 C38 1.520(11) . ?
C33 C34 1.398(11) . ?
C33 C37 1.503(12) . ?
C48 H48 0.9500 . ?
C48 C47 1.385(12) . ?
C48 C49 1.388(12) . ?
C47 C52 1.403(11) . ?
C47 B1 1.624(11) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 C14 1.526(12) . ?
C15 H15 1.0000 . ?
C15 C20 1.535(10) . ?
C15 C16 1.516(13) . ?
F4 C37 1.313(13) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C55 C56 1.389(12) . ?
C55 C60 1.392(12) . ?
C55 B1 1.658(11) . ?
C52 H52 0.9500 . ?
C52 C51 1.390(12) . ?
C41 C42 1.400(13) . ?
C41 C45 1.498(14) . ?
F18 C54 1.403(12) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C6 C5 1.540(14) . ?
C56 H56 0.9500 . ?
C56 C57 1.413(11) . ?
C49 C50 1.402(14) . ?
C49 C53 1.485(15) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C28 C27 1.500(14) . ?
C34 H34 0.9500 . ?
C59 C60 1.400(12) . ?
C59 C58 1.392(15) . ?
C59 C62 1.490(14) . ?
C43 C44 1.392(12) . ?
C43 C42 1.376(14) . ?
C43 C46 1.498(14) . ?
F12 C46 1.350(14) . ?
C7 H7 1.0000 . ?
C7 C12 1.525(13) . ?
C7 C8 1.512(13) . ?
C51 C50 1.376(15) . ?
C51 C54 1.498(13) . ?
C37 F6A 1.328(13) . ?
C37 F4A 1.309(14) . ?
C37 F5A 1.328(13) . ?
C44 H44 0.9500 . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C19 C20 1.544(13) . ?
C19 C18 1.498(15) . ?
C60 H60 0.9500 . ?
F8 C45 1.264(15) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C12 C11 1.560(13) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C10 C9 1.513(16) . ?
C10 C11 1.480(16) . ?
C50 H50 0.9500 . ?
C58 H58 0.9500 . ?
C58 C57 1.392(14) . ?
C57 C61 1.463(15) . ?
C42 H42 0.9500 . ?
F7 C45 1.287(14) . ?
F17 C54 1.366(12) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C5 C4 1.505(16) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C2 C3 1.535(14) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C9 C8 1.535(13) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C29 C30 1.503(14) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C16 C17 1.559(15) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C18 C17 1.534(16) . ?
C46 F11A 1.333(13) . ?
C46 F10A 1.356(14) . ?
C46 F12A 1.369(13) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C4 C3 1.516(16) . ?
F14 C53 1.326(14) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C54 F17A 1.265(14) . ?
C54 F18A 1.372(12) . ?
C54 F16A 1.383(13) . ?
C53 F13 1.316(13) . ?
C53 F15 1.306(13) . ?
C53 F13A 1.278(13) . ?
C53 F14A 1.290(14) . ?
C53 F15A 1.301(13) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C22 C21 1.522(13) . ?
C22 C23 1.554(14) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C21 H21 1.0000 . ?
C21 C26 1.545(13) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C23 C24 1.514(15) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C24 C25 1.509(15) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C26 C25 1.556(14) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C21A H21A 1.0000 . ?
C21A C26A 1.541(16) . ?
C21A C22A 1.526(17) . ?
C26A H26C 0.9900 . ?
C26A H26D 0.9900 . ?
C26A C25A 1.560(18) . ?
C25A H25C 0.9900 . ?
C25A H25D 0.9900 . ?
C25A C24A 1.501(18) . ?
C24A H24C 0.9900 . ?
C24A H24D 0.9900 . ?
C24A C23A 1.512(18) . ?
C23A H23C 0.9900 . ?
C23A H23D 0.9900 . ?
C23A C22A 1.560(19) . ?
C22A H22C 0.9900 . ?
C22A H22D 0.9900 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Rh1 P1 C1 C6 -171.7(5) . . . . ?
Rh1 P1 C1 C2 -44.6(7) . . . . ?
Rh1 P1 C13 C14 -29.5(7) . . . . ?
Rh1 P1 C7 C12 65.2(7) . . . . ?
Rh1 P1 C7 C8 -59.1(7) . . . . ?
Rh1 P2 C15 C20 73.8(7) . . . . ?
Rh1 P2 C15 C16 -51.5(8) . . . . ?
Rh1 P2 C14 C13 -33.7(7) . . . . ?
Rh1 P2 C21 C22 -31.0(11) . . . . ?
Rh1 P2 C21 C26 93.5(10) . . . . ?
Rh1 P2 C21A C26A -169.1(16) . . . . ?
Rh1 P2 C21A C22A -44(2) . . . . ?
Rh1 O1 C28 C27 12.5(9) . . . . ?
Rh1 O1 C29 C30 -149.6(8) . . . . ?
P1 C1 C6 C5 -176.5(6) . . . . ?
P1 C1 C2 C3 175.3(7) . . . . ?
P1 C13 C14 P2 37.8(8) . . . . ?
P1 C7 C12 C11 177.9(7) . . . . ?
P1 C7 C8 C9 -176.9(7) . . . . ?
P2 C15 C20 C19 -179.5(7) . . . . ?
P2 C15 C16 C17 -179.0(9) . . . . ?
P2 C21 C26 C25 177.2(10) . . . . ?
P2 C21A C26A C25A -174(2) . . . . ?
P2 C21A C22A C23A 176(2) . . . . ?
O1 C28 C27 Rh1 -10.5(8) . . . . ?
C31 C32 C33 C34 2.9(12) . . . . ?
C31 C32 C33 C37 -179.0(7) . . . . ?
C31 C36 C35 C34 3.5(11) . . . . ?
C31 C36 C35 C38 -174.2(7) . . . . ?
C32 C31 C36 C35 -3.1(10) . . . . ?
C32 C31 B1 C39 -80.6(8) . . . . ?
C32 C31 B1 C47 154.6(6) . . . . ?
C32 C31 B1 C55 38.5(9) . . . . ?
C32 C33 C34 C35 -2.6(11) . . . . ?
C32 C33 C37 F6 -68.6(18) . . . . ?
C32 C33 C37 F5 46.6(15) . . . . ?
C32 C33 C37 F4 165(3) . . . . ?
C32 C33 C37 F6A -163.6(16) . . . . ?
C32 C33 C37 F4A 73(3) . . . . ?
C32 C33 C37 F5A -49.2(19) . . . . ?
C39 C40 C41 C42 -2.1(14) . . . . ?
C39 C40 C41 C45 175.5(9) . . . . ?
C1 P1 C13 C14 -155.0(7) . . . . ?
C1 P1 C7 C12 -167.6(6) . . . . ?
C1 P1 C7 C8 68.1(7) . . . . ?
C1 C6 C5 C4 -57.3(11) . . . . ?
C1 C2 C3 C4 56.3(12) . . . . ?
C36 C31 C32 C33 0.0(10) . . . . ?
C36 C31 B1 C39 95.4(8) . . . . ?
C36 C31 B1 C47 -29.4(10) . . . . ?
C36 C31 B1 C55 -145.5(7) . . . . ?
C36 C35 C34 C33 -0.5(11) . . . . ?
C36 C35 C38 F1 -63.2(10) . . . . ?
C36 C35 C38 F3 177.3(7) . . . . ?
C36 C35 C38 F2 57.6(11) . . . . ?
C40 C39 C44 C43 -1.5(13) . . . . ?
C40 C39 B1 C31 -93.5(9) . . . . ?
C40 C39 B1 C47 30.7(11) . . . . ?
C40 C39 B1 C55 147.4(8) . . . . ?
C40 C41 C42 C43 0.4(15) . . . . ?
C40 C41 C45 F9 38.7(15) . . . . ?
C40 C41 C45 F8 -80.1(14) . . . . ?
C40 C41 C45 F7 154.7(11) . . . . ?
C48 C47 C52 C51 -2.5(11) . . . . ?
C48 C47 B1 C31 153.5(7) . . . . ?
C48 C47 B1 C39 34.5(10) . . . . ?
C48 C47 B1 C55 -86.2(8) . . . . ?
C48 C49 C50 C51 -1.7(13) . . . . ?
C48 C49 C53 F14 6(2) . . . . ?
C48 C49 C53 F13 124.3(19) . . . . ?
C48 C49 C53 F15 -113(2) . . . . ?
C48 C49 C53 F13A 79(3) . . . . ?
C48 C49 C53 F14A -42(2) . . . . ?
C48 C49 C53 F15A -160(2) . . . . ?
C47 C48 C49 C50 -0.3(13) . . . . ?
C47 C48 C49 C53 178.6(8) . . . . ?
C47 C52 C51 C50 0.7(13) . . . . ?
C47 C52 C51 C54 -177.3(7) . . . . ?
C13 P1 C1 C6 -48.3(7) . . . . ?
C13 P1 C1 C2 78.9(7) . . . . ?
C13 P1 C7 C12 -59.6(7) . . . . ?
C13 P1 C7 C8 176.0(7) . . . . ?
C15 P2 C14 C13 -159.2(6) . . . . ?
C15 P2 C21 C22 95.1(10) . . . . ?
C15 P2 C21 C26 -140.4(10) . . . . ?
C15 P2 C21A C26A -36(2) . . . . ?
C15 P2 C21A C22A 89(2) . . . . ?
C15 C16 C17 C18 -56.1(15) . . . . ?
C14 P2 C15 C20 -163.5(6) . . . . ?
C14 P2 C15 C16 71.2(8) . . . . ?
C14 P2 C21 C22 -157.1(10) . . . . ?
C14 P2 C21 C26 -32.6(11) . . . . ?
C14 P2 C21A C26A 74.7(19) . . . . ?
C14 P2 C21A C22A -160(2) . . . . ?
C55 C56 C57 C58 0.4(13) . . . . ?
C55 C56 C57 C61 178.3(8) . . . . ?
C52 C47 B1 C31 -32.8(9) . . . . ?
C52 C47 B1 C39 -151.7(7) . . . . ?
C52 C47 B1 C55 87.6(8) . . . . ?
C52 C51 C50 C49 1.4(13) . . . . ?
C52 C51 C54 F16 -178.6(14) . . . . ?
C52 C51 C54 F18 -60.5(11) . . . . ?
C52 C51 C54 F17 43.4(13) . . . . ?
C52 C51 C54 F17A -23(2) . . . . ?
C52 C51 C54 F18A -150.1(11) . . . . ?
C52 C51 C54 F16A 109.1(13) . . . . ?
C6 C1 C2 C3 -55.1(11) . . . . ?
C6 C5 C4 C3 57.3(12) . . . . ?
C56 C55 C60 C59 -1.5(12) . . . . ?
C56 C55 B1 C31 37.9(9) . . . . ?
C56 C55 B1 C39 152.8(7) . . . . ?
C56 C55 B1 C47 -84.1(9) . . . . ?
C56 C57 C61 F20 50.2(12) . . . . ?
C56 C57 C61 F21 -68.5(13) . . . . ?
C56 C57 C61 F19 168.4(9) . . . . ?
C49 C48 C47 C52 2.3(11) . . . . ?
C49 C48 C47 B1 176.4(7) . . . . ?
C28 O1 C29 C30 68.2(11) . . . . ?
C34 C35 C38 F1 119.1(9) . . . . ?
C34 C35 C38 F3 -0.4(11) . . . . ?
C34 C35 C38 F2 -120.1(9) . . . . ?
C34 C33 C37 F6 109.5(17) . . . . ?
C34 C33 C37 F5 -135.3(13) . . . . ?
C34 C33 C37 F4 -17(3) . . . . ?
C34 C33 C37 F6A 14.5(17) . . . . ?
C34 C33 C37 F4A -109(3) . . . . ?
C34 C33 C37 F5A 128.9(18) . . . . ?
C59 C58 C57 C56 0.3(14) . . . . ?
C59 C58 C57 C61 -177.5(9) . . . . ?
C7 P1 C1 C6 61.8(7) . . . . ?
C7 P1 C1 C2 -171.0(6) . . . . ?
C7 P1 C13 C14 96.5(7) . . . . ?
C7 C12 C11 C10 54.6(12) . . . . ?
C37 C33 C34 C35 179.3(7) . . . . ?
C44 C39 C40 C41 2.5(13) . . . . ?
C44 C39 B1 C31 79.4(9) . . . . ?
C44 C39 B1 C47 -156.4(7) . . . . ?
C44 C39 B1 C55 -39.7(11) . . . . ?
C44 C43 C42 C41 0.7(15) . . . . ?
C44 C43 C46 F11 94(2) . . . . ?
C44 C43 C46 F10 -146.8(18) . . . . ?
C44 C43 C46 F12 -37(3) . . . . ?
C44 C43 C46 F11A -131(2) . . . . ?
C44 C43 C46 F10A -1(3) . . . . ?
C44 C43 C46 F12A 110.0(17) . . . . ?
C19 C18 C17 C16 58.7(15) . . . . ?
C60 C55 C56 C57 0.1(12) . . . . ?
C60 C55 B1 C31 -148.6(7) . . . . ?
C60 C55 B1 C39 -33.8(11) . . . . ?
C60 C55 B1 C47 89.3(8) . . . . ?
C60 C59 C58 C57 -1.6(14) . . . . ?
C60 C59 C62 F22 -79.0(14) . . . . ?
C60 C59 C62 F23 39.7(15) . . . . ?
C60 C59 C62 F24 159.5(11) . . . . ?
C38 C35 C34 C33 177.2(7) . . . . ?
C12 C7 C8 C9 57.2(10) . . . . ?
C10 C9 C8 C7 -54.6(11) . . . . ?
C50 C49 C53 F14 -175(2) . . . . ?
C50 C49 C53 F13 -57(2) . . . . ?
C50 C49 C53 F15 66(2) . . . . ?
C50 C49 C53 F13A -102(3) . . . . ?
C50 C49 C53 F14A 137(2) . . . . ?
C50 C49 C53 F15A 19(3) . . . . ?
C50 C51 C54 F16 3.3(17) . . . . ?
C50 C51 C54 F18 121.4(10) . . . . ?
C50 C51 C54 F17 -134.7(11) . . . . ?
C50 C51 C54 F17A 159(2) . . . . ?
C50 C51 C54 F18A 31.8(13) . . . . ?
C50 C51 C54 F16A -69.0(14) . . . . ?
C58 C59 C60 C55 2.2(14) . . . . ?
C58 C59 C62 F22 98.9(12) . . . . ?
C58 C59 C62 F23 -142.4(10) . . . . ?
C58 C59 C62 F24 -22.6(16) . . . . ?
C58 C57 C61 F20 -132.0(10) . . . . ?
C58 C57 C61 F21 109.3(11) . . . . ?
C58 C57 C61 F19 -13.8(14) . . . . ?
C42 C41 C45 F9 -143.7(11) . . . . ?
C42 C41 C45 F8 97.4(14) . . . . ?
C42 C41 C45 F7 -27.7(16) . . . . ?
C42 C43 C44 C39 -0.1(15) . . . . ?
C42 C43 C46 F11 -84(2) . . . . ?
C42 C43 C46 F10 35(2) . . . . ?
C42 C43 C46 F12 145(3) . . . . ?
C42 C43 C46 F11A 51(2) . . . . ?
C42 C43 C46 F10A -179(3) . . . . ?
C42 C43 C46 F12A -68.1(19) . . . . ?
B1 C31 C32 C33 176.3(7) . . . . ?
B1 C31 C36 C35 -179.4(7) . . . . ?
B1 C39 C40 C41 175.9(8) . . . . ?
B1 C39 C44 C43 -174.9(8) . . . . ?
B1 C47 C52 C51 -176.7(7) . . . . ?
B1 C55 C56 C57 174.0(7) . . . . ?
B1 C55 C60 C59 -175.2(8) . . . . ?
C5 C4 C3 C2 -57.0(13) . . . . ?
C2 C1 C6 C5 55.2(10) . . . . ?
C20 C15 C16 C17 54.0(13) . . . . ?
C20 C19 C18 C17 -60.1(13) . . . . ?
C9 C10 C11 C12 -52.5(12) . . . . ?
C29 O1 C28 C27 164.4(8) . . . . ?
C16 C15 C20 C19 -54.2(10) . . . . ?
C18 C19 C20 C15 57.8(11) . . . . ?
C46 C43 C44 C39 -178.1(9) . . . . ?
C46 C43 C42 C41 178.7(9) . . . . ?
C8 C7 C12 C11 -56.6(10) . . . . ?
C62 C59 C60 C55 -179.8(9) . . . . ?
C62 C59 C58 C57 -179.5(9) . . . . ?
C54 C51 C50 C49 179.4(8) . . . . ?
C45 C41 C42 C43 -177.2(10) . . . . ?
C53 C49 C50 C51 179.4(8) . . . . ?
C22 C21 C26 C25 -58.4(15) . . . . ?
C22 C23 C24 C25 57.4(19) . . . . ?
C11 C10 C9 C8 52.6(12) . . . . ?
C21 P2 C15 C20 -52.8(8) . . . . ?
C21 P2 C15 C16 -178.1(8) . . . . ?
C21 P2 C14 C13 95.3(7) . . . . ?
C21 C22 C23 C24 -56.3(18) . . . . ?
C21 C26 C25 C24 58.3(17) . . . . ?
C23 C22 C21 P2 -177.0(10) . . . . ?
C23 C22 C21 C26 57.4(16) . . . . ?
C23 C24 C25 C26 -58.7(19) . . . . ?
C21A P2 C15 C20 -55.2(12) . . . . ?
C21A P2 C15 C16 179.4(11) . . . . ?
C21A P2 C14 C13 78.9(10) . . . . ?
C21A C26A C25A C24A -56(3) . . . . ?
C26A C21A C22A C23A -59(3) . . . . ?
C26A C25A C24A C23A 56(4) . . . . ?
C25A C24A C23A C22A -56(4) . . . . ?
C24A C23A C22A C21A 56(3) . . . . ?
C22A C21A C26A C25A 58(3) . . . . ?
