#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/32/4123246.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_4123246
loop_
_publ_author_name
'Pike, Sebastian D.'
'Chadwick, F. Mark'
'Rees, Nicholas H.'
'Scott, Mark P.'
'Weller, Andrew S.'
'Krämer, Tobias'
'Macgregor, Stuart A.'
_publ_section_title
;
 Solid-State Synthesis and Characterization of σ-Alkane Complexes,
 [Rh(L2)(η(2),η(2)-C7H12)][BAr(F)4] (L2 = Bidentate Chelating
 Phosphine).
;
_journal_issue                   2
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              820
_journal_page_last               833
_journal_paper_doi               10.1021/ja510437p
_journal_volume                  137
_journal_year                    2015
_chemical_compound_source        'S10, CRL, Uni Oxford'
_chemical_formula_moiety         'C48.50 H50 B1 F24 O4 P2 Rh1'
_chemical_formula_sum            'C48.5 H50 B F24 O4 P2 Rh'
_chemical_formula_weight         1328.55
_chemical_melting_point          ?
_chemical_name_systematic        Rh(dipope)(h6-BArF4)
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     other
_audit_creation_date             2014-06-19
_audit_creation_method           CRYSTALS_ver_14.43
_cell_angle_alpha                88.0127(10)
_cell_angle_beta                 86.0539(10)
_cell_angle_gamma                73.0587(10)
_cell_formula_units_Z            4
_cell_length_a                   12.9279(3)
_cell_length_b                   20.8343(4)
_cell_length_c                   21.8302(5)
_cell_measurement_reflns_used    15912
_cell_measurement_temperature    150
_cell_measurement_theta_max      25
_cell_measurement_theta_min      5
_cell_volume                     5610.7(2)
_computing_cell_refinement       'DENZO/SCALEPACK (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 2001).'
_computing_data_reduction        'DENZO/SCALEPACK (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'CAMERON (Watkin et al., 1996)'
_computing_publication_material  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_refinement  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_solution    'Superflip (Palatinus & Chapuis, 2007)'
_diffrn_ambient_temperature      150
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device       Area
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.061
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            41622
_diffrn_reflns_theta_full        25.012
_diffrn_reflns_theta_max         25.012
_diffrn_reflns_theta_min         5.099
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.483
_exptl_absorpt_correction_T_max  0.96
_exptl_absorpt_correction_T_min  0.92
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'DENZO/SCALEPACK (Otwinowski & Minor, 1997)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.573
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2676
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.080
_refine_diff_density_max         1.36
_refine_diff_density_min         -1.19
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_ref   0.9544
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1624
_refine_ls_number_reflns         19471
_refine_ls_number_restraints     1508
_refine_ls_R_factor_all          0.1026
_refine_ls_R_factor_gt           0.0618
_refine_ls_shift/su_max          0.0298765
_refine_ls_shift/su_mean         0.0003519
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 Method= Modified Sheldrick 
 w=1/[σ²(F²) + ( 0.03P)² +17.51P] 
 ,where P=(max(Fo²,0) + 2Fc²)/3 
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1432
_refine_ls_wR_factor_gt          0.1255
_refine_ls_wR_factor_ref         0.1432
_reflns_limit_h_max              15
_reflns_limit_h_min              -15
_reflns_limit_k_max              24
_reflns_limit_k_min              -24
_reflns_limit_l_max              25
_reflns_limit_l_min              0
_reflns_number_gt                12879
_reflns_number_total             19475
_reflns_threshold_expression     I>2.0σ(I)
_oxford_diffrn_Wilson_B_factor   2.03
_oxford_diffrn_Wilson_scale      101.45
_oxford_refine_ls_r_factor_ref   0.1026
_oxford_refine_ls_scale          0.11100(3)
_oxford_reflns_number_all        19472
_oxford_reflns_threshold_expression_ref I>-3.0\s(I)
_oxford_structure_analysis_title 035SDP12
_cod_data_source_file            ja510437p_si_001.cif
_cod_data_source_block           '[5-BArF4]'
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

'_atom_sites_solution_primary'
value 'Other' changed to 'other' according to
/home/saulius/struct/COD-crude-data--automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2935 2014-11-11 08:27:57Z andrius 

 Adding full bibliography for 4123238--4123246.cif.
;
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C48.50 H50 B1 F24 O4 P2 Rh1'
_cod_database_code               4123246
#BEGIN Tags that were not found in dictionaries:
_iucr_refine_instructions_details_constraints
;
BLOCK SCALE X'S, U'S 
END                                                                             
;
_iucr_refine_instructions_details_restraints
;
NO 
REM   HREST   START (DO NOT REMOVE THIS LINE) 
SAME C(125) C(129) F(340) F(350) F(360) AND 
CONT C(125) C(129) F(350) F(360) F(340) AND 
CONT C(125) C(129) F(360) F(340) F(350) AND 
CONT C(125) C(129) F(341) F(351) F(361) AND 
CONT C(125) C(129) F(351) F(361) F(341) AND 
CONT C(125) C(129) F(361) F(341) F(351) 
DELU 0.015 C(125) C(129) F(340) F(350) F(360) AND 
CONT C(125) C(129) F(350) F(360) F(340) AND 
CONT C(125) C(129) F(360) F(340) F(350) AND 
CONT C(125) C(129) F(341) F(351) F(361) AND 
CONT C(125) C(129) F(351) F(361) F(341) AND 
CONT C(125) C(129) F(361) F(341) F(351) 
SIMU 0.015 C(125) C(129) F(340) F(350) F(360) AND 
CONT C(125) C(129) F(350) F(360) F(340) AND 
CONT C(125) C(129) F(360) F(340) F(350) AND 
CONT C(125) C(129) F(341) F(351) F(361) AND 
CONT C(125) C(129) F(351) F(361) F(341) AND 
CONT C(125) C(129) F(361) F(341) F(351) 
SAME C(133) C(137) F(370) F(380) F(391) AND 
CONT C(133) C(137) F(380) F(391) F(370) AND 
CONT C(133) C(137) F(391) F(370) F(380) AND 
CONT C(133) C(137) F(371) F(381) F(390) AND 
CONT C(133) C(137) F(381) F(390) F(371) AND 
CONT C(133) C(137) F(390) F(371) F(381) 
DELU 0.015 C(133) C(137) F(370) F(380) F(391) AND 
CONT C(133) C(137) F(380) F(391) F(370) AND 
CONT C(133) C(137) F(391) F(370) F(380) AND 
CONT C(133) C(137) F(371) F(381) F(390) AND 
CONT C(133) C(137) F(381) F(390) F(371) AND 
CONT C(133) C(137) F(390) F(371) F(381) 
SIMU 0.015 C(133) C(137) F(370) F(380) F(391) AND 
CONT C(133) C(137) F(380) F(391) F(370) AND 
CONT C(133) C(137) F(391) F(370) F(380) AND 
CONT C(133) C(137) F(371) F(381) F(390) AND 
CONT C(133) C(137) F(381) F(390) F(371) AND 
CONT C(133) C(137) F(390) F(371) F(381) 
SAME C(135) C(138) F(401) F(410) F(421) AND 
CONT C(135) C(138) F(410) F(421) F(401) AND 
CONT C(135) C(138) F(421) F(401) F(410) AND 
CONT C(135) C(138) F(400) F(411) F(420) AND 
CONT C(135) C(138) F(411) F(420) F(400) AND 
CONT C(135) C(138) F(420) F(400) F(411) 
DELU 0.015 C(135) C(138) F(401) F(410) F(421) AND 
CONT C(135) C(138) F(410) F(421) F(401) AND 
CONT C(135) C(138) F(421) F(401) F(410) AND 
CONT C(135) C(138) F(400) F(411) F(420) AND 
CONT C(135) C(138) F(411) F(420) F(400) AND 
CONT C(135) C(138) F(420) F(400) F(411) 
SIMU 0.015 C(135) C(138) F(401) F(410) F(421) AND 
CONT C(135) C(138) F(410) F(421) F(401) AND 
CONT C(135) C(138) F(421) F(401) F(410) AND 
CONT C(135) C(138) F(400) F(411) F(420) AND 
CONT C(135) C(138) F(411) F(420) F(400) AND 
CONT C(135) C(138) F(420) F(400) F(411) 
SAME C(141) C(145) F(431) F(440) F(451) AND 
CONT C(141) C(145) F(440) F(451) F(431) AND 
CONT C(141) C(145) F(451) F(431) F(440) AND 
CONT C(141) C(145) F(430) F(441) F(450) AND 
CONT C(141) C(145) F(441) F(450) F(430) AND 
CONT C(141) C(145) F(450) F(430) F(441) 
DELU 0.015 C(141) C(145) F(431) F(440) F(451) AND 
CONT C(141) C(145) F(440) F(451) F(431) AND 
CONT C(141) C(145) F(451) F(431) F(440) AND 
CONT C(141) C(145) F(430) F(441) F(450) AND 
CONT C(141) C(145) F(441) F(450) F(430) AND 
CONT C(141) C(145) F(450) F(430) F(441) 
SIMU 0.015 C(141) C(145) F(431) F(440) F(451) AND 
CONT C(141) C(145) F(440) F(451) F(431) AND 
CONT C(141) C(145) F(451) F(431) F(440) AND 
CONT C(141) C(145) F(430) F(441) F(450) AND 
CONT C(141) C(145) F(441) F(450) F(430) AND 
CONT C(141) C(145) F(450) F(430) F(441) 
SAME C(603) C(602) C(600) C(601) C(604) AND 
CONT C(604) C(601) C(600) C(602) C(603) 
SIMU 0.015 C(603) C(602) C(600) C(601) C(604) AND 
CONT C(604) C(601) C(600) C(602) C(603) 
DELU 0.015 C(603) C(602) C(600) C(601) C(604) AND 
CONT C(604) C(601) C(600) C(602) C(603) 
SAME C(503) C(502) C(500) C(501) C(504) AND 
CONT C(504) C(501) C(500) C(502) C(503) 
SIMU 0.015 C(503) C(502) C(500) C(501) C(504) AND 
CONT C(504) C(501) C(500) C(502) C(503) 
DELU 0.015 C(503) C(502) C(500) C(501) C(504) AND 
CONT C(504) C(501) C(500) C(502) C(503) 
SAME C(33) C(38) F(100) F(111) F(120) AND 
CONT C(33) C(38) F(111) F(120) F(100) AND 
CONT C(33) C(38) F(120) F(100) F(111) AND 
CONT C(33) C(38) F(101) F(110) F(121) AND 
CONT C(33) C(38) F(110) F(121) F(101) AND 
CONT C(33) C(38) F(121) F(101) F(110) 
DELU 0.015 C(33) C(38) F(100) F(111) F(120) AND 
CONT C(33) C(38) F(111) F(120) F(100) AND 
CONT C(33) C(38) F(120) F(100) F(111) AND 
CONT C(33) C(38) F(101) F(110) F(121) AND 
CONT C(33) C(38) F(110) F(121) F(101) AND 
CONT C(33) C(38) F(121) F(101) F(110) 
SIMU 0.015 C(33) C(38) F(100) F(111) F(120) AND 
CONT C(33) C(38) F(111) F(120) F(100) AND 
CONT C(33) C(38) F(120) F(100) F(111) AND 
CONT C(33) C(38) F(101) F(110) F(121) AND 
CONT C(33) C(38) F(110) F(121) F(101) AND 
CONT C(33) C(38) F(121) F(101) F(110) 
REM   HREST   END (DO NOT REMOVE THIS LINE) 
END                                                                             
;
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_occupancy
_atom_site_adp_type
_atom_site_refinement_flags_posn
_atom_site_disorder_assembly
_atom_site_disorder_group
F1 F 0.2787(2) 0.06974(16) 0.52518(14) 0.0400 1.0000 Uani . . .
F2 F 0.4179(2) 0.07286(17) 0.46595(16) 0.0446 1.0000 Uani . . .
F3 F 0.3266(3) 0.00530(15) 0.44714(16) 0.0466 1.0000 Uani . . .
F4 F 0.2138(3) 0.17765(19) 0.22665(14) 0.0505 1.0000 Uani . . .
F5 F 0.2315(3) 0.26876(17) 0.26106(15) 0.0529 1.0000 Uani . . .
F6 F 0.3654(3) 0.17915(18) 0.25906(14) 0.0456 1.0000 Uani . . .
F7 F 0.0853(4) 0.0593(3) 0.2125(2) 0.1020 1.0000 Uani . . .
F8 F 0.0307(5) -0.0264(2) 0.2312(2) 0.1032 1.0000 Uani . . .
F9 F -0.0518(4) 0.0493(3) 0.17168(18) 0.0820 1.0000 Uani . . .
F13 F 0.0145(3) 0.02944(18) 0.5938(2) 0.0657 1.0000 Uani . . .
F14 F -0.1062(3) -0.00169(18) 0.5562(2) 0.0687 1.0000 Uani . . .
F15 F -0.1357(4) 0.0384(2) 0.64537(19) 0.0893 1.0000 Uani . . .
F16 F -0.3855(3) 0.25936(19) 0.64934(17) 0.0636 1.0000 Uani . . .
F17 F -0.4302(3) 0.30180(18) 0.56160(17) 0.0570 1.0000 Uani . . .
F18 F -0.3159(3) 0.33328(19) 0.6097(2) 0.0700 1.0000 Uani . . .
F22 F -0.2106(3) 0.4016(2) 0.20675(17) 0.0649 1.0000 Uani . . .
F23 F -0.2908(3) 0.32594(18) 0.22418(17) 0.0630 1.0000 Uani . . .
F24 F -0.3668(3) 0.42617(19) 0.25273(17) 0.0612 1.0000 Uani . . .
F25 F 0.1776(3) 0.7256(2) 0.24609(17) 0.0642 1.0000 Uani . . .
F26 F 0.0333(3) 0.8058(2) 0.23329(16) 0.0580 1.0000 Uani . . .
F27 F 0.1623(3) 0.8232(2) 0.27910(16) 0.0693 1.0000 Uani . . .
F28 F 0.1473(3) 0.91512(19) -0.02086(17) 0.0584 1.0000 Uani . . .
F29 F 0.1266(4) 0.98748(18) 0.0499(2) 0.0724 1.0000 Uani . . .
F30 F 0.0102(3) 0.9342(2) 0.0433(2) 0.0662 1.0000 Uani . . .
F31 F 0.3408(4) 0.9415(2) 0.3022(2) 0.0875 1.0000 Uani . . .
F32 F 0.3277(4) 1.0262(2) 0.2456(2) 0.1084 1.0000 Uani . . .
F33 F 0.4429(4) 0.9988(3) 0.3142(2) 0.0998 1.0000 Uani . . .
F46 F 0.7236(4) 0.6737(2) 0.29233(19) 0.0792 1.0000 Uani . . .
F47 F 0.7890(3) 0.5716(2) 0.26937(19) 0.0721 1.0000 Uani . . .
F48 F 0.6363(4) 0.6034(3) 0.31665(19) 0.0959 1.0000 Uani . . .
C15 C 0.0587(4) 0.1870(2) 0.4026(2) 0.0226 1.0000 Uani . . .
C16 C 0.1074(4) 0.2091(2) 0.3496(2) 0.0254 1.0000 Uani . . .
C17 C 0.2194(4) 0.1837(3) 0.3326(2) 0.0272 1.0000 Uani . . .
C18 C 0.2907(4) 0.1363(3) 0.3698(2) 0.0288 1.0000 Uani . . .
C19 C 0.2456(4) 0.1189(2) 0.4261(2) 0.0273 1.0000 Uani . . .
C20 C 0.1329(4) 0.1447(2) 0.4425(2) 0.0231 1.0000 Uani . . .
C21 C 0.2582(5) 0.2020(3) 0.2704(3) 0.0369 1.0000 Uani . . .
C22 C 0.3182(4) 0.0673(3) 0.4669(2) 0.0306 1.0000 Uani . . .
C23 C -0.1250(4) 0.1923(2) 0.4777(2) 0.0239 1.0000 Uani . . .
C24 C -0.2083(4) 0.2399(3) 0.5099(2) 0.0285 1.0000 Uani . . .
C25 C -0.2551(4) 0.2258(3) 0.5661(2) 0.0285 1.0000 Uani . . .
C26 C -0.2202(4) 0.1624(3) 0.5932(2) 0.0291 1.0000 Uani . . .
C27 C -0.1366(4) 0.1148(3) 0.5632(2) 0.0260 1.0000 Uani . . .
C28 C -0.0925(4) 0.1288(2) 0.5063(2) 0.0241 1.0000 Uani . . .
C29 C -0.3454(5) 0.2796(3) 0.5967(3) 0.0399 1.0000 Uani . . .
C30 C -0.0919(5) 0.0465(3) 0.5904(3) 0.0381 1.0000 Uani . . .
C31 C -0.1058(4) 0.1497(2) 0.3639(2) 0.0252 1.0000 Uani . . .
C32 C -0.2047(4) 0.1349(3) 0.3756(2) 0.0310 1.0000 Uani . . .
C33 C -0.2357(3) 0.0910(2) 0.3395(2) 0.0404 1.0000 Uani D . .
C34 C -0.1709(5) 0.0606(3) 0.2894(3) 0.0383 1.0000 Uani . . .
C35 C -0.0730(5) 0.0740(3) 0.2771(2) 0.0331 1.0000 Uani . . .
C36 C -0.0412(4) 0.1176(3) 0.3135(2) 0.0273 1.0000 Uani . . .
C37 C -0.0015(6) 0.0397(4) 0.2238(3) 0.0522 1.0000 Uani . . .
C38 C -0.3439(2) 0.07624(15) 0.35420(14) 0.0571 1.0000 Uani D . .
C39 C -0.1264(4) 0.2807(2) 0.3835(2) 0.0251 1.0000 Uani . . .
C40 C -0.1788(4) 0.2964(3) 0.3286(2) 0.0293 1.0000 Uani . . .
C41 C -0.2198(4) 0.3632(3) 0.3086(2) 0.0291 1.0000 Uani . . .
C42 C -0.2122(4) 0.4155(3) 0.3435(3) 0.0343 1.0000 Uani . . .
C43 C -0.1598(4) 0.4011(3) 0.3979(2) 0.0305 1.0000 Uani . . .
C44 C -0.1158(4) 0.3344(3) 0.4164(2) 0.0281 1.0000 Uani . . .
C45 C -0.2710(5) 0.3787(3) 0.2488(3) 0.0400 1.0000 Uani . . .
C46 C -0.1536(5) 0.4558(3) 0.4377(3) 0.0380 1.0000 Uani . . .
C115 C 0.3603(4) 0.8059(2) 0.1105(2) 0.0240 1.0000 Uani . . .
C116 C 0.2918(4) 0.8498(3) 0.0695(2) 0.0279 1.0000 Uani . . .
C117 C 0.1786(4) 0.8754(3) 0.0806(2) 0.0305 1.0000 Uani . . .
C118 C 0.1264(4) 0.8579(3) 0.1349(2) 0.0292 1.0000 Uani . . .
C119 C 0.1899(4) 0.8095(3) 0.1731(2) 0.0295 1.0000 Uani . . .
C120 C 0.3038(4) 0.7841(2) 0.1611(2) 0.0253 1.0000 Uani . . .
C121 C 0.1404(5) 0.7908(3) 0.2327(3) 0.0393 1.0000 Uani . . .
C122 C 0.1155(5) 0.9277(3) 0.0374(3) 0.0407 1.0000 Uani . . .
C123 C 0.5220(4) 0.8457(2) 0.1485(2) 0.0237 1.0000 Uani . . .
C124 C 0.6244(4) 0.8550(3) 0.1416(2) 0.0304 1.0000 Uani . . .
C125 C 0.6539(3) 0.9012(2) 0.1744(2) 0.0408 1.0000 Uani D . .
C126 C 0.5808(4) 0.9418(3) 0.2166(2) 0.0294 1.0000 Uani . . .
C127 C 0.4790(4) 0.9333(3) 0.2249(2) 0.0275 1.0000 Uani . . .
C128 C 0.4503(4) 0.8863(3) 0.1917(2) 0.0268 1.0000 Uani . . .
C129 C 0.7640(2) 0.91003(18) 0.16651(19) 0.0712 1.0000 Uani D . .
C130 C 0.3972(5) 0.9763(3) 0.2699(3) 0.0420 1.0000 Uani . . .
C131 C 0.5468(4) 0.7944(3) 0.0376(2) 0.0266 1.0000 Uani . . .
C132 C 0.5257(4) 0.8566(3) 0.0067(3) 0.0335 1.0000 Uani . . .
C133 C 0.5694(4) 0.8641(2) -0.0515(2) 0.0401 1.0000 Uani D . .
C134 C 0.6411(5) 0.8094(3) -0.0822(2) 0.0401 1.0000 Uani . . .
C135 C 0.6657(4) 0.7473(2) -0.0514(2) 0.0364 1.0000 Uani D . .
C136 C 0.6202(4) 0.7409(3) 0.0062(2) 0.0294 1.0000 Uani . . .
C137 C 0.5439(3) 0.93023(14) -0.08343(15) 0.0634 1.0000 Uani D . .
C138 C 0.7471(2) 0.68618(14) -0.08057(14) 0.0534 1.0000 Uani D . .
C139 C 0.5424(4) 0.7129(3) 0.1372(2) 0.0257 1.0000 Uani . . .
C140 C 0.5341(4) 0.6571(3) 0.1064(2) 0.0275 1.0000 Uani . . .
C141 C 0.5824(4) 0.59178(19) 0.1263(2) 0.0316 1.0000 Uani D . .
C142 C 0.6381(5) 0.5802(3) 0.1801(3) 0.0376 1.0000 Uani . . .
C143 C 0.6430(4) 0.6346(3) 0.2132(3) 0.0313 1.0000 Uani . . .
C144 C 0.5974(4) 0.7002(3) 0.1913(2) 0.0292 1.0000 Uani . . .
C145 C 0.5854(3) 0.53444(13) 0.08646(14) 0.0485 1.0000 Uani D . .
C146 C 0.6955(5) 0.6220(3) 0.2726(3) 0.0440 1.0000 Uani . . .
C1 C 0.0465(4) 0.2608(3) 0.5759(3) 0.0373 1.0000 Uani . . .
C2 C -0.0400(6) 0.3195(4) 0.6023(4) 0.0661 1.0000 Uani . . .
C3 C 0.0636(5) 0.1975(4) 0.6152(3) 0.0536 1.0000 Uani . . .
C4 C 0.3959(5) 0.1976(3) 0.5970(3) 0.0416 1.0000 Uani . . .
C5 C 0.3433(6) 0.1757(4) 0.6543(3) 0.0595 1.0000 Uani . . .
C6 C 0.5069(5) 0.1500(4) 0.5792(4) 0.0638 1.0000 Uani . . .
C7 C 0.4286(5) 0.2868(3) 0.3482(3) 0.0499 1.0000 Uani . . .
C8 C 0.4599(7) 0.3094(4) 0.2851(4) 0.0845 1.0000 Uani . . .
C9 C 0.5189(6) 0.2752(4) 0.3915(5) 0.0858 1.0000 Uani . . .
C10 C 0.1473(5) 0.4312(3) 0.3166(3) 0.0468 1.0000 Uani . . .
C11 C 0.1318(7) 0.4951(4) 0.3504(4) 0.0765 1.0000 Uani . . .
C12 C 0.0644(7) 0.4364(4) 0.2698(4) 0.0739 1.0000 Uani . . .
C13 C 0.2181(4) 0.3826(3) 0.4720(3) 0.0327 1.0000 Uani . . .
C14 C 0.2861(4) 0.3340(3) 0.5187(2) 0.0328 1.0000 Uani . . .
C101 C 0.2678(5) 0.5661(3) 0.1891(3) 0.0535 1.0000 Uani . . .
C102 C 0.3475(6) 0.5601(4) 0.2386(4) 0.0716 1.0000 Uani . . .
C103 C 0.2798(7) 0.5021(4) 0.1553(4) 0.0750 1.0000 Uani . . .
C104 C -0.0081(5) 0.6976(3) 0.1351(3) 0.0497 1.0000 Uani . . .
C105 C -0.0469(7) 0.6769(4) 0.1969(4) 0.0803 1.0000 Uani . . .
C106 C -0.0877(6) 0.7009(4) 0.0863(4) 0.0729 1.0000 Uani . . .
C107 C 0.0135(6) 0.8128(4) -0.0852(3) 0.0571 1.0000 Uani . . .
C108 C 0.0268(7) 0.7611(5) -0.1333(4) 0.0799 1.0000 Uani . . .
C109 C -0.1037(6) 0.8504(4) -0.0686(4) 0.0709 1.0000 Uani . . .
C110 C 0.3550(6) 0.7575(4) -0.0788(3) 0.0565 1.0000 Uani . . .
C111 C 0.3653(7) 0.8044(5) -0.1314(4) 0.0862 1.0000 Uani . . .
C112 C 0.4242(6) 0.6861(5) -0.0915(4) 0.0745 1.0000 Uani . . .
C113 C 0.1801(5) 0.6536(3) -0.0250(3) 0.0492 1.0000 Uani . . .
C114 C 0.2409(5) 0.6095(3) 0.0264(3) 0.0416 1.0000 Uani . . .
O1 O 0.3315(3) 0.19746(18) 0.54443(17) 0.0349 1.0000 Uani . . .
O2 O 0.1463(3) 0.28044(19) 0.57062(16) 0.0331 1.0000 Uani . . .
O3 O 0.3373(3) 0.34023(18) 0.37258(18) 0.0372 1.0000 Uani . . .
O4 O 0.1355(3) 0.37711(17) 0.35937(16) 0.0319 1.0000 Uani . . .
O101 O 0.2848(3) 0.61899(18) 0.14683(17) 0.0370 1.0000 Uani . . .
O102 O 0.0928(3) 0.64640(19) 0.1160(2) 0.0451 1.0000 Uani . . .
O103 O 0.0570(3) 0.7833(2) -0.02750(19) 0.0470 1.0000 Uani . . .
O104 O 0.2418(3) 0.7623(2) -0.07199(19) 0.0539 1.0000 Uani . . .
P1 P 0.24108(11) 0.25873(7) 0.51816(6) 0.0258 1.0000 Uani . . .
P2 P 0.22454(11) 0.33434(7) 0.40356(6) 0.0279 1.0000 Uani . . .
P101 P 0.20658(12) 0.65806(7) 0.09629(7) 0.0322 1.0000 Uani . . .
P102 P 0.17799(13) 0.74131(8) -0.01407(7) 0.0352 1.0000 Uani . . .
Rh1 Rh 0.20454(3) 0.234310(19) 0.425844(18) 0.0231 1.0000 Uani . . .
B1 B -0.0747(5) 0.2034(3) 0.4087(3) 0.0250 1.0000 Uani . . .
Rh2 Rh 0.21713(3) 0.76077(2) 0.078984(18) 0.0251 1.0000 Uani . . .
B101 B 0.4934(5) 0.7885(3) 0.1077(3) 0.0246 1.0000 Uani . . .
F340 F 0.8295(4) 0.8785(4) 0.2092(4) 0.1105 0.5161 Uani D 1 1
F341 F 0.8051(4) 0.9173(5) 0.2192(3) 0.0896 0.4839 Uani D 1 2
F350 F 0.7643(4) 0.9735(3) 0.1684(4) 0.0653 0.5161 Uani D 1 1
F351 F 0.7681(4) 0.9634(4) 0.1327(4) 0.1065 0.4839 Uani D 1 2
F360 F 0.8162(5) 0.8875(4) 0.1134(3) 0.0996 0.5161 Uani D 1 1
F361 F 0.8373(4) 0.8585(3) 0.1393(4) 0.0713 0.4839 Uani D 1 2
F390 F 0.5136(6) 0.9281(2) -0.1408(3) 0.0742 0.4893 Uani D 2 2
F391 F 0.5660(6) 0.9254(2) -0.1444(3) 0.0913 0.5107 Uani D 2 1
F380 F 0.5996(6) 0.9697(3) -0.0641(3) 0.0807 0.5107 Uani D 2 1
F381 F 0.6278(5) 0.9556(3) -0.0889(4) 0.0809 0.4893 Uani D 2 2
F370 F 0.4396(5) 0.9652(3) -0.0757(3) 0.0723 0.5107 Uani D 2 1
F371 F 0.4629(5) 0.9769(2) -0.0546(3) 0.0593 0.4893 Uani D 2 2
F410 F 0.7446(5) 0.6876(2) -0.1403(2) 0.1099 0.6068 Uani D 3 1
F411 F 0.7878(6) 0.7007(2) -0.1345(3) 0.0766 0.3932 Uani D 3 2
F420 F 0.7036(4) 0.6383(3) -0.0893(4) 0.0724 0.3932 Uani D 3 2
F421 F 0.7285(4) 0.6297(2) -0.0611(3) 0.0540 0.6068 Uani D 3 1
F400 F 0.8297(5) 0.6605(3) -0.0461(3) 0.0611 0.3932 Uani D 3 2
F401 F 0.8467(4) 0.6817(3) -0.0682(3) 0.0837 0.6068 Uani D 3 1
F430 F 0.6142(9) 0.5443(3) 0.0281(3) 0.0594 0.2812 Uani D 4 2
F431 F 0.6671(4) 0.5214(3) 0.0449(3) 0.0910 0.7188 Uani D 4 1
F450 F 0.4911(5) 0.5224(4) 0.0860(4) 0.0641 0.2812 Uani D 4 2
F451 F 0.4978(4) 0.5447(2) 0.0559(2) 0.0558 0.7188 Uani D 4 1
F440 F 0.5946(5) 0.4777(2) 0.1178(2) 0.0862 0.7188 Uani D 4 1
F441 F 0.6544(7) 0.4776(3) 0.1036(4) 0.0637 0.2812 Uani D 4 2
H161 H 0.0629 0.2448 0.3242 0.0311 1.0000 Uiso . . .
H181 H 0.3684 0.1211 0.3590 0.0356 1.0000 Uiso . . .
H201 H 0.1054 0.1342 0.4835 0.0281 1.0000 Uiso . . .
H241 H -0.2341 0.2823 0.4921 0.0340 1.0000 Uiso . . .
H261 H -0.2516 0.1520 0.6305 0.0349 1.0000 Uiso . . .
H281 H -0.0385 0.0948 0.4863 0.0291 1.0000 Uiso . . .
H321 H -0.2508 0.1544 0.4090 0.0376 1.0000 Uiso . . .
H341 H -0.1929 0.0315 0.2651 0.0459 1.0000 Uiso . . .
H361 H 0.0258 0.1248 0.3040 0.0327 1.0000 Uiso . . .
H401 H -0.1869 0.2624 0.3046 0.0361 1.0000 Uiso . . .
H421 H -0.2424 0.4591 0.3312 0.0419 1.0000 Uiso . . .
H441 H -0.0793 0.3259 0.4527 0.0340 1.0000 Uiso . . .
H1161 H 0.3241 0.8623 0.0306 0.0338 1.0000 Uiso . . .
H1181 H 0.0483 0.8736 0.1411 0.0364 1.0000 Uiso . . .
H1201 H 0.3437 0.7482 0.1875 0.0300 1.0000 Uiso . . .
H1241 H 0.6741 0.8289 0.1134 0.0368 1.0000 Uiso . . .
H1261 H 0.5993 0.9736 0.2385 0.0362 1.0000 Uiso . . .
H1281 H 0.3810 0.8813 0.1984 0.0332 1.0000 Uiso . . .
H1321 H 0.4808 0.8943 0.0262 0.0407 1.0000 Uiso . . .
H1341 H 0.6722 0.8137 -0.1212 0.0489 1.0000 Uiso . . .
H1361 H 0.6396 0.6990 0.0254 0.0356 1.0000 Uiso . . .
H1401 H 0.4956 0.6639 0.0711 0.0338 1.0000 Uiso . . .
H1421 H 0.6705 0.5367 0.1937 0.0450 1.0000 Uiso . . .
H1441 H 0.6028 0.7363 0.2136 0.0350 1.0000 Uiso . . .
H11 H 0.0287 0.2517 0.5345 0.0448 1.0000 Uiso . . .
H22 H -0.0494 0.3576 0.5742 0.0988 1.0000 Uiso . . .
H21 H -0.0192 0.3306 0.6410 0.0990 1.0000 Uiso . . .
H23 H -0.1062 0.3073 0.6077 0.0990 1.0000 Uiso . . .
H33 H 0.1212 0.1611 0.5970 0.0807 1.0000 Uiso . . .
H31 H 0.0811 0.2067 0.6552 0.0807 1.0000 Uiso . . .
H32 H -0.0022 0.1849 0.6188 0.0809 1.0000 Uiso . . .
H41 H 0.4023 0.2424 0.6019 0.0503 1.0000 Uiso . . .
H51 H 0.2745 0.2074 0.6646 0.0899 1.0000 Uiso . . .
H52 H 0.3897 0.1717 0.6876 0.0898 1.0000 Uiso . . .
H53 H 0.3323 0.1329 0.6476 0.0899 1.0000 Uiso . . .
H62 H 0.5382 0.1658 0.5427 0.0959 1.0000 Uiso . . .
H63 H 0.5533 0.1481 0.6121 0.0959 1.0000 Uiso . . .
H61 H 0.5013 0.1057 0.5727 0.0958 1.0000 Uiso . . .
H71 H 0.4060 0.2463 0.3457 0.0597 1.0000 Uiso . . .
H83 H 0.3999 0.3169 0.2593 0.1270 1.0000 Uiso . . .
H81 H 0.4793 0.3504 0.2878 0.1267 1.0000 Uiso . . .
H82 H 0.5200 0.2754 0.2679 0.1272 1.0000 Uiso . . .
H91 H 0.4962 0.2589 0.4303 0.1279 1.0000 Uiso . . .
H92 H 0.5356 0.3164 0.3967 0.1278 1.0000 Uiso . . .
H93 H 0.5814 0.2426 0.3741 0.1279 1.0000 Uiso . . .
H101 H 0.2197 0.4184 0.2959 0.0558 1.0000 Uiso . . .
H112 H 0.1870 0.4889 0.3797 0.1161 1.0000 Uiso . . .
H113 H 0.1366 0.5305 0.3215 0.1159 1.0000 Uiso . . .
H111 H 0.0617 0.5076 0.3719 0.1159 1.0000 Uiso . . .
H121 H 0.0778 0.3949 0.2492 0.1129 1.0000 Uiso . . .
H123 H 0.0696 0.4708 0.2401 0.1130 1.0000 Uiso . . .
H122 H -0.0065 0.4480 0.2898 0.1130 1.0000 Uiso . . .
H132 H 0.2481 0.4198 0.4623 0.0401 1.0000 Uiso . . .
H131 H 0.1436 0.3995 0.4880 0.0401 1.0000 Uiso . . .
H141 H 0.2745 0.3531 0.5598 0.0397 1.0000 Uiso . . .
H142 H 0.3632 0.3232 0.5062 0.0398 1.0000 Uiso . . .
H1011 H 0.1933 0.5821 0.2076 0.0648 1.0000 Uiso . . .
H1022 H 0.3391 0.6032 0.2565 0.1061 1.0000 Uiso . . .
H1023 H 0.4200 0.5424 0.2210 0.1059 1.0000 Uiso . . .
H1021 H 0.3336 0.5297 0.2699 0.1057 1.0000 Uiso . . .
H1031 H 0.2201 0.5077 0.1297 0.1117 1.0000 Uiso . . .
H1033 H 0.3470 0.4909 0.1306 0.1119 1.0000 Uiso . . .
H1032 H 0.2804 0.4667 0.1843 0.1119 1.0000 Uiso . . .
H1041 H 0.0069 0.7410 0.1379 0.0597 1.0000 Uiso . . .
H1051 H 0.0047 0.6758 0.2272 0.1199 1.0000 Uiso . . .
H1052 H -0.1146 0.7087 0.2089 0.1197 1.0000 Uiso . . .
H1053 H -0.0574 0.6332 0.1944 0.1199 1.0000 Uiso . . .
H1063 H -0.0575 0.7103 0.0465 0.1110 1.0000 Uiso . . .
H1061 H -0.1534 0.7364 0.0960 0.1110 1.0000 Uiso . . .
H1062 H -0.1048 0.6591 0.0851 0.1109 1.0000 Uiso . . .
H1071 H 0.0522 0.8456 -0.1002 0.0699 1.0000 Uiso . . .
H1081 H 0.1029 0.7418 -0.1445 0.1200 1.0000 Uiso . . .
H1083 H -0.0100 0.7816 -0.1687 0.1200 1.0000 Uiso . . .
H1082 H -0.0034 0.7263 -0.1170 0.1201 1.0000 Uiso . . .
H1092 H -0.1072 0.8826 -0.0371 0.1080 1.0000 Uiso . . .
H1091 H -0.1368 0.8736 -0.1044 0.1081 1.0000 Uiso . . .
H1093 H -0.1425 0.8190 -0.0537 0.1080 1.0000 Uiso . . .
H1101 H 0.3755 0.7736 -0.0415 0.0679 1.0000 Uiso . . .
H1113 H 0.3209 0.8489 -0.1219 0.1289 1.0000 Uiso . . .
H1111 H 0.4398 0.8041 -0.1383 0.1288 1.0000 Uiso . . .
H1112 H 0.3404 0.7899 -0.1676 0.1289 1.0000 Uiso . . .
H1121 H 0.4154 0.6570 -0.0574 0.1120 1.0000 Uiso . . .
H1122 H 0.4990 0.6850 -0.0972 0.1117 1.0000 Uiso . . .
H1123 H 0.4030 0.6704 -0.1282 0.1119 1.0000 Uiso . . .
H1131 H 0.2172 0.6380 -0.0645 0.0593 1.0000 Uiso . . .
H1132 H 0.1058 0.6509 -0.0232 0.0590 1.0000 Uiso . . .
H1141 H 0.3180 0.5991 0.0170 0.0498 1.0000 Uiso . . .
H1142 H 0.2206 0.5680 0.0321 0.0497 1.0000 Uiso . . .
C500 C -0.5000 0.5000 0.5000 0.1096 1.0000 Uani DS . .
C600 C 1.0000 0.5000 0.0000 0.1157 1.0000 Uani DS . .
C601 C 1.0665(7) 0.5039(9) -0.0536(2) 0.1111 0.5000 Uani D . .
C602 C 1.0061(8) 0.4967(9) 0.06470(13) 0.1088 0.5000 Uani D . .
C502 C -0.5122(15) 0.5170(5) 0.4389(2) 0.1089 0.5000 Uani D . .
C501 C -0.4854(15) 0.5357(4) 0.5489(3) 0.1096 0.5000 Uani D . .
C603 C 0.9186(12) 0.5064(7) 0.1084(3) 0.1076 0.5000 Uani D . .
C604 C 1.0316(13) 0.5199(7) -0.1130(3) 0.1084 0.5000 Uani D . .
C504 C -0.4591(9) 0.5190(7) 0.6055(3) 0.1100 0.5000 Uani D . .
C503 C -0.5118(10) 0.4825(7) 0.3897(2) 0.1161 0.5000 Uani D . .
H6031 H 0.9571 0.5100 0.1530 0.1670 0.5000 Uiso . . .
H6032 H 0.8555 0.5468 0.1301 0.1662 0.5000 Uiso . . .
H6033 H 0.9045 0.4598 0.1065 0.1669 0.5000 Uiso . . .
H6021 H 1.0120 0.5442 0.0702 0.1662 0.5000 Uiso . . .
H6022 H 1.0543 0.4502 0.0836 0.1670 0.5000 Uiso . . .
H6001 H 0.9307 0.5311 -0.0070 0.1750 0.5000 Uiso . . .
H6002 H 0.9812 0.4598 -0.0072 0.1750 0.5000 Uiso . . .
H6011 H 1.0715 0.5514 -0.0468 0.1691 0.5000 Uiso . . .
H6012 H 1.1304 0.4593 -0.0653 0.1675 0.5000 Uiso . . .
H6041 H 1.1065 0.5278 -0.1393 0.1670 0.5000 Uiso . . .
H6042 H 0.9937 0.5632 -0.1409 0.1682 0.5000 Uiso . . .
H6043 H 1.0223 0.4741 -0.1248 0.1669 0.5000 Uiso . . .
H5031 H -0.5395 0.5132 0.3569 0.1701 0.5000 Uiso . . .
H5032 H -0.5851 0.4719 0.3694 0.1701 0.5000 Uiso . . .
H5033 H -0.4800 0.4546 0.3580 0.1701 0.5000 Uiso . . .
H5021 H -0.5771 0.5536 0.4420 0.1661 0.5000 Uiso . . .
H5022 H -0.4412 0.5232 0.4280 0.1660 0.5000 Uiso . . .
H5001 H -0.5607 0.4839 0.5128 0.1670 0.5000 Uiso . . .
H5002 H -0.4428 0.4585 0.5006 0.1670 0.5000 Uiso . . .
H5011 H -0.5502 0.5718 0.5499 0.1670 0.5000 Uiso . . .
H5012 H -0.4149 0.5413 0.5359 0.1671 0.5000 Uiso . . .
H5041 H -0.4760 0.5574 0.6314 0.1701 0.5000 Uiso . . .
H5042 H -0.5185 0.5153 0.6470 0.1701 0.5000 Uiso . . .
H5043 H -0.4144 0.4979 0.6362 0.1701 0.5000 Uiso . . .
F120 F -0.3788(3) 0.0891(2) 0.4126(2) 0.0825 0.8416 Uani D 5 1
F121 F -0.4053(7) 0.1181(6) 0.3959(7) 0.0602 0.1584 Uani D 5 2
F100 F -0.3361(3) 0.0125(2) 0.3448(2) 0.0600 0.8416 Uani D 5 1
F101 F -0.3298(3) 0.0143(4) 0.3762(8) 0.0642 0.1584 Uani D 5 2
F110 F -0.4004(8) 0.0825(9) 0.3043(3) 0.0639 0.1584 Uani D 5 2
F111 F -0.4205(3) 0.1134(2) 0.3194(2) 0.0852 0.8416 Uani D 5 1
F20 F -0.1751(5) 0.51477(19) 0.4103(2) 0.1111 1.0000 Uani . . .
F19 F -0.2219(4) 0.4623(2) 0.4871(2) 0.0878 1.0000 Uani . . .
F21 F -0.0590(3) 0.4460(2) 0.4614(2) 0.0697 1.0000 Uani . . .
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
Rh -1.1178 0.9187 19.2957 0.7515 14.3501 8.2176 4.7343 25.8749 1.2892 98.6062
5.3280 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
P 0.1023 0.0942 6.4345 1.9067 4.1791 27.1570 1.7800 0.5260 1.4908 68.1645
1.1149 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
O 0.0106 0.0060 3.0485 13.2771 2.2868 5.7011 1.5463 0.3239 0.8670 32.9089
0.2508 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
B 0.0013 0.0007 2.0545 23.2185 1.3326 1.0210 1.0979 60.3498 0.7068 0.1403
-0.1932 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
F 0.0171 0.0103 3.5392 10.2825 2.6412 4.2944 1.5170 0.2615 1.0243 26.1476
0.2776 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
C 0.0033 0.0016 2.3100 20.8439 1.0200 10.2075 1.5886 0.5687 0.8650 51.6512
0.2156 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
H 0.0000 0.0000 0.4930 10.5109 0.3229 26.1257 0.1402 3.1424 0.0408 57.7998
0.0030 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_site_symmetry_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C16 . C15 C20 . 114.6(4) yes
C16 . C15 Rh1 . 67.4(3) yes
C20 . C15 Rh1 . 67.6(3) yes
C16 . C15 B1 . 118.8(4) yes
C20 . C15 B1 . 126.2(4) yes
Rh1 . C15 B1 . 141.6(3) yes
C15 . C16 C17 . 122.8(4) yes
C15 . C16 Rh1 . 78.5(3) yes
C17 . C16 Rh1 . 71.4(3) yes
C15 . C16 H161 . 118.9 no
C17 . C16 H161 . 118.3 no
Rh1 . C16 H161 . 120.6 no
C16 . C17 C18 . 121.6(4) yes
C16 . C17 C21 . 117.8(5) yes
C18 . C17 C21 . 120.2(5) yes
C16 . C17 Rh1 . 72.8(3) yes
C18 . C17 Rh1 . 74.8(3) yes
C21 . C17 Rh1 . 131.3(4) yes
C17 . C18 C19 . 116.4(4) yes
C17 . C18 Rh1 . 69.8(3) yes
C19 . C18 Rh1 . 70.4(3) yes
C17 . C18 H181 . 121.0 no
C19 . C18 H181 . 122.2 no
Rh1 . C18 H181 . 123.8 no
C18 . C19 C20 . 121.3(4) yes
C18 . C19 C22 . 118.3(5) yes
C20 . C19 C22 . 120.2(4) yes
C18 . C19 Rh1 . 74.6(3) yes
C20 . C19 Rh1 . 72.7(3) yes
C22 . C19 Rh1 . 129.5(4) yes
C15 . C20 C19 . 122.6(4) yes
C15 . C20 Rh1 . 77.9(3) yes
C19 . C20 Rh1 . 71.5(3) yes
C15 . C20 H201 . 118.5 no
C19 . C20 H201 . 118.9 no
Rh1 . C20 H201 . 121.4 no
C17 . C21 F5 . 112.1(5) yes
C17 . C21 F6 . 114.2(5) yes
F5 . C21 F6 . 106.3(5) yes
C17 . C21 F4 . 110.9(5) yes
F5 . C21 F4 . 106.4(5) yes
F6 . C21 F4 . 106.5(4) yes
C19 . C22 F3 . 109.2(4) yes
C19 . C22 F1 . 112.7(4) yes
F3 . C22 F1 . 106.4(4) yes
C19 . C22 F2 . 112.8(4) yes
F3 . C22 F2 . 106.9(4) yes
F1 . C22 F2 . 108.4(5) yes
C24 . C23 C28 . 114.8(4) yes
C24 . C23 B1 . 125.1(4) yes
C28 . C23 B1 . 119.7(4) yes
C23 . C24 C25 . 122.9(5) yes
C23 . C24 H241 . 117.9 no
C25 . C24 H241 . 119.2 no
C24 . C25 C26 . 120.6(5) yes
C24 . C25 C29 . 119.2(5) yes
C26 . C25 C29 . 120.1(5) yes
C25 . C26 C27 . 117.9(5) yes
C25 . C26 H261 . 121.6 no
C27 . C26 H261 . 120.5 no
C26 . C27 C28 . 121.0(5) yes
C26 . C27 C30 . 121.1(5) yes
C28 . C27 C30 . 118.0(5) yes
C23 . C28 C27 . 122.7(5) yes
C23 . C28 H281 . 118.5 no
C27 . C28 H281 . 118.8 no
C25 . C29 F17 . 112.3(5) yes
C25 . C29 F16 . 113.5(5) yes
F17 . C29 F16 . 105.4(5) yes
C25 . C29 F18 . 112.8(5) yes
F17 . C29 F18 . 106.0(5) yes
F16 . C29 F18 . 106.3(5) yes
C27 . C30 F14 . 112.6(5) yes
C27 . C30 F13 . 112.8(5) yes
F14 . C30 F13 . 103.1(5) yes
C27 . C30 F15 . 113.9(5) yes
F14 . C30 F15 . 105.5(5) yes
F13 . C30 F15 . 108.2(5) yes
C32 . C31 C36 . 115.6(5) yes
C32 . C31 B1 . 119.4(5) yes
C36 . C31 B1 . 125.0(5) yes
C31 . C32 C33 . 122.1(5) yes
C31 . C32 H321 . 119.5 no
C33 . C32 H321 . 118.5 no
C32 . C33 C34 . 121.1(4) yes
C32 . C33 C38 . 120.1(3) yes
C34 . C33 C38 . 118.8(3) yes
C33 . C34 C35 . 118.1(5) yes
C33 . C34 H341 . 120.4 no
C35 . C34 H341 . 121.5 no
C34 . C35 C36 . 121.0(5) yes
C34 . C35 C37 . 118.0(5) yes
C36 . C35 C37 . 121.0(5) yes
C31 . C36 C35 . 122.2(5) yes
C31 . C36 H361 . 119.6 no
C35 . C36 H361 . 118.2 no
C35 . C37 F9 . 112.7(6) yes
C35 . C37 F8 . 112.3(5) yes
F9 . C37 F8 . 104.1(6) yes
C35 . C37 F7 . 113.9(6) yes
F9 . C37 F7 . 105.8(6) yes
F8 . C37 F7 . 107.4(6) yes
C33 . C38 F120 . 111.51(5) yes
C33 . C38 F100 . 111.53(5) yes
F120 . C38 F100 . 107.30(5) yes
C33 . C38 F111 . 111.52(5) yes
F120 . C38 F111 . 107.38(5) yes
F100 . C38 F111 . 107.37(5) yes
C33 . C38 F121 . 111.52(5) yes
C33 . C38 F101 . 111.52(5) yes
F121 . C38 F101 . 107.38(5) yes
C33 . C38 F110 . 111.49(5) yes
F121 . C38 F110 . 107.35(5) yes
F101 . C38 F110 . 107.36(5) yes
C40 . C39 C44 . 116.8(4) yes
C40 . C39 B1 . 123.3(5) yes
C44 . C39 B1 . 119.8(4) yes
C39 . C40 C41 . 121.1(5) yes
C39 . C40 H401 . 120.2 no
C41 . C40 H401 . 118.7 no
C40 . C41 C42 . 120.7(5) yes
C40 . C41 C45 . 120.2(5) yes
C42 . C41 C45 . 119.0(5) yes
C41 . C42 C43 . 119.1(4) yes
C41 . C42 H421 . 120.3 no
C43 . C42 H421 . 120.5 no
C42 . C43 C44 . 119.8(5) yes
C42 . C43 C46 . 120.6(5) yes
C44 . C43 C46 . 119.5(5) yes
C39 . C44 C43 . 122.3(5) yes
C39 . C44 H441 . 119.3 no
C43 . C44 H441 . 118.3 no
C41 . C45 F24 . 113.1(5) yes
C41 . C45 F23 . 113.6(4) yes
F24 . C45 F23 . 105.3(5) yes
C41 . C45 F22 . 112.4(5) yes
F24 . C45 F22 . 105.2(5) yes
F23 . C45 F22 . 106.5(5) yes
C43 . C46 F20 . 114.0(5) yes
C43 . C46 F19 . 111.8(5) yes
F20 . C46 F19 . 106.7(5) yes
C43 . C46 F21 . 114.4(5) yes
F20 . C46 F21 . 106.1(5) yes
F19 . C46 F21 . 103.1(5) yes
C116 . C115 C120 . 113.8(4) yes
C116 . C115 Rh2 . 67.9(3) yes
C120 . C115 Rh2 . 67.5(3) yes
C116 . C115 B101 . 125.1(4) yes
C120 . C115 B101 . 120.6(4) yes
Rh2 . C115 B101 . 140.9(3) yes
C115 . C116 C117 . 123.6(5) yes
C115 . C116 Rh2 . 77.8(3) yes
C117 . C116 Rh2 . 71.0(3) yes
C115 . C116 H1161 . 118.6 no
C117 . C116 H1161 . 117.8 no
Rh2 . C116 H1161 . 123.0 no
C116 . C117 C118 . 120.8(5) yes
C116 . C117 C122 . 118.9(5) yes
C118 . C117 C122 . 119.9(5) yes
C116 . C117 Rh2 . 73.4(3) yes
C118 . C117 Rh2 . 74.7(3) yes
C122 . C117 Rh2 . 129.7(4) yes
C117 . C118 C119 . 116.8(5) yes
C117 . C118 Rh2 . 69.9(3) yes
C119 . C118 Rh2 . 69.7(3) yes
C117 . C118 H1181 . 120.3 no
C119 . C118 H1181 . 122.1 no
Rh2 . C118 H1181 . 122.9 no
C118 . C119 C120 . 121.4(5) yes
C118 . C119 C121 . 119.4(5) yes
C120 . C119 C121 . 118.6(5) yes
C118 . C119 Rh2 . 75.4(3) yes
C120 . C119 Rh2 . 73.3(3) yes
C121 . C119 Rh2 . 131.1(4) yes
C119 . C120 C115 . 123.0(4) yes
C119 . C120 Rh2 . 70.8(3) yes
C115 . C120 Rh2 . 78.1(3) yes
C119 . C120 H1201 . 118.1 no
C115 . C120 H1201 . 118.8 no
Rh2 . C120 H1201 . 120.6 no
C119 . C121 F25 . 112.5(5) yes
C119 . C121 F26 . 112.7(5) yes
F25 . C121 F26 . 107.1(5) yes
C119 . C121 F27 . 111.0(5) yes
F25 . C121 F27 . 106.6(5) yes
F26 . C121 F27 . 106.5(5) yes
C117 . C122 F29 . 109.8(5) yes
C117 . C122 F30 . 112.2(5) yes
F29 . C122 F30 . 106.3(5) yes
C117 . C122 F28 . 113.1(5) yes
F29 . C122 F28 . 107.8(5) yes
F30 . C122 F28 . 107.4(5) yes
C124 . C123 C128 . 115.5(5) yes
C124 . C123 B101 . 119.9(4) yes
C128 . C123 B101 . 124.6(4) yes
C123 . C124 C125 . 123.0(5) yes
C123 . C124 H1241 . 117.8 no
C125 . C124 H1241 . 119.2 no
C124 . C125 C126 . 120.6(4) yes
C124 . C125 C129 . 122.0(3) yes
C126 . C125 C129 . 117.3(3) yes
C125 . C126 C127 . 117.8(5) yes
C125 . C126 H1261 . 121.5 no
C127 . C126 H1261 . 120.7 no
C126 . C127 C128 . 121.0(5) yes
C126 . C127 C130 . 119.6(5) yes
C128 . C127 C130 . 119.4(5) yes
C123 . C128 C127 . 122.1(5) yes
C123 . C128 H1281 . 118.6 no
C127 . C128 H1281 . 119.3 no
C125 . C129 F340 . 113.60(5) yes
C125 . C129 F350 . 113.59(5) yes
F340 . C129 F350 . 105.06(5) yes
C125 . C129 F360 . 113.59(5) yes
F340 . C129 F360 . 105.07(5) yes
F350 . C129 F360 . 105.04(5) yes
C125 . C129 F341 . 113.58(5) yes
C125 . C129 F351 . 113.60(5) yes
F341 . C129 F351 . 105.06(5) yes
C125 . C129 F361 . 113.60(5) yes
F341 . C129 F361 . 105.02(5) yes
F351 . C129 F361 . 105.07(5) yes
C127 . C130 F33 . 112.7(5) yes
C127 . C130 F31 . 112.0(5) yes
F33 . C130 F31 . 101.4(5) yes
C127 . C130 F32 . 114.6(5) yes
F33 . C130 F32 . 108.9(6) yes
F31 . C130 F32 . 106.4(6) yes
C132 . C131 C136 . 114.9(5) yes
C132 . C131 B101 . 120.7(4) yes
C136 . C131 B101 . 124.3(4) yes
C131 . C132 C133 . 122.7(5) yes
C131 . C132 H1321 . 118.8 no
C133 . C132 H1321 . 118.5 no
C132 . C133 C134 . 120.9(4) yes
C132 . C133 C137 . 121.5(3) yes
C134 . C133 C137 . 117.7(3) yes
C133 . C134 C135 . 117.3(4) yes
C133 . C134 H1341 . 122.0 no
C135 . C134 H1341 . 120.7 no
C134 . C135 C136 . 120.7(4) yes
C134 . C135 C138 . 120.3(3) yes
C136 . C135 C138 . 119.0(3) yes
C131 . C136 C135 . 123.4(4) yes
C131 . C136 H1361 . 118.5 no
C135 . C136 H1361 . 118.1 no
C133 . C137 F391 . 112.94(5) yes
C133 . C137 F380 . 112.91(5) yes
F391 . C137 F380 . 105.79(5) yes
C133 . C137 F370 . 112.94(5) yes
F391 . C137 F370 . 105.82(5) yes
F380 . C137 F370 . 105.79(5) yes
C133 . C137 F390 . 112.92(5) yes
C133 . C137 F381 . 112.95(5) yes
F390 . C137 F381 . 105.80(5) yes
C133 . C137 F371 . 112.95(5) yes
F390 . C137 F371 . 105.77(5) yes
F381 . C137 F371 . 105.80(5) yes
C135 . C138 F410 . 111.97(5) yes
C135 . C138 F421 . 112.00(5) yes
F410 . C138 F421 . 106.79(5) yes
C135 . C138 F401 . 112.04(5) yes
F410 . C138 F401 . 106.86(5) yes
F421 . C138 F401 . 106.82(5) yes
C135 . C138 F411 . 112.00(5) yes
C135 . C138 F420 . 112.03(5) yes
F411 . C138 F420 . 106.87(5) yes
C135 . C138 F400 . 111.96(5) yes
F411 . C138 F400 . 106.79(5) yes
F420 . C138 F400 . 106.83(5) yes
C140 . C139 C144 . 116.7(4) yes
C140 . C139 B101 . 119.8(5) yes
C144 . C139 B101 . 123.4(5) yes
C139 . C140 C141 . 122.3(5) yes
C139 . C140 H1401 . 118.9 no
C141 . C140 H1401 . 118.8 no
C140 . C141 C142 . 120.0(4) yes
C140 . C141 C145 . 119.7(3) yes
C142 . C141 C145 . 119.9(3) yes
C141 . C142 C143 . 118.9(4) yes
C141 . C142 H1421 . 120.6 no
C143 . C142 H1421 . 120.5 no
C142 . C143 C144 . 120.3(5) yes
C142 . C143 C146 . 118.6(5) yes
C144 . C143 C146 . 121.0(5) yes
C143 . C144 C139 . 121.6(5) yes
C143 . C144 H1441 . 119.4 no
C139 . C144 H1441 . 119.0 no
C141 . C145 F431 . 112.91(5) yes
C141 . C145 F451 . 112.96(5) yes
F431 . C145 F451 . 105.84(5) yes
C141 . C145 F440 . 112.89(5) yes
F431 . C145 F440 . 105.83(5) yes
F451 . C145 F440 . 105.77(5) yes
C141 . C145 F430 . 112.89(5) yes
C141 . C145 F450 . 112.93(5) yes
F430 . C145 F450 . 105.80(5) yes
C141 . C145 F441 . 112.94(5) yes
F430 . C145 F441 . 105.80(5) yes
F450 . C145 F441 . 105.83(5) yes
C143 . C146 F47 . 112.4(5) yes
C143 . C146 F46 . 114.1(5) yes
F47 . C146 F46 . 104.2(5) yes
C143 . C146 F48 . 113.1(5) yes
F47 . C146 F48 . 104.4(5) yes
F46 . C146 F48 . 107.8(6) yes
C2 . C1 C3 . 113.5(5) yes
C2 . C1 O2 . 106.5(5) yes
C3 . C1 O2 . 109.3(5) yes
C2 . C1 H11 . 109.7 no
C3 . C1 H11 . 109.1 no
O2 . C1 H11 . 108.7 no
C1 . C2 H22 . 109.4 no
C1 . C2 H21 . 109.2 no
H22 . C2 H21 . 109.7 no
C1 . C2 H23 . 108.2 no
H22 . C2 H23 . 109.9 no
H21 . C2 H23 . 110.4 no
C1 . C3 H33 . 110.9 no
C1 . C3 H31 . 108.6 no
H33 . C3 H31 . 110.2 no
C1 . C3 H32 . 109.0 no
H33 . C3 H32 . 109.2 no
H31 . C3 H32 . 108.9 no
C5 . C4 C6 . 113.2(5) yes
C5 . C4 O1 . 110.1(5) yes
C6 . C4 O1 . 104.5(5) yes
C5 . C4 H41 . 110.1 no
C6 . C4 H41 . 109.4 no
O1 . C4 H41 . 109.3 no
C4 . C5 H51 . 110.8 no
C4 . C5 H52 . 109.3 no
H51 . C5 H52 . 109.5 no
C4 . C5 H53 . 109.1 no
H51 . C5 H53 . 108.7 no
H52 . C5 H53 . 109.3 no
C4 . C6 H62 . 110.8 no
C4 . C6 H63 . 108.4 no
H62 . C6 H63 . 108.6 no
C4 . C6 H61 . 110.2 no
H62 . C6 H61 . 109.7 no
H63 . C6 H61 . 109.0 no
C8 . C7 C9 . 112.4(7) yes
C8 . C7 O3 . 106.9(6) yes
C9 . C7 O3 . 108.2(6) yes
C8 . C7 H71 . 110.5 no
C9 . C7 H71 . 110.1 no
O3 . C7 H71 . 108.7 no
C7 . C8 H83 . 109.6 no
C7 . C8 H81 . 110.0 no
H83 . C8 H81 . 109.3 no
C7 . C8 H82 . 108.8 no
H83 . C8 H82 . 109.4 no
H81 . C8 H82 . 109.7 no
C7 . C9 H91 . 109.1 no
C7 . C9 H92 . 109.4 no
H91 . C9 H92 . 110.3 no
C7 . C9 H93 . 108.7 no
H91 . C9 H93 . 109.7 no
H92 . C9 H93 . 109.6 no
C11 . C10 C12 . 113.5(6) yes
C11 . C10 O4 . 110.7(5) yes
C12 . C10 O4 . 105.1(5) yes
C11 . C10 H101 . 108.7 no
C12 . C10 H101 . 109.0 no
O4 . C10 H101 . 109.8 no
C10 . C11 H112 . 110.0 no
C10 . C11 H113 . 109.6 no
H112 . C11 H113 . 109.5 no
C10 . C11 H111 . 109.6 no
H112 . C11 H111 . 109.2 no
H113 . C11 H111 . 109.0 no
C10 . C12 H121 . 110.6 no
C10 . C12 H123 . 108.5 no
H121 . C12 H123 . 108.9 no
C10 . C12 H122 . 109.6 no
H121 . C12 H122 . 109.6 no
H123 . C12 H122 . 109.6 no
C14 . C13 P2 . 106.2(4) yes
C14 . C13 H132 . 110.5 no
P2 . C13 H132 . 109.8 no
C14 . C13 H131 . 110.5 no
P2 . C13 H131 . 109.8 no
H132 . C13 H131 . 110.0 no
C13 . C14 P1 . 105.2(4) yes
C13 . C14 H141 . 111.5 no
P1 . C14 H141 . 110.5 no
C13 . C14 H142 . 110.6 no
P1 . C14 H142 . 110.2 no
H141 . C14 H142 . 108.7 no
C102 . C101 C103 . 114.8(6) yes
C102 . C101 O101 . 105.3(5) yes
C103 . C101 O101 . 111.1(6) yes
C102 . C101 H1011 . 109.2 no
C103 . C101 H1011 . 108.7 no
O101 . C101 H1011 . 107.4 no
C101 . C102 H1022 . 110.8 no
C101 . C102 H1023 . 109.2 no
H1022 . C102 H1023 . 109.9 no
C101 . C102 H1021 . 108.3 no
H1022 . C102 H1021 . 109.3 no
H1023 . C102 H1021 . 109.3 no
C101 . C103 H1031 . 110.1 no
C101 . C103 H1033 . 109.2 no
H1031 . C103 H1033 . 110.1 no
C101 . C103 H1032 . 109.4 no
H1031 . C103 H1032 . 108.9 no
H1033 . C103 H1032 . 109.2 no
C105 . C104 C106 . 112.5(6) yes
C105 . C104 O102 . 107.7(6) yes
C106 . C104 O102 . 107.1(6) yes
C105 . C104 H1041 . 110.0 no
C106 . C104 H1041 . 110.5 no
O102 . C104 H1041 . 108.9 no
C104 . C105 H1051 . 110.8 no
C104 . C105 H1052 . 108.5 no
H1051 . C105 H1052 . 109.1 no
C104 . C105 H1053 . 109.6 no
H1051 . C105 H1053 . 109.7 no
H1052 . C105 H1053 . 109.1 no
C104 . C106 H1063 . 110.4 no
C104 . C106 H1061 . 109.2 no
H1063 . C106 H1061 . 108.8 no
C104 . C106 H1062 . 110.2 no
H1063 . C106 H1062 . 109.3 no
H1061 . C106 H1062 . 109.0 no
C108 . C107 C109 . 113.4(6) yes
C108 . C107 O103 . 112.1(6) yes
C109 . C107 O103 . 104.9(6) yes
C108 . C107 H1071 . 108.9 no
C109 . C107 H1071 . 108.8 no
O103 . C107 H1071 . 108.6 no
C107 . C108 H1081 . 109.5 no
C107 . C108 H1083 . 109.6 no
H1081 . C108 H1083 . 109.5 no
C107 . C108 H1082 . 109.2 no
H1081 . C108 H1082 . 109.3 no
H1083 . C108 H1082 . 109.7 no
C107 . C109 H1092 . 109.6 no
C107 . C109 H1091 . 109.5 no
H1092 . C109 H1091 . 109.3 no
C107 . C109 H1093 . 109.7 no
H1092 . C109 H1093 . 109.7 no
H1091 . C109 H1093 . 109.0 no
C111 . C110 C112 . 111.6(7) yes
C111 . C110 O104 . 105.0(6) yes
C112 . C110 O104 . 111.9(6) yes
C111 . C110 H1101 . 109.1 no
C112 . C110 H1101 . 110.5 no
O104 . C110 H1101 . 108.6 no
C110 . C111 H1113 . 109.4 no
C110 . C111 H1111 . 109.6 no
H1113 . C111 H1111 . 109.8 no
C110 . C111 H1112 . 108.9 no
H1113 . C111 H1112 . 108.8 no
H1111 . C111 H1112 . 110.2 no
C110 . C112 H1121 . 110.0 no
C110 . C112 H1122 . 109.7 no
H1121 . C112 H1122 . 109.2 no
C110 . C112 H1123 . 110.0 no
H1121 . C112 H1123 . 109.2 no
H1122 . C112 H1123 . 108.8 no
C114 . C113 P102 . 109.3(4) yes
C114 . C113 H1131 . 109.1 no
P102 . C113 H1131 . 109.6 no
C114 . C113 H1132 . 109.1 no
P102 . C113 H1132 . 109.2 no
H1131 . C113 H1132 . 110.6 no
C113 . C114 P101 . 107.2(4) yes
C113 . C114 H1141 . 109.8 no
P101 . C114 H1141 . 108.6 no
C113 . C114 H1142 . 111.5 no
P101 . C114 H1142 . 110.0 no
H1141 . C114 H1142 . 109.7 no
C4 . O1 P1 . 127.0(3) yes
C1 . O2 P1 . 126.4(3) yes
C7 . O3 P2 . 128.0(4) yes
C10 . O4 P2 . 126.2(4) yes
C101 . O101 P101 . 126.9(4) yes
C104 . O102 P101 . 127.1(4) yes
C107 . O103 P102 . 129.1(4) yes
C110 . O104 P102 . 127.5(4) yes
C14 . P1 O2 . 97.3(2) yes
C14 . P1 O1 . 109.1(2) yes
O2 . P1 O1 . 107.1(2) yes
C14 . P1 Rh1 . 113.18(18) yes
O2 . P1 Rh1 . 119.96(15) yes
O1 . P1 Rh1 . 109.35(15) yes
C13 . P2 O3 . 98.9(2) yes
C13 . P2 O4 . 108.3(2) yes
O3 . P2 O4 . 104.7(2) yes
C13 . P2 Rh1 . 111.90(17) yes
O3 . P2 Rh1 . 119.60(15) yes
O4 . P2 Rh1 . 112.26(14) yes
C114 . P101 O102 . 99.9(3) yes
C114 . P101 O101 . 107.8(2) yes
O102 . P101 O101 . 104.7(2) yes
C114 . P101 Rh2 . 110.7(2) yes
O102 . P101 Rh2 . 119.71(16) yes
O101 . P101 Rh2 . 112.66(16) yes
C113 . P102 O103 . 103.7(3) yes
C113 . P102 O104 . 107.0(3) yes
O103 . P102 O104 . 100.3(2) yes
C113 . P102 Rh2 . 113.4(2) yes
O103 . P102 Rh2 . 110.96(17) yes
O104 . P102 Rh2 . 119.68(18) yes
C19 . Rh1 C16 . 74.09(18) yes
C19 . Rh1 C20 . 35.81(17) yes
C16 . Rh1 C20 . 61.80(17) yes
C19 . Rh1 C17 . 62.77(18) yes
C16 . Rh1 C17 . 35.80(18) yes
C20 . Rh1 C17 . 73.86(17) yes
C19 . Rh1 C18 . 35.00(18) yes
C16 . Rh1 C18 . 63.87(18) yes
C20 . Rh1 C18 . 63.52(17) yes
C17 . Rh1 C18 . 35.38(18) yes
C19 . Rh1 C15 . 63.17(17) yes
C16 . Rh1 C15 . 34.12(16) yes
C20 . Rh1 C15 . 34.53(16) yes
C17 . Rh1 C15 . 62.77(17) yes
C18 . Rh1 C15 . 74.64(17) yes
C19 . Rh1 P1 . 104.87(13) yes
C16 . Rh1 P1 . 158.74(13) yes
C20 . Rh1 P1 . 104.54(12) yes
C17 . Rh1 P1 . 161.58(14) yes
C18 . Rh1 P1 . 127.06(13) yes
C19 . Rh1 P2 . 157.74(13) yes
C16 . Rh1 P2 . 107.21(12) yes
C20 . Rh1 P2 . 163.56(13) yes
C17 . Rh1 P2 . 104.76(13) yes
C18 . Rh1 P2 . 124.70(13) yes
C15 . Rh1 P1 . 125.94(12) yes
C15 . Rh1 P2 . 129.92(12) yes
P1 . Rh1 P2 . 81.94(5) yes
C31 . B1 C15 . 106.9(4) yes
C31 . B1 C39 . 110.1(4) yes
C15 . B1 C39 . 107.5(4) yes
C31 . B1 C23 . 106.2(4) yes
C15 . B1 C23 . 114.6(4) yes
C39 . B1 C23 . 111.4(4) yes
C120 . Rh2 C116 . 61.49(18) yes
C120 . Rh2 C117 . 73.98(17) yes
C116 . Rh2 C117 . 35.59(18) yes
C120 . Rh2 C119 . 35.98(17) yes
C116 . Rh2 C119 . 73.81(18) yes
C117 . Rh2 C119 . 62.95(19) yes
C120 . Rh2 C118 . 63.34(17) yes
C116 . Rh2 C118 . 63.28(18) yes
C117 . Rh2 C118 . 35.34(18) yes
C119 . Rh2 C118 . 34.89(18) yes
C120 . Rh2 C115 . 34.42(17) yes
C116 . Rh2 C115 . 34.33(16) yes
C117 . Rh2 C115 . 63.21(17) yes
C119 . Rh2 C115 . 63.44(17) yes
C118 . Rh2 C115 . 74.69(17) yes
C120 . Rh2 P102 . 163.19(13) yes
C116 . Rh2 P102 . 106.56(13) yes
C117 . Rh2 P102 . 103.50(14) yes
C119 . Rh2 P102 . 157.07(14) yes
C118 . Rh2 P102 . 123.96(13) yes
C120 . Rh2 P101 . 105.35(13) yes
C116 . Rh2 P101 . 159.30(13) yes
C117 . Rh2 P101 . 161.78(15) yes
C119 . Rh2 P101 . 105.45(14) yes
C118 . Rh2 P101 . 127.58(14) yes
C115 . Rh2 P102 . 129.35(12) yes
C115 . Rh2 P101 . 126.24(12) yes
P102 . Rh2 P101 . 82.28(6) yes
C123 . B101 C131 . 106.2(4) yes
C123 . B101 C115 . 107.0(4) yes
C131 . B101 C115 . 112.9(4) yes
C123 . B101 C139 . 111.3(4) yes
C131 . B101 C139 . 111.4(4) yes
C115 . B101 C139 . 107.9(4) yes
H5002 2_466 C500 H5001 2_466 99.7 no
H5002 2_466 C500 C501 2_466 105.5 no
H5001 2_466 C500 C501 2_466 105.2 no
H5002 2_466 C500 C502 2_466 105.5 no
H5001 2_466 C500 C502 2_466 105.2 no
C501 2_466 C500 C502 2_466 131.49(3) yes
H5002 2_466 C500 C502 . 74.5 no
H5001 2_466 C500 C502 . 74.8 no
C501 2_466 C500 C502 . 48.51(3) yes
C502 2_466 C500 C502 . 179.992 yes
H5002 2_466 C500 C501 . 74.5 no
H5001 2_466 C500 C501 . 74.8 no
C501 2_466 C500 C501 . 179.992 yes
C502 2_466 C500 C501 . 48.51(3) yes
C502 . C500 C501 . 131.49(3) yes
H5002 2_466 C500 H5001 . 80.3 no
H5001 2_466 C500 H5001 . 180.0 no
C501 2_466 C500 H5001 . 74.8 no
C502 2_466 C500 H5001 . 74.8 no
C502 . C500 H5001 . 105.2 no
H5002 2_466 C500 H5002 . 180.0 no
H5001 2_466 C500 H5002 . 80.3 no
C501 2_466 C500 H5002 . 74.5 no
C502 2_466 C500 H5002 . 74.5 no
C502 . C500 H5002 . 105.5 no
C501 . C500 H5001 . 105.2 no
C501 . C500 H5002 . 105.5 no
H5001 . C500 H5002 . 99.7 no
C602 2_765 C600 C601 2_765 139.23(3) yes
C602 2_765 C600 H6001 2_765 105.1 no
C601 2_765 C600 H6001 2_765 105.3 no
C602 2_765 C600 H6002 2_765 101.2 no
C601 2_765 C600 H6002 2_765 101.2 no
H6001 2_765 C600 H6002 2_765 97.3 no
C602 2_765 C600 C601 . 40.77(3) yes
C601 2_765 C600 C601 . 179.992 yes
H6001 2_765 C600 C601 . 74.7 no
H6002 2_765 C600 C601 . 78.8 no
C602 2_765 C600 C602 . 179.992 yes
C601 2_765 C600 C602 . 40.77(3) yes
H6001 2_765 C600 C602 . 74.9 no
H6002 2_765 C600 C602 . 78.8 no
C601 . C600 C602 . 139.23(3) yes
C602 2_765 C600 H6001 . 74.9 no
C601 2_765 C600 H6001 . 74.7 no
H6001 2_765 C600 H6001 . 180.0 no
H6002 2_765 C600 H6001 . 82.7 no
C601 . C600 H6001 . 105.3 no
C602 2_765 C600 H6002 . 78.8 no
C601 2_765 C600 H6002 . 78.8 no
H6001 2_765 C600 H6002 . 82.7 no
H6002 2_765 C600 H6002 . 180.0 no
C601 . C600 H6002 . 101.2 no
C602 . C600 H6001 . 105.1 no
C602 . C600 H6002 . 101.2 no
H6001 . C600 H6002 . 97.3 no
C600 . C601 C603 2_765 145.46(6) yes
C600 . C601 C602 2_765 69.62(4) yes
C603 2_765 C601 C602 2_765 78.25(5) yes
C600 . C601 C604 . 126.22(5) yes
C603 2_765 C601 C604 . 31.16(5) yes
C602 2_765 C601 C604 . 58.05(5) yes
C600 . C601 H6011 . 96.9 no
C603 2_765 C601 H6011 . 107.3 no
C602 2_765 C601 H6011 . 113.2 no
C604 . C601 H6011 . 92.7 no
C600 . C601 H6012 . 116.4 no
C603 2_765 C601 H6012 . 66.1 no
C602 2_765 C601 H6012 . 114.6 no
C604 . C601 H6012 . 96.8 no
H6011 . C601 H6012 . 128.7 no
C600 . C602 C604 2_765 145.44(6) yes
C600 . C602 C601 2_765 69.61(4) yes
C604 2_765 C602 C601 2_765 78.25(5) yes
C600 . C602 C603 . 126.24(5) yes
C604 2_765 C602 C603 . 31.16(5) yes
C601 2_765 C602 C603 . 58.06(5) yes
C600 . C602 H6021 . 97.3 no
C604 2_765 C602 H6021 . 107.0 no
C601 2_765 C602 H6021 . 113.3 no
C603 . C602 H6021 . 92.6 no
C600 . C602 H6022 . 116.4 no
C604 2_765 C602 H6022 . 65.9 no
C601 2_765 C602 H6022 . 114.4 no
C603 . C602 H6022 . 96.6 no
H6021 . C602 H6022 . 128.5 no
C504 2_466 C502 C500 . 127.19(6) yes
C504 2_466 C502 C501 2_466 62.09(5) yes
C500 . C502 C501 2_466 65.75(4) yes
C504 2_466 C502 C503 . 16.59(5) yes
C500 . C502 C503 . 133.42(6) yes
C501 2_466 C502 C503 . 68.39(5) yes
C504 2_466 C502 H5021 . 98.6 no
C500 . C502 H5021 . 100.3 no
C501 2_466 C502 H5021 . 120.2 no
C503 . C502 H5021 . 109.3 no
C504 2_466 C502 H5022 . 110.6 no
C500 . C502 H5022 . 99.3 no
C501 2_466 C502 H5022 . 116.9 no
C503 . C502 H5022 . 94.0 no
H5021 . C502 H5022 . 122.7 no
C503 2_466 C501 C500 . 127.21(6) yes
C503 2_466 C501 C502 2_466 62.09(5) yes
C500 . C501 C502 2_466 65.75(4) yes
C503 2_466 C501 C504 . 16.59(5) yes
C500 . C501 C504 . 133.40(6) yes
C502 2_466 C501 C504 . 68.40(5) yes
C503 2_466 C501 H5011 . 98.1 no
C500 . C501 H5011 . 101.1 no
C502 2_466 C501 H5011 . 120.5 no
C504 . C501 H5011 . 108.7 no
C503 2_466 C501 H5012 . 110.2 no
C500 . C501 H5012 . 99.5 no
C502 2_466 C501 H5012 . 116.7 no
C504 . C501 H5012 . 93.6 no
H5011 . C501 H5012 . 122.8 no
H6041 2_765 C603 H6043 2_765 114.4 no
H6041 2_765 C603 C602 . 131.5 no
H6043 2_765 C603 C602 . 70.5 no
H6041 2_765 C603 H6012 2_765 129.1 no
H6043 2_765 C603 H6012 2_765 113.1 no
C602 . C603 H6012 2_765 81.5 no
H6041 2_765 C603 C601 2_765 121.5 no
H6043 2_765 C603 C601 2_765 111.6 no
C602 . C603 C601 2_765 43.69(5) yes
H6012 2_765 C603 C601 2_765 51.6 no
H6041 2_765 C603 H6031 . 75.2 no
H6043 2_765 C603 H6031 . 40.2 no
C602 . C603 H6031 . 102.7 no
H6012 2_765 C603 H6031 . 143.2 no
C601 2_765 C603 H6031 . 146.3 no
H6041 2_765 C603 H6032 . 88.3 no
H6043 2_765 C603 H6032 . 89.9 no
C602 . C603 H6032 . 139.8 no
H6012 2_765 C603 H6032 . 74.4 no
C601 2_765 C603 H6032 . 125.9 no
H6041 2_765 C603 H6033 . 42.2 no
H6043 2_765 C603 H6033 . 137.3 no
C602 . C603 H6033 . 99.4 no
H6012 2_765 C603 H6033 . 105.8 no
C601 2_765 C603 H6033 . 79.4 no
H6031 . C603 H6032 . 80.0 no
H6031 . C603 H6033 . 109.4 no
H6032 . C603 H6033 . 117.7 no
H6031 2_765 C604 H6033 2_765 114.4 no
H6031 2_765 C604 C601 . 131.3 no
H6033 2_765 C604 C601 . 70.7 no
H6031 2_765 C604 H6022 2_765 129.3 no
H6033 2_765 C604 H6022 2_765 112.8 no
C601 . C604 H6022 2_765 81.5 no
H6031 2_765 C604 C602 2_765 121.5 no
H6033 2_765 C604 C602 2_765 111.7 no
C601 . C604 C602 2_765 43.70(5) yes
H6022 2_765 C604 C602 2_765 51.7 no
H6031 2_765 C604 H6041 . 75.1 no
H6033 2_765 C604 H6041 . 40.3 no
C601 . C604 H6041 . 102.7 no
H6022 2_765 C604 H6041 . 143.1 no
C602 2_765 C604 H6041 . 146.2 no
H6031 2_765 C604 H6042 . 88.4 no
H6033 2_765 C604 H6042 . 89.8 no
C601 . C604 H6042 . 139.9 no
H6022 2_765 C604 H6042 . 74.3 no
C602 2_765 C604 H6042 . 125.9 no
H6031 2_765 C604 H6043 . 42.2 no
H6033 2_765 C604 H6043 . 137.8 no
C601 . C604 H6043 . 99.5 no
H6022 2_765 C604 H6043 . 105.8 no
C602 2_765 C604 H6043 . 79.3 no
H6041 . C604 H6042 . 80.2 no
H6041 . C604 H6043 . 109.5 no
H6042 . C604 H6043 . 117.4 no
H5033 2_466 C504 H5031 2_466 69.8 no
H5033 2_466 C504 C502 2_466 120.6 no
H5031 2_466 C504 C502 2_466 99.1 no
H5033 2_466 C504 H5032 2_466 80.9 no
H5031 2_466 C504 H5032 2_466 75.8 no
C502 2_466 C504 H5032 2_466 155.2 no
H5033 2_466 C504 C501 . 115.2 no
H5031 2_466 C504 C501 . 147.4 no
C502 2_466 C504 C501 . 49.52(5) yes
H5032 2_466 C504 C501 . 136.0 no
H5033 2_466 C504 H5041 . 38.9 no
H5031 2_466 C504 H5041 . 91.9 no
C502 2_466 C504 H5041 . 150.1 no
H5032 2_466 C504 H5041 . 54.6 no
C501 . C504 H5041 . 111.9 no
H5033 2_466 C504 H5042 . 31.9 no
H5031 2_466 C504 H5042 . 42.7 no
C502 2_466 C504 H5042 . 102.7 no
H5032 2_466 C504 H5042 . 90.0 no
C501 . C504 H5042 . 126.0 no
H5033 2_466 C504 H5043 . 88.6 no
H5031 2_466 C504 H5043 . 41.3 no
C502 2_466 C504 H5043 . 121.5 no
H5032 2_466 C504 H5043 . 41.0 no
C501 . C504 H5043 . 156.0 no
H5041 . C504 H5042 . 67.6 no
H5041 . C504 H5043 . 84.6 no
H5042 . C504 H5043 . 75.6 no
H5043 2_466 C503 H5041 2_466 73.0 no
H5043 2_466 C503 C501 2_466 123.1 no
H5041 2_466 C503 C501 2_466 102.9 no
H5043 2_466 C503 H5042 2_466 80.6 no
H5041 2_466 C503 H5042 2_466 77.6 no
C501 2_466 C503 H5042 2_466 155.7 no
H5043 2_466 C503 C502 . 113.4 no
H5041 2_466 C503 C502 . 151.6 no
C501 2_466 C503 C502 . 49.52(5) yes
H5042 2_466 C503 C502 . 130.1 no
H5043 2_466 C503 H5031 . 39.0 no
H5041 2_466 C503 H5031 . 93.3 no
C501 2_466 C503 H5031 . 150.2 no
H5042 2_466 C503 H5031 . 52.2 no
C502 . C503 H5031 . 108.8 no
H5043 2_466 C503 H5032 . 32.5 no
H5041 2_466 C503 H5032 . 45.3 no
C501 2_466 C503 H5032 . 106.8 no
H5042 2_466 C503 H5032 . 90.9 no
C502 . C503 H5032 . 127.3 no
H5043 2_466 C503 H5033 . 89.8 no
H5041 2_466 C503 H5033 . 42.5 no
C501 2_466 C503 H5033 . 125.8 no
H5042 2_466 C503 H5033 . 41.0 no
C502 . C503 H5033 . 154.8 no
H5031 . C503 H5032 . 67.8 no
H5031 . C503 H5033 . 82.8 no
H5032 . C503 H5033 . 77.6 no
C604 2_765 H6031 C603 . 38.2 no
C604 2_765 H6031 H6043 2_765 66.9 no
C603 . H6031 H6043 2_765 63.7 no
C604 2_765 H6033 C603 . 40.5 no
C604 2_765 H6033 H6041 2_765 76.2 no
C603 . H6033 H6041 2_765 70.7 no
C602 . H6022 C604 2_765 62.4 no
C601 . H6012 C603 2_765 62.4 no
C603 2_765 H6041 C604 . 38.1 no
C603 2_765 H6041 H6033 2_765 67.1 no
C604 . H6041 H6033 2_765 63.5 no
C603 2_765 H6043 C604 . 40.6 no
C603 2_765 H6043 H6031 2_765 76.1 no
C604 . H6043 H6031 2_765 70.9 no
C504 2_466 H5031 H5043 2_466 60.4 no
C504 2_466 H5031 C503 . 22.2 no
H5043 2_466 H5031 C503 . 82.0 no
H5043 2_466 H5032 C503 . 69.9 no
H5043 2_466 H5032 C504 2_466 73.6 no
C503 . H5032 C504 2_466 16.2 no
H5042 2_466 H5033 C504 2_466 78.0 no
H5042 2_466 H5033 H5041 2_466 126.3 no
C504 2_466 H5033 H5041 2_466 58.3 no
H5042 2_466 H5033 C503 . 66.0 no
C504 2_466 H5033 C503 . 19.2 no
H5041 2_466 H5033 C503 . 76.8 no
H5033 2_466 H5041 C503 2_466 60.7 no
H5033 2_466 H5041 C504 . 82.8 no
C503 2_466 H5041 C504 . 22.7 no
H5033 2_466 H5042 C504 . 70.2 no
H5033 2_466 H5042 C503 2_466 73.0 no
C504 . H5042 C503 2_466 15.3 no
H5032 2_466 H5043 C503 2_466 77.6 no
H5032 2_466 H5043 H5031 2_466 125.3 no
C503 2_466 H5043 H5031 2_466 59.0 no
H5032 2_466 H5043 C504 . 65.4 no
C503 2_466 H5043 C504 . 19.9 no
H5031 2_466 H5043 C504 . 78.3 no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
F1 C22 . 1.334(6) yes
F2 C22 . 1.326(6) yes
F3 C22 . 1.349(6) yes
F4 C21 . 1.334(7) yes
F5 C21 . 1.343(6) yes
F6 C21 . 1.336(6) yes
F7 C37 . 1.308(8) yes
F8 C37 . 1.325(8) yes
F9 C37 . 1.329(8) yes
F13 C30 . 1.323(6) yes
F14 C30 . 1.335(7) yes
F15 C30 . 1.318(6) yes
F16 C29 . 1.333(6) yes
F17 C29 . 1.341(7) yes
F18 C29 . 1.329(7) yes
F22 C45 . 1.330(7) yes
F23 C45 . 1.336(7) yes
F24 C45 . 1.340(7) yes
F25 C121 . 1.332(7) yes
F26 C121 . 1.328(6) yes
F27 C121 . 1.326(7) yes
F28 C122 . 1.320(7) yes
F29 C122 . 1.334(7) yes
F30 C122 . 1.326(7) yes
F31 C130 . 1.325(7) yes
F32 C130 . 1.286(7) yes
F33 C130 . 1.331(7) yes
F46 C146 . 1.327(7) yes
F47 C146 . 1.350(7) yes
F48 C146 . 1.306(7) yes
C15 C16 . 1.406(7) yes
C15 C20 . 1.424(7) yes
C15 Rh1 . 2.456(5) yes
C15 B1 . 1.654(7) yes
C16 C17 . 1.417(7) yes
C16 Rh1 . 2.314(5) yes
C16 H161 . 0.978 no
C17 C18 . 1.416(7) yes
C17 C21 . 1.491(7) yes
C17 Rh1 . 2.296(5) yes
C18 C19 . 1.404(7) yes
C18 Rh1 . 2.360(5) yes
C18 H181 . 0.976 no
C19 C20 . 1.423(7) yes
C19 C22 . 1.513(7) yes
C19 Rh1 . 2.307(5) yes
C20 Rh1 . 2.322(5) yes
C20 H201 . 0.981 no
C23 C24 . 1.399(7) yes
C23 C28 . 1.405(7) yes
C23 B1 . 1.637(7) yes
C24 C25 . 1.390(7) yes
C24 H241 . 0.931 no
C25 C26 . 1.391(7) yes
C25 C29 . 1.499(7) yes
C26 C27 . 1.380(7) yes
C26 H261 . 0.932 no
C27 C28 . 1.387(7) yes
C27 C30 . 1.490(7) yes
C28 H281 . 0.932 no
C31 C32 . 1.405(7) yes
C31 C36 . 1.398(7) yes
C31 B1 . 1.661(8) yes
C32 C33 . 1.388(7) yes
C32 H321 . 0.933 no
C33 C34 . 1.383(7) yes
C33 C38 . 1.528(3) yes
C34 C35 . 1.379(8) yes
C34 H341 . 0.934 no
C35 C36 . 1.393(7) yes
C35 C37 . 1.499(8) yes
C36 H361 . 0.930 no
C38 F120 . 1.332(4) yes
C38 F100 . 1.324(4) yes
C38 F111 . 1.332(4) yes
C38 F121 . 1.331(6) yes
C38 F101 . 1.328(6) yes
C38 F110 . 1.335(6) yes
C39 C40 . 1.398(7) yes
C39 C44 . 1.396(7) yes
C39 B1 . 1.643(7) yes
C40 C41 . 1.405(7) yes
C40 H401 . 0.929 no
C41 C42 . 1.380(8) yes
C41 C45 . 1.487(8) yes
C42 C43 . 1.388(7) yes
C42 H421 . 0.917 no
C43 C44 . 1.395(7) yes
C43 C46 . 1.481(8) yes
C44 H441 . 0.934 no
C46 F20 . 1.311(6) yes
C46 F19 . 1.329(7) yes
C46 F21 . 1.318(7) yes
C115 C116 . 1.415(7) yes
C115 C120 . 1.417(7) yes
C115 Rh2 . 2.453(5) yes
C115 B101 . 1.649(7) yes
C116 C117 . 1.412(7) yes
C116 Rh2 . 2.325(5) yes
C116 H1161 . 0.980 no
C117 C118 . 1.412(7) yes
C117 C122 . 1.503(7) yes
C117 Rh2 . 2.293(5) yes
C118 C119 . 1.392(7) yes
C118 Rh2 . 2.355(5) yes
C118 H1181 . 0.967 no
C119 C120 . 1.420(7) yes
C119 C121 . 1.501(7) yes
C119 Rh2 . 2.283(5) yes
C120 Rh2 . 2.315(5) yes
C120 H1201 . 0.972 no
C123 C124 . 1.390(7) yes
C123 C128 . 1.393(7) yes
C123 B101 . 1.652(8) yes
C124 C125 . 1.373(7) yes
C124 H1241 . 0.924 no
C125 C126 . 1.388(7) yes
C125 C129 . 1.484(3) yes
C126 C127 . 1.377(7) yes
C126 H1261 . 0.924 no
C127 C128 . 1.387(7) yes
C127 C130 . 1.500(8) yes
C128 H1281 . 0.933 no
C129 F340 . 1.326(5) yes
C129 F350 . 1.325(5) yes
C129 F360 . 1.329(5) yes
C129 F341 . 1.330(5) yes
C129 F351 . 1.326(5) yes
C129 F361 . 1.334(5) yes
C131 C132 . 1.403(7) yes
C131 C136 . 1.400(7) yes
C131 B101 . 1.650(7) yes
C132 C133 . 1.377(7) yes
C132 H1321 . 0.927 no
C133 C134 . 1.400(7) yes
C133 C137 . 1.480(3) yes
C134 C135 . 1.398(7) yes
C134 H1341 . 0.930 no
C135 C136 . 1.369(7) yes
C135 C138 . 1.522(3) yes
C136 H1361 . 0.930 no
C137 F391 . 1.343(5) yes
C137 F380 . 1.335(5) yes
C137 F370 . 1.335(5) yes
C137 F390 . 1.345(5) yes
C137 F381 . 1.335(5) yes
C137 F371 . 1.341(5) yes
C138 F410 . 1.306(5) yes
C138 F421 . 1.319(5) yes
C138 F401 . 1.310(5) yes
C138 F411 . 1.318(5) yes
C138 F420 . 1.305(5) yes
C138 F400 . 1.320(5) yes
C139 C140 . 1.397(7) yes
C139 C144 . 1.399(7) yes
C139 B101 . 1.643(7) yes
C140 C141 . 1.390(6) yes
C140 H1401 . 0.930 no
C141 C142 . 1.397(7) yes
C141 C145 . 1.492(3) yes
C142 C143 . 1.385(8) yes
C142 H1421 . 0.928 no
C143 C144 . 1.403(7) yes
C143 C146 . 1.485(8) yes
C144 H1441 . 0.932 no
C145 F431 . 1.316(4) yes
C145 F451 . 1.314(4) yes
C145 F440 . 1.324(4) yes
C145 F430 . 1.329(5) yes
C145 F450 . 1.314(6) yes
C145 F441 . 1.319(5) yes
C1 C2 . 1.498(9) yes
C1 C3 . 1.518(9) yes
C1 O2 . 1.458(6) yes
C1 H11 . 0.986 no
C2 H22 . 0.970 no
C2 H21 . 0.960 no
C2 H23 . 0.960 no
C3 H33 . 0.969 no
C3 H31 . 0.957 no
C3 H32 . 0.958 no
C4 C5 . 1.503(9) yes
C4 C6 . 1.521(9) yes
C4 O1 . 1.465(6) yes
C4 H41 . 0.971 no
C5 H51 . 0.958 no
C5 H52 . 0.960 no
C5 H53 . 0.961 no
C6 H62 . 0.960 no
C6 H63 . 0.959 no
C6 H61 . 0.962 no
C7 C8 . 1.507(10) yes
C7 C9 . 1.512(11) yes
C7 O3 . 1.450(7) yes
C7 H71 . 0.975 no
C8 H83 . 0.962 no
C8 H81 . 0.960 no
C8 H82 . 0.951 no
C9 H91 . 0.961 no
C9 H92 . 0.956 no
C9 H93 . 0.956 no
C10 C11 . 1.500(10) yes
C10 C12 . 1.510(10) yes
C10 O4 . 1.473(6) yes
C10 H101 . 0.979 no
C11 H112 . 0.969 no
C11 H113 . 0.967 no
C11 H111 . 0.960 no
C12 H121 . 0.953 no
C12 H123 . 0.964 no
C12 H122 . 0.955 no
C13 C14 . 1.539(8) yes
C13 P2 . 1.814(6) yes
C13 H132 . 0.973 no
C13 H131 . 0.967 no
C14 P1 . 1.826(5) yes
C14 H141 . 0.979 no
C14 H142 . 0.976 no
C101 C102 . 1.522(10) yes
C101 C103 . 1.508(11) yes
C101 O101 . 1.468(7) yes
C101 H1011 . 0.985 no
C102 H1022 . 0.966 no
C102 H1023 . 0.959 no
C102 H1021 . 0.959 no
C103 H1031 . 0.961 no
C103 H1033 . 0.962 no
C103 H1032 . 0.954 no
C104 C105 . 1.501(10) yes
C104 C106 . 1.516(10) yes
C104 O102 . 1.470(7) yes
C104 H1041 . 0.983 no
C105 H1051 . 0.965 no
C105 H1052 . 0.958 no
C105 H1053 . 0.963 no
C106 H1063 . 0.965 no
C106 H1061 . 0.967 no
C106 H1062 . 0.962 no
C107 C108 . 1.495(11) yes
C107 C109 . 1.514(10) yes
C107 O103 . 1.457(7) yes
C107 H1071 . 0.992 no
C108 H1081 . 0.965 no
C108 H1083 . 0.957 no
C108 H1082 . 0.967 no
C109 H1092 . 0.966 no
C109 H1091 . 0.963 no
C109 H1093 . 0.969 no
C110 C111 . 1.507(11) yes
C110 C112 . 1.518(11) yes
C110 O104 . 1.434(8) yes
C110 H1101 . 0.973 no
C111 H1113 . 0.959 no
C111 H1111 . 0.964 no
C111 H1112 . 0.962 no
C112 H1121 . 0.966 no
C112 H1122 . 0.960 no
C112 H1123 . 0.961 no
C113 C114 . 1.533(8) yes
C113 P102 . 1.843(6) yes
C113 H1131 . 0.975 no
C113 H1132 . 0.975 no
C114 P101 . 1.817(6) yes
C114 H1141 . 0.965 no
C114 H1142 . 0.976 no
O1 P1 . 1.580(4) yes
O2 P1 . 1.593(4) yes
O3 P2 . 1.600(4) yes
O4 P2 . 1.595(4) yes
O101 P101 . 1.586(4) yes
O102 P101 . 1.588(4) yes
O103 P102 . 1.596(4) yes
O104 P102 . 1.581(4) yes
P1 Rh1 . 2.2103(14) yes
P2 Rh1 . 2.2075(14) yes
P101 Rh2 . 2.2018(15) yes
P102 Rh2 . 2.2057(16) yes
C500 H5002 2_466 0.961 no
C500 H5001 2_466 0.961 no
C500 C501 2_466 1.375(2) yes
C500 C502 2_466 1.375(2) yes
C500 C502 . 1.375(2) yes
C500 C501 . 1.375(2) yes
C500 H5001 . 0.961 no
C500 H5002 . 0.961 no
C600 C602 2_765 1.418(3) yes
C600 C601 2_765 1.418(3) yes
C600 H6001 2_765 0.959 no
C600 H6002 2_765 0.959 no
C600 C601 . 1.418(3) yes
C600 C602 . 1.418(3) yes
C600 H6001 . 0.959 no
C600 H6002 . 0.959 no
C601 C603 2_765 1.214(2) yes
C601 C602 2_765 0.9879(17) yes
C601 C604 . 1.400(3) yes
C601 H6011 . 1.028 no
C601 H6012 . 1.073 no
C602 C604 2_765 1.213(2) yes
C602 C603 . 1.400(3) yes
C602 H6021 . 1.026 no
C602 H6022 . 1.074 no
C502 C504 2_466 1.381(3) yes
C502 C501 2_466 1.1297(19) yes
C502 C503 . 1.312(3) yes
C502 H5021 . 0.955 no
C502 H5022 . 0.976 no
C501 C503 2_466 1.381(3) yes
C501 C504 . 1.312(3) yes
C501 H5011 . 0.948 no
C501 H5012 . 0.974 no
C603 H6041 2_765 1.067 no
C603 H6043 2_765 1.052 no
C603 H6012 2_765 1.252 no
C603 H6031 . 1.139 no
C603 H6032 . 1.083 no
C603 H6033 . 1.041 no
C604 H6031 2_765 1.066 no
C604 H6033 2_765 1.052 no
C604 H6022 2_765 1.249 no
C604 H6041 . 1.142 no
C604 H6042 . 1.082 no
C604 H6043 . 1.038 no
C504 H5033 2_466 1.118 no
C504 H5031 2_466 1.045 no
C504 H5032 2_466 0.880 no
C504 H5041 . 0.959 no
C504 H5042 . 1.162 no
C504 H5043 . 0.928 no
C503 H5043 2_466 1.109 no
C503 H5041 2_466 1.021 no
C503 H5042 2_466 0.873 no
C503 H5031 . 0.960 no
C503 H5032 . 1.153 no
C503 H5033 . 0.914 no
H6031 H6043 2_765 0.758 no
H6033 H6041 2_765 0.760 no
H5031 H5043 2_466 0.704 no
H5032 H5043 2_466 0.635 no
H5033 H5042 2_466 0.627 no
H5033 H5041 2_466 0.708 no
#BEGIN Loops that were not found in dictionaries:
loop_
_oxford_refln_omitted_index_h
_oxford_refln_omitted_index_k
_oxford_refln_omitted_index_l
_oxford_refln_omitted_flag
-5 18 6 x
-2 3 0 x
1 -5 1 x
#END Loops that were not found in dictionaries
