#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/18/7021813.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_7021813
loop_
_publ_author_name
'Pike, Sebastian D.'
'Weller, Andrew S.'
_publ_section_title
;
 C-Cl activation of the weakly coordinating anion [B(3,5-Cl2C6H3)4](-) at
 a Rh(i) centre in solution and the solid-state.
;
_journal_issue                   36
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12832
_journal_page_last               12835
_journal_paper_doi               10.1039/c3dt51617b
_journal_volume                  42
_journal_year                    2013
_chemical_compound_source        'Lab S10'
_chemical_formula_moiety         'C57.13 H59.27 B1 Br1 Cl2.27 F24 P2 Rh1'
_chemical_formula_sum            'C57.13 H59.27 B Br Cl2.27 F24 P2 Rh'
_chemical_formula_weight         1537.98
_chemical_melting_point          ?
_chemical_name_systematic        '[Rh(dibpe)Br(C6H5)]2[BArF4]2'
_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             13-07-08
_audit_creation_method           CRYSTALS_ver_14.40
_cell_angle_alpha                73.8487(16)
_cell_angle_beta                 88.5368(15)
_cell_angle_gamma                87.5505(11)
_cell_formula_units_Z            2
_cell_length_a                   13.4344(4)
_cell_length_b                   16.2486(5)
_cell_length_c                   16.3500(5)
_cell_measurement_reflns_used    14578
_cell_measurement_temperature    150
_cell_measurement_theta_max      27
_cell_measurement_theta_min      5
_cell_volume                     3424.70(18)
_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 0.992
_diffrn_measured_fraction_theta_max 0.988
_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  0.066
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            27223
_diffrn_reflns_theta_full        25.856
_diffrn_reflns_theta_max         27.507
_diffrn_reflns_theta_min         5.120
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.068
_exptl_absorpt_correction_T_max  0.85
_exptl_absorpt_correction_T_min  0.75
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'DENZO/SCALEPACK (Otwinowski & Minor, 1997)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.491
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1543.335
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.150
_refine_diff_density_max         0.91
_refine_diff_density_min         -1.08
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_ref   0.9485
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     886
_refine_ls_number_reflns         10296
_refine_ls_number_restraints     569
_refine_ls_R_factor_all          0.0826
_refine_ls_R_factor_gt           0.0606
_refine_ls_shift/su_max          0.0347177
_refine_ls_shift/su_mean         0.0004073
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 Method= Modified Sheldrick 
 w=1/[σ²(F²) + ( 0.06P)² +16.36P] 
 ,where P=(max(Fo²,0) + 2Fc²)/3 
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1498
_refine_ls_wR_factor_gt          0.1369
_refine_ls_wR_factor_ref         0.1498
_reflns_limit_h_max              17
_reflns_limit_h_min              -17
_reflns_limit_k_max              21
_reflns_limit_k_min              -19
_reflns_limit_l_max              21
_reflns_limit_l_min              0
_reflns_number_gt                7971
_reflns_number_total             15564
_reflns_threshold_expression     I>2.0σ(I)
_oxford_diffrn_Wilson_B_factor   2.63
_oxford_diffrn_Wilson_scale      100.63
_oxford_refine_ls_r_factor_ref   0.0826
_oxford_refine_ls_scale          0.15277(8)
_oxford_reflns_number_all        10296
_oxford_reflns_threshold_expression_ref I>-3.0\s(I)
_oxford_structure_analysis_title 053SDP12
_cod_data_source_file            c3dt51617b.txt
_cod_data_source_block           compound6
_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/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C57.13 H59.27 B1 Br1 Cl2.27 F24 P2 Rh1'
_cod_database_code               7021813
#BEGIN Tags that were not found in dictionaries:
_iucr_refine_instruction_details_constraints
;
BLOCK SCALE X'S, U'S 
RIDE C(100,U'S) C(150,U'S) 
RIDE C   (   2,X'S) H   (  21,X'S) 
RIDE C   (   3,X'S) H   (  31,X'S) 
RIDE C   (   4,X'S) H   (  41,X'S) 
RIDE C   (   5,X'S) H   (  51,X'S) 
RIDE C   (   6,X'S) H   (  61,X'S) 
RIDE C   (   7,X'S) H   (  72,X'S) H   (  71,X'S) 
RIDE C   (   8,X'S) H   (  81,X'S) H   (  82,X'S) 
RIDE C   (   9,X'S) H   (  92,X'S) H   (  91,X'S) 
RIDE C   (  10,X'S) H   ( 101,X'S) 
RIDE C   (  11,X'S) H   ( 113,X'S) H   ( 112,X'S) H   ( 111,X'S) 
RIDE C   (  12,X'S) H   ( 121,X'S) H   ( 122,X'S) H   ( 123,X'S) 
RIDE C   (  13,X'S) H   ( 132,X'S) H   ( 131,X'S) 
RIDE C   (  14,X'S) H   ( 141,X'S) 
RIDE C   (  15,X'S) H   ( 152,X'S) H   ( 151,X'S) H   ( 153,X'S) 
RIDE C   (  16,X'S) H   ( 163,X'S) H   ( 162,X'S) H   ( 161,X'S) 
RIDE C   (  17,X'S) H   ( 172,X'S) H   ( 171,X'S) 
RIDE C   (  18,X'S) H   ( 181,X'S) 
RIDE C   (  19,X'S) H   ( 191,X'S) H   ( 192,X'S) H   ( 193,X'S) 
RIDE C   (  20,X'S) H   ( 203,X'S) H   ( 202,X'S) H   ( 201,X'S) 
RIDE C   (  21,X'S) H   ( 212,X'S) H   ( 211,X'S) 
RIDE C   (  22,X'S) H   ( 221,X'S) 
RIDE C   (  23,X'S) H   ( 231,X'S) H   ( 233,X'S) H   ( 232,X'S) 
RIDE C   (  24,X'S) H   ( 241,X'S) H   ( 243,X'S) H   ( 242,X'S) 
RIDE C   (  26,X'S) H   ( 261,X'S) 
RIDE C   (  28,X'S) H   ( 281,X'S) 
RIDE C   (  30,X'S) H   ( 301,X'S) 
RIDE C   (  34,X'S) H   ( 341,X'S) 
RIDE C   (  36,X'S) H   ( 361,X'S) 
RIDE C   (  38,X'S) H   ( 381,X'S) 
RIDE C   (  42,X'S) H   ( 421,X'S) 
RIDE C   (  44,X'S) H   ( 441,X'S) 
RIDE C   (  46,X'S) H   ( 461,X'S) 
RIDE C   (  50,X'S) H   ( 501,X'S) 
RIDE C   (  52,X'S) H   ( 521,X'S) 
RIDE C   (  54,X'S) H   ( 541,X'S) 
RIDE C   ( 100,X'S) H   (1001,X'S) H   (1002,X'S) 
RIDE C   ( 150,X'S) H   (1502,X'S) H   (1501,X'S) 
RIDE C   ( 200,X'S) H   (2001,X'S) H   (2002,X'S) 
END                                                                             
;
_iucr_refine_instruction_details_restraints
;
NO 
REM   HREST   START (DO NOT REMOVE THIS LINE) 
SAME C(53) C(56) F(220) F(230) F(241) AND 
CONT C(53) C(56) F(230) F(241) F(220) AND 
CONT C(53) C(56) F(241) F(220) F(230) AND 
CONT C(53) C(56) F(221) F(231) F(240) AND 
CONT C(53) C(56) F(231) F(240) F(221) AND 
CONT C(53) C(56) F(240) F(221) F(231) 
DELU 0.015 C(53) C(56) F(220) F(230) F(241) AND 
CONT C(53) C(56) F(230) F(241) F(220) AND 
CONT C(53) C(56) F(241) F(220) F(230) AND 
CONT C(53) C(56) F(221) F(231) F(240) AND 
CONT C(53) C(56) F(231) F(240) F(221) AND 
CONT C(53) C(56) F(240) F(221) F(231) 
SIMU 0.015 C(53) C(56) F(220) F(230) F(241) AND 
CONT C(53) C(56) F(230) F(241) F(220) AND 
CONT C(53) C(56) F(241) F(220) F(230) AND 
CONT C(53) C(56) F(221) F(231) F(240) AND 
CONT C(53) C(56) F(231) F(240) F(221) AND 
CONT C(53) C(56) F(240) F(221) F(231) 
SAME C(43) C(47) F(71) F(81) F(90) AND 
CONT C(43) C(47) F(81) F(90) F(71) AND 
CONT C(43) C(47) F(90) F(71) F(81) AND 
CONT C(43) C(47) F(70) F(80) F(91) AND 
CONT C(43) C(47) F(80) F(91) F(70) AND 
CONT C(43) C(47) F(91) F(70) F(80) 
DELU 0.015 C(43) C(47) F(71) F(81) F(90) AND 
CONT C(43) C(47) F(81) F(90) F(71) AND 
CONT C(43) C(47) F(90) F(71) F(81) AND 
CONT C(43) C(47) F(70) F(80) F(91) AND 
CONT C(43) C(47) F(80) F(91) F(70) AND 
CONT C(43) C(47) F(91) F(70) F(80) 
SIMU 0.015 C(43) C(47) F(71) F(81) F(90) AND 
CONT C(43) C(47) F(81) F(90) F(71) AND 
CONT C(43) C(47) F(90) F(71) F(81) AND 
CONT C(43) C(47) F(70) F(80) F(91) AND 
CONT C(43) C(47) F(80) F(91) F(70) AND 
CONT C(43) C(47) F(91) F(70) F(80) 
SAME CL(100) C(100) CL(101) AND 
CONT CL(100) C(150) CL(150) 
SAME CL(200) C(200) CL(201) AND 
CONT CL(201) C(200) CL(200) 
DELU 0.015 CL(100) C(100) CL(101) AND 
CONT CL(100) C(150) CL(150) 
DELU 0.015 CL(200) C(200) CL(201) AND 
CONT CL(201) C(200) CL(200) 
SIMU 0.01 CL(100) C(100) CL(101) AND 
CONT CL(100) C(150) CL(150) 
SIMU 0.005 CL(200) C(200) CL(201) AND 
CONT CL(201) C(200) CL(200) 
REM   HREST   END (DO NOT REMOVE THIS LINE) 
REM   DELU   START (DO NOT REMOVE THIS LINE) 
VIBR .0, 0.00200 = CL(100) TO C(150) 
VIBR .0, 0.00200 = CL(100) TO C(100) 
VIBR .0, 0.00200 = C(100) TO CL(101) 
VIBR .0, 0.00500 = CL(101) TO CL(100) 
VIBR .0, 0.00200 = C(150) TO CL(150) 
VIBR .0, 0.00500 = CL(150) TO CL(100) 
VIBR .0, 0.00200 = C(200) TO CL(200) 
VIBR .0, 0.00200 = C(200) TO CL(201) 
VIBR .0, 0.00500 = CL(201) TO CL(200) 
REM   DELU   END (DO NOT REMOVE THIS LINE) 
REM   THERMSIM   START (DO NOT REMOVE THIS LINE) 
U(IJ) .0, 0.04000 = CL(100) TO C(150) 
U(IJ) .0, 0.04000 = CL(100) TO C(100) 
U(IJ) .0, 0.08000 = C(100) TO CL(101) 
U(IJ) .0, 0.08000 = C(150) TO CL(150) 
U(IJ) .0, 0.08000 = C(200) TO CL(200) 
U(IJ) .0, 0.08000 = C(200) TO CL(201) 
REM   THERMSIM   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_refinement_flags_adp
_atom_site_disorder_assembly
_atom_site_disorder_group
F1 F 0.4327(4) 0.9732(3) 0.4225(3) 0.0790 1.0000 Uani . . . .
F2 F 0.5882(3) 0.9417(3) 0.4385(3) 0.0693 1.0000 Uani . . . .
F3 F 0.4837(4) 0.8425(3) 0.4708(2) 0.0750 1.0000 Uani . . . .
F4 F 0.5787(5) 1.1215(3) 0.1267(3) 0.0899 1.0000 Uani . . . .
F5 F 0.5917(4) 1.0465(3) 0.0388(3) 0.0734 1.0000 Uani . . . .
F6 F 0.4492(4) 1.0871(3) 0.0719(3) 0.0841 1.0000 Uani . . . .
F10 F 0.2209(3) 0.8262(4) -0.0309(3) 0.0841 1.0000 Uani . . . .
F11 F 0.1740(5) 0.9227(4) 0.0261(4) 0.1129 1.0000 Uani . . . .
F12 F 0.0800(3) 0.8188(4) 0.0317(3) 0.1038 1.0000 Uani . . . .
F13 F 0.3865(4) 0.4293(3) 0.4130(4) 0.0895 1.0000 Uani . . . .
F14 F 0.4758(4) 0.3830(3) 0.3254(3) 0.0857 1.0000 Uani . . . .
F15 F 0.5208(5) 0.3595(3) 0.4542(4) 0.1259 1.0000 Uani . . . .
F16 F 0.8441(4) 0.5992(4) 0.3599(3) 0.1025 1.0000 Uani . . . .
F17 F 0.7941(4) 0.5284(3) 0.4819(3) 0.0919 1.0000 Uani . . . .
F18 F 0.7708(4) 0.6628(3) 0.4428(3) 0.0864 1.0000 Uani . . . .
F19 F 0.8124(4) 0.8467(4) -0.0062(4) 0.1108 1.0000 Uani . . . .
F20 F 0.8635(3) 0.7293(4) 0.0717(3) 0.0807 1.0000 Uani . . . .
F21 F 0.8456(4) 0.7408(5) -0.0595(3) 0.1237 1.0000 Uani . . . .
C1 C 0.1006(4) 1.0232(4) 0.3197(4) 0.0348 1.0000 Uani . . . .
C2 C 0.1327(5) 1.0535(4) 0.2356(4) 0.0366 1.0000 Uani . . . .
C3 C 0.2078(5) 1.0111(5) 0.2022(4) 0.0457 1.0000 Uani . . . .
C4 C 0.2528(5) 0.9378(5) 0.2519(4) 0.0476 1.0000 Uani . . . .
C5 C 0.2226(5) 0.9060(5) 0.3349(4) 0.0484 1.0000 Uani . . . .
C6 C 0.1461(5) 0.9478(4) 0.3694(4) 0.0417 1.0000 Uani . . . .
C7 C -0.0365(5) 1.2557(4) 0.2233(4) 0.0405 1.0000 Uani . . . .
C8 C -0.0817(5) 1.1870(4) 0.1884(4) 0.0410 1.0000 Uani . . . .
C9 C 0.0021(5) 1.2743(4) 0.3916(4) 0.0362 1.0000 Uani . . . .
C10 C 0.0370(5) 1.3684(4) 0.3724(4) 0.0423 1.0000 Uani . . . .
C11 C 0.0025(6) 1.4025(5) 0.4461(5) 0.0535 1.0000 Uani . . . .
C12 C -0.0008(7) 1.4265(5) 0.2896(5) 0.0647 1.0000 Uani . . . .
C13 C 0.1672(4) 1.2303(4) 0.2856(4) 0.0391 1.0000 Uani . . . .
C14 C 0.2502(5) 1.1861(4) 0.3466(4) 0.0464 1.0000 Uani . . . .
C15 C 0.2637(5) 1.2281(5) 0.4174(5) 0.0566 1.0000 Uani . . . .
C16 C 0.3470(5) 1.1866(6) 0.2955(6) 0.0695 1.0000 Uani . . . .
C17 C -0.1069(5) 1.0083(4) 0.2125(4) 0.0409 1.0000 Uani . . . .
C18 C -0.1123(5) 0.9131(4) 0.2575(4) 0.0450 1.0000 Uani . . . .
C19 C -0.0895(8) 0.8633(6) 0.1905(6) 0.0840 1.0000 Uani . . . .
C20 C -0.2114(6) 0.8862(5) 0.3007(5) 0.0591 1.0000 Uani . . . .
C21 C -0.2392(4) 1.0988(4) 0.3008(4) 0.0404 1.0000 Uani . . . .
C22 C -0.2682(4) 1.1732(4) 0.3388(4) 0.0383 1.0000 Uani . . . .
C23 C -0.2307(5) 1.1560(4) 0.4279(4) 0.0435 1.0000 Uani . . . .
C24 C -0.3814(5) 1.1873(5) 0.3367(4) 0.0498 1.0000 Uani . . . .
C25 C 0.5161(4) 0.8221(4) 0.2234(3) 0.0288 1.0000 Uani . . . .
C26 C 0.5087(4) 0.8301(4) 0.3073(4) 0.0320 1.0000 Uani . . . .
C27 C 0.5115(4) 0.9100(4) 0.3239(4) 0.0355 1.0000 Uani . . . .
C28 C 0.5213(4) 0.9840(4) 0.2587(4) 0.0369 1.0000 Uani . . . .
C29 C 0.5303(4) 0.9779(4) 0.1762(4) 0.0352 1.0000 Uani . . . .
C30 C 0.5277(4) 0.8983(4) 0.1588(4) 0.0341 1.0000 Uani . . . .
C31 C 0.5039(5) 0.9158(4) 0.4134(4) 0.0456 1.0000 Uani . . . .
C32 C 0.5381(6) 1.0571(4) 0.1048(4) 0.0501 1.0000 Uani . . . .
C33 C 0.5401(4) 0.6484(4) 0.2788(3) 0.0330 1.0000 Uani . . . .
C34 C 0.6297(5) 0.6529(4) 0.3178(4) 0.0371 1.0000 Uani . . . .
C35 C 0.6723(5) 0.5838(4) 0.3786(4) 0.0439 1.0000 Uani . . . .
C36 C 0.6251(6) 0.5068(4) 0.4036(4) 0.0489 1.0000 Uani . . . .
C37 C 0.5360(6) 0.4999(4) 0.3653(4) 0.0488 1.0000 Uani . . . .
C38 C 0.4948(5) 0.5692(4) 0.3032(4) 0.0429 1.0000 Uani . . . .
C39 C 0.7689(6) 0.5941(5) 0.4148(5) 0.0565 1.0000 Uani . . . .
C40 C 0.4799(7) 0.4182(5) 0.3896(5) 0.0653 1.0000 Uani . . . .
C41 C 0.3734(4) 0.7346(4) 0.1986(4) 0.0353 1.0000 Uani . . . .
C42 C 0.3116(5) 0.7031(4) 0.2699(4) 0.0428 1.0000 Uani . . . .
C43 C 0.2100(4) 0.7130(4) 0.2665(3) 0.0521 1.0000 Uani D . . .
C44 C 0.1622(5) 0.7531(5) 0.1907(4) 0.0514 1.0000 Uani . . . .
C45 C 0.2202(5) 0.7871(4) 0.1193(4) 0.0458 1.0000 Uani . . . .
C46 C 0.3242(5) 0.7783(4) 0.1241(4) 0.0387 1.0000 Uani . . . .
C47 C 0.1487(2) 0.6782(2) 0.34523(19) 0.0704 1.0000 Uani D . . .
C48 C 0.1739(6) 0.8381(6) 0.0371(5) 0.0647 1.0000 Uani . . . .
C49 C 0.5503(4) 0.7226(4) 0.1153(3) 0.0330 1.0000 Uani . . . .
C50 C 0.6480(5) 0.7467(4) 0.0944(4) 0.0366 1.0000 Uani . . . .
C51 C 0.6981(5) 0.7351(4) 0.0228(4) 0.0469 1.0000 Uani . . . .
C52 C 0.6509(5) 0.6991(5) -0.0326(4) 0.0503 1.0000 Uani . . . .
C53 C 0.5537(4) 0.6734(4) -0.0130(3) 0.0560 1.0000 Uani D . . .
C54 C 0.5054(5) 0.6848(4) 0.0584(4) 0.0431 1.0000 Uani . . . .
C55 C 0.8039(6) 0.7608(6) 0.0072(5) 0.0650 1.0000 Uani . . . .
C56 C 0.4994(3) 0.6394(3) -0.0744(2) 0.0766 1.0000 Uani D . . .
P1 P 0.03835(11) 1.20939(10) 0.31978(9) 0.0319 1.0000 Uani . . . .
P2 P -0.10864(11) 1.08764(10) 0.27174(10) 0.0338 1.0000 Uani . . . .
Rh1 Rh -0.00692(3) 1.07329(3) 0.38251(3) 0.0296 1.0000 Uani . . . .
Br1 Br -0.08657(4) 0.93559(4) 0.47740(4) 0.0351 1.0000 Uani . . . .
Cl100 Cl -0.2927(2) 1.40293(19) 0.2361(2) 0.0791 0.7042 Uani D U . .
B43 B 0.4954(5) 0.7311(4) 0.2041(4) 0.0344 1.0000 Uani . . . .
F240 F 0.4063(7) 0.6729(8) -0.0891(9) 0.0845 0.2964 Uani D . 1 2
F241 F 0.4604(6) 0.6999(4) -0.1374(4) 0.1055 0.7036 Uani D . 1 1
F230 F 0.4239(5) 0.5908(5) -0.0387(3) 0.0825 0.7036 Uani D . 1 1
F231 F 0.4900(11) 0.5555(4) -0.0485(6) 0.0928 0.2964 Uani D . 1 2
F220 F 0.5572(5) 0.5905(5) -0.1111(5) 0.1005 0.7036 Uani D . 1 1
F221 F 0.5436(8) 0.6549(10) -0.1504(5) 0.0865 0.2964 Uani D . 1 2
C100 C -0.2764(15) 1.5049(5) 0.1724(12) 0.0808 0.4070 Uani D U 2 2
C150 C -0.3053(7) 1.5058(10) 0.171(2) 0.0808 0.2972 Uani D U 2 1
Cl150 Cl -0.1904(6) 1.5533(5) 0.1565(7) 0.1010 0.2972 Uani D U 2 1
Cl101 Cl -0.1849(5) 1.5030(5) 0.0961(4) 0.1067 0.4070 Uani D U 2 2
H21 H 0.1034 1.1039 0.2010 0.0428 1.0000 Uiso R . . .
H31 H 0.2267 1.0326 0.1457 0.0552 1.0000 Uiso R . . .
H41 H 0.3028 0.9097 0.2298 0.0560 1.0000 Uiso R . . .
H51 H 0.2532 0.8566 0.3692 0.0569 1.0000 Uiso R . . .
H61 H 0.1245 0.9250 0.4263 0.0488 1.0000 Uiso R . . .
H72 H -0.0914 1.2900 0.2380 0.0478 1.0000 Uiso R . . .
H71 H 0.0050 1.2914 0.1792 0.0474 1.0000 Uiso R . . .
H81 H -0.1434 1.2099 0.1613 0.0492 1.0000 Uiso R . . .
H82 H -0.0376 1.1738 0.1458 0.0490 1.0000 Uiso R . . .
H92 H -0.0702 1.2775 0.3938 0.0441 1.0000 Uiso R . . .
H91 H 0.0254 1.2428 0.4475 0.0439 1.0000 Uiso R . . .
H101 H 0.1104 1.3669 0.3703 0.0497 1.0000 Uiso R . . .
H113 H 0.0240 1.4604 0.4364 0.0788 1.0000 Uiso R . . .
H112 H -0.0691 1.4024 0.4509 0.0787 1.0000 Uiso R . . .
H111 H 0.0303 1.3676 0.4984 0.0789 1.0000 Uiso R . . .
H121 H 0.0203 1.4850 0.2826 0.0949 1.0000 Uiso R . . .
H122 H -0.0726 1.4254 0.2891 0.0951 1.0000 Uiso R . . .
H123 H 0.0266 1.4063 0.2428 0.0949 1.0000 Uiso R . . .
H132 H 0.1746 1.2915 0.2717 0.0458 1.0000 Uiso R . . .
H131 H 0.1761 1.2125 0.2345 0.0460 1.0000 Uiso R . . .
H141 H 0.2329 1.1263 0.3725 0.0549 1.0000 Uiso R . . .
H152 H 0.3178 1.1992 0.4540 0.0831 1.0000 Uiso R . . .
H151 H 0.2809 1.2872 0.3923 0.0829 1.0000 Uiso R . . .
H153 H 0.2030 1.2271 0.4514 0.0828 1.0000 Uiso R . . .
H163 H 0.4001 1.1624 0.3334 0.1040 1.0000 Uiso R . . .
H162 H 0.3623 1.2448 0.2653 0.1039 1.0000 Uiso R . . .
H161 H 0.3405 1.1537 0.2550 0.1039 1.0000 Uiso R . . .
H172 H -0.1608 1.0237 0.1724 0.0490 1.0000 Uiso R . . .
H171 H -0.0441 1.0152 0.1812 0.0491 1.0000 Uiso R . . .
H181 H -0.0614 0.8988 0.3010 0.0550 1.0000 Uiso R . . .
H191 H -0.0888 0.8024 0.2186 0.1269 1.0000 Uiso R . . .
H192 H -0.0250 0.8789 0.1641 0.1269 1.0000 Uiso R . . .
H193 H -0.1407 0.8775 0.1474 0.1271 1.0000 Uiso R . . .
H203 H -0.2107 0.8247 0.3208 0.0870 1.0000 Uiso R . . .
H202 H -0.2217 0.9098 0.3476 0.0871 1.0000 Uiso R . . .
H201 H -0.2646 0.9060 0.2602 0.0868 1.0000 Uiso R . . .
H212 H -0.2762 1.1071 0.2491 0.0478 1.0000 Uiso R . . .
H211 H -0.2581 1.0461 0.3414 0.0479 1.0000 Uiso R . . .
H221 H -0.2383 1.2256 0.3029 0.0460 1.0000 Uiso R . . .
H231 H -0.2470 1.2044 0.4499 0.0648 1.0000 Uiso R . . .
H233 H -0.1590 1.1469 0.4287 0.0650 1.0000 Uiso R . . .
H232 H -0.2603 1.1055 0.4646 0.0648 1.0000 Uiso R . . .
H241 H -0.3973 1.2350 0.3597 0.0739 1.0000 Uiso R . . .
H243 H -0.4049 1.2016 0.2799 0.0741 1.0000 Uiso R . . .
H242 H -0.4123 1.1370 0.3706 0.0739 1.0000 Uiso R . . .
H261 H 0.5011 0.7808 0.3531 0.0377 1.0000 Uiso R . . .
H281 H 0.5231 1.0371 0.2700 0.0445 1.0000 Uiso R . . .
H301 H 0.5331 0.8963 0.1030 0.0409 1.0000 Uiso R . . .
H341 H 0.6627 0.7039 0.3022 0.0438 1.0000 Uiso R . . .
H361 H 0.6528 0.4611 0.4452 0.0589 1.0000 Uiso R . . .
H381 H 0.4360 0.5630 0.2784 0.0509 1.0000 Uiso R . . .
H421 H 0.3410 0.6749 0.3214 0.0498 1.0000 Uiso R . . .
H441 H 0.0932 0.7570 0.1880 0.0596 1.0000 Uiso R . . .
H461 H 0.3613 0.8036 0.0746 0.0447 1.0000 Uiso R . . .
H501 H 0.6819 0.7704 0.1302 0.0438 1.0000 Uiso R . . .
H521 H 0.6840 0.6910 -0.0807 0.0595 1.0000 Uiso R . . .
H541 H 0.4408 0.6657 0.0703 0.0515 1.0000 Uiso R . . .
H1001 H -0.2626 1.5427 0.2068 0.1329 0.4070 Uiso R . 2 2
H1002 H -0.3396 1.5214 0.1444 0.1329 0.4070 Uiso R . 2 2
H1502 H -0.3540 1.5409 0.1914 0.1330 0.2972 Uiso R . 2 1
H1501 H -0.3235 1.5028 0.1149 0.1330 0.2972 Uiso R . 2 1
C200 C -0.2258(7) 1.4484(19) -0.1023(9) 0.1441 0.4308 Uani D U . .
Cl200 Cl -0.1003(6) 1.4198(6) -0.0838(6) 0.1474 0.4308 Uani D U . .
Cl201 Cl -0.2528(6) 1.5163(6) -0.2027(6) 0.1414 0.4308 Uani D U . .
F80 F 0.0627(4) 0.7224(4) 0.3471(3) 0.0997 0.8483 Uani D . 3 2
F81 F 0.1271(18) 0.7351(6) 0.3883(10) 0.0791 0.1517 Uani D . 3 1
F90 F 0.0609(10) 0.6504(17) 0.3302(3) 0.0683 0.1517 Uani D . 3 1
F91 F 0.1233(5) 0.5981(3) 0.3561(3) 0.0931 0.8483 Uani D . 3 2
F70 F 0.1946(4) 0.6777(4) 0.4167(3) 0.0750 0.8483 Uani D . 3 2
F71 F 0.1926(10) 0.6119(12) 0.4011(8) 0.0872 0.1517 Uani D . 3 1
H2001 H -0.2509 1.4750 -0.0603 0.1379 0.4308 Uiso R . . .
H2002 H -0.2603 1.3970 -0.0982 0.1380 0.4308 Uiso R . . .
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'
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'
Br -0.2901 2.4595 17.1789 2.1723 5.2358 16.5796 5.6377 0.2609 3.9851 41.4328
2.9557 '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'
Cl 0.1484 0.1585 11.4604 0.0104 7.1964 1.1662 6.2556 18.5194 1.6455 47.7784
-9.5574 '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
_geom_angle_publ_flag
C2 . C1 C6 117.6(5) yes
C2 . C1 Rh1 128.8(5) yes
C6 . C1 Rh1 113.6(4) yes
C1 . C2 C3 121.5(6) yes
C1 . C2 H21 119.2 no
C3 . C2 H21 119.3 no
C2 . C3 C4 120.3(6) yes
C2 . C3 H31 119.2 no
C4 . C3 H31 120.5 no
C3 . C4 C5 119.7(6) yes
C3 . C4 H41 120.3 no
C5 . C4 H41 120.0 no
C4 . C5 C6 120.6(6) yes
C4 . C5 H51 120.1 no
C6 . C5 H51 119.3 no
C5 . C6 C1 120.2(6) yes
C5 . C6 H61 120.3 no
C1 . C6 H61 119.4 no
C8 . C7 P1 112.9(4) yes
C8 . C7 H72 107.4 no
P1 . C7 H72 108.3 no
C8 . C7 H71 108.9 no
P1 . C7 H71 109.4 no
H72 . C7 H71 109.9 no
C7 . C8 P2 113.3(4) yes
C7 . C8 H81 108.4 no
P2 . C8 H81 107.7 no
C7 . C8 H82 109.9 no
P2 . C8 H82 109.6 no
H81 . C8 H82 107.9 no
C10 . C9 P1 120.0(4) yes
C10 . C9 H92 106.6 no
P1 . C9 H92 107.1 no
C10 . C9 H91 108.1 no
P1 . C9 H91 106.5 no
H92 . C9 H91 108.1 no
C9 . C10 C11 107.6(5) yes
C9 . C10 C12 113.7(5) yes
C11 . C10 C12 110.4(6) yes
C9 . C10 H101 108.1 no
C11 . C10 H101 108.4 no
C12 . C10 H101 108.4 no
C10 . C11 H113 109.5 no
C10 . C11 H112 109.9 no
H113 . C11 H112 109.2 no
C10 . C11 H111 110.3 no
H113 . C11 H111 109.0 no
H112 . C11 H111 109.0 no
C10 . C12 H121 109.9 no
C10 . C12 H122 109.4 no
H121 . C12 H122 110.3 no
C10 . C12 H123 109.2 no
H121 . C12 H123 108.9 no
H122 . C12 H123 109.1 no
C14 . C13 P1 118.4(4) yes
C14 . C13 H132 108.6 no
P1 . C13 H132 107.3 no
C14 . C13 H131 107.5 no
P1 . C13 H131 106.0 no
H132 . C13 H131 108.7 no
C13 . C14 C15 112.5(6) yes
C13 . C14 C16 108.8(6) yes
C15 . C14 C16 110.4(6) yes
C13 . C14 H141 108.4 no
C15 . C14 H141 108.3 no
C16 . C14 H141 108.4 no
C14 . C15 H152 110.2 no
C14 . C15 H151 108.7 no
H152 . C15 H151 108.2 no
C14 . C15 H153 111.4 no
H152 . C15 H153 109.4 no
H151 . C15 H153 108.9 no
C14 . C16 H163 109.4 no
C14 . C16 H162 109.8 no
H163 . C16 H162 108.7 no
C14 . C16 H161 110.1 no
H163 . C16 H161 109.6 no
H162 . C16 H161 109.2 no
C18 . C17 P2 121.4(4) yes
C18 . C17 H172 107.8 no
P2 . C17 H172 107.3 no
C18 . C17 H171 106.0 no
P2 . C17 H171 105.0 no
H172 . C17 H171 108.9 no
C17 . C18 C19 107.8(6) yes
C17 . C18 C20 114.7(6) yes
C19 . C18 C20 109.1(6) yes
C17 . C18 H181 107.6 no
C19 . C18 H181 109.8 no
C20 . C18 H181 107.8 no
C18 . C19 H191 109.0 no
C18 . C19 H192 109.4 no
H191 . C19 H192 109.7 no
C18 . C19 H193 109.6 no
H191 . C19 H193 109.5 no
H192 . C19 H193 109.7 no
C18 . C20 H203 108.7 no
C18 . C20 H202 110.0 no
H203 . C20 H202 109.5 no
C18 . C20 H201 109.6 no
H203 . C20 H201 109.3 no
H202 . C20 H201 109.7 no
C22 . C21 P2 116.8(4) yes
C22 . C21 H212 107.9 no
P2 . C21 H212 106.1 no
C22 . C21 H211 108.0 no
P2 . C21 H211 108.4 no
H212 . C21 H211 109.4 no
C21 . C22 C23 111.2(5) yes
C21 . C22 C24 109.1(5) yes
C23 . C22 C24 110.9(5) yes
C21 . C22 H221 108.4 no
C23 . C22 H221 108.9 no
C24 . C22 H221 108.2 no
C22 . C23 H231 110.2 no
C22 . C23 H233 110.3 no
H231 . C23 H233 108.2 no
C22 . C23 H232 110.4 no
H231 . C23 H232 109.1 no
H233 . C23 H232 108.7 no
C22 . C24 H241 107.3 no
C22 . C24 H243 111.0 no
H241 . C24 H243 108.3 no
C22 . C24 H242 109.9 no
H241 . C24 H242 110.1 no
H243 . C24 H242 110.2 no
C26 . C25 C30 116.0(5) yes
C26 . C25 B43 120.7(5) yes
C30 . C25 B43 122.7(5) yes
C25 . C26 C27 121.6(5) yes
C25 . C26 H261 119.4 no
C27 . C26 H261 119.0 no
C26 . C27 C28 121.0(5) yes
C26 . C27 C31 120.1(5) yes
C28 . C27 C31 118.9(5) yes
C27 . C28 C29 118.6(6) yes
C27 . C28 H281 120.8 no
C29 . C28 H281 120.6 no
C28 . C29 C30 120.9(5) yes
C28 . C29 C32 119.5(5) yes
C30 . C29 C32 119.6(5) yes
C29 . C30 C25 121.9(5) yes
C29 . C30 H301 118.9 no
C25 . C30 H301 119.2 no
C27 . C31 F1 111.8(5) yes
C27 . C31 F2 112.1(5) yes
F1 . C31 F2 105.6(5) yes
C27 . C31 F3 114.5(5) yes
F1 . C31 F3 106.3(5) yes
F2 . C31 F3 105.9(6) yes
C29 . C32 F6 112.2(6) yes
C29 . C32 F4 113.6(5) yes
F6 . C32 F4 106.3(6) yes
C29 . C32 F5 113.9(6) yes
F6 . C32 F5 104.3(5) yes
F4 . C32 F5 105.8(6) yes
C34 . C33 C38 116.1(6) yes
C34 . C33 B43 120.8(5) yes
C38 . C33 B43 123.0(5) yes
C33 . C34 C35 122.9(6) yes
C33 . C34 H341 118.6 no
C35 . C34 H341 118.5 no
C34 . C35 C36 120.1(6) yes
C34 . C35 C39 118.9(6) yes
C36 . C35 C39 121.0(6) yes
C35 . C36 C37 118.5(6) yes
C35 . C36 H361 120.1 no
C37 . C36 H361 121.4 no
C36 . C37 C38 120.9(6) yes
C36 . C37 C40 121.5(7) yes
C38 . C37 C40 117.6(7) yes
C33 . C38 C37 121.5(6) yes
C33 . C38 H381 119.2 no
C37 . C38 H381 119.3 no
C35 . C39 F17 112.9(7) yes
C35 . C39 F16 113.1(6) yes
F17 . C39 F16 105.1(6) yes
C35 . C39 F18 113.4(6) yes
F17 . C39 F18 104.9(6) yes
F16 . C39 F18 106.7(7) yes
C37 . C40 F14 112.0(7) yes
C37 . C40 F15 112.5(7) yes
F14 . C40 F15 106.8(7) yes
C37 . C40 F13 113.1(6) yes
F14 . C40 F13 106.0(7) yes
F15 . C40 F13 105.8(7) yes
C42 . C41 C46 115.3(6) yes
C42 . C41 B43 122.7(5) yes
C46 . C41 B43 121.5(5) yes
C41 . C42 C43 122.5(6) yes
C41 . C42 H421 118.6 no
C43 . C42 H421 118.9 no
C42 . C43 C44 121.2(5) yes
C42 . C43 C47 119.6(4) yes
C44 . C43 C47 119.1(4) yes
C43 . C44 C45 118.2(6) yes
C43 . C44 H441 121.0 no
C45 . C44 H441 120.8 no
C44 . C45 C46 119.9(6) yes
C44 . C45 C48 121.1(6) yes
C46 . C45 C48 118.9(6) yes
C45 . C46 C41 122.7(6) yes
C45 . C46 H461 117.6 no
C41 . C46 H461 119.8 no
C43 . C47 F81 113.59(5) yes
C43 . C47 F90 113.56(5) yes
F81 . C47 F90 105.07(5) yes
C43 . C47 F71 113.58(5) yes
F81 . C47 F71 105.08(5) yes
F90 . C47 F71 105.07(5) yes
C43 . C47 F80 113.57(5) yes
C43 . C47 F91 113.56(5) yes
F80 . C47 F91 105.12(5) yes
C43 . C47 F70 113.58(5) yes
F80 . C47 F70 105.05(5) yes
F91 . C47 F70 105.06(5) yes
C45 . C48 F11 113.3(7) yes
C45 . C48 F12 112.1(7) yes
F11 . C48 F12 106.5(7) yes
C45 . C48 F10 113.1(7) yes
F11 . C48 F10 104.7(7) yes
F12 . C48 F10 106.6(6) yes
C50 . C49 C54 114.9(5) yes
C50 . C49 B43 122.0(5) yes
C54 . C49 B43 123.0(5) yes
C49 . C50 C51 123.1(6) yes
C49 . C50 H501 118.9 no
C51 . C50 H501 118.0 no
C50 . C51 C52 120.4(6) yes
C50 . C51 C55 119.1(6) yes
C52 . C51 C55 120.5(6) yes
C51 . C52 C53 118.0(6) yes
C51 . C52 H521 121.0 no
C53 . C52 H521 121.0 no
C52 . C53 C54 120.9(5) yes
C52 . C53 C56 118.9(4) yes
C54 . C53 C56 120.0(4) yes
C49 . C54 C53 122.7(6) yes
C49 . C54 H541 118.5 no
C53 . C54 H541 118.8 no
C51 . C55 F19 111.8(7) yes
C51 . C55 F21 113.3(7) yes
F19 . C55 F21 107.0(7) yes
C51 . C55 F20 115.1(6) yes
F19 . C55 F20 101.9(7) yes
F21 . C55 F20 106.8(7) yes
C53 . C56 F241 113.20(5) yes
C53 . C56 F230 113.23(5) yes
F241 . C56 F230 105.53(5) yes
C53 . C56 F220 113.18(5) yes
F241 . C56 F220 105.50(5) yes
F230 . C56 F220 105.45(5) yes
C53 . C56 F240 113.18(5) yes
C53 . C56 F231 113.22(5) yes
F240 . C56 F231 105.50(5) yes
C53 . C56 F221 113.22(5) yes
F240 . C56 F221 105.48(5) yes
F231 . C56 F221 105.51(5) yes
C7 . P1 C9 104.7(3) yes
C7 . P1 C13 105.2(3) yes
C9 . P1 C13 108.6(3) yes
C7 . P1 Rh1 109.7(2) yes
C9 . P1 Rh1 107.8(2) yes
C13 . P1 Rh1 119.9(2) yes
C8 . P2 C21 105.5(3) yes
C8 . P2 C17 102.6(3) yes
C21 . P2 C17 104.3(3) yes
C8 . P2 Rh1 109.6(2) yes
C21 . P2 Rh1 112.3(2) yes
C17 . P2 Rh1 121.2(2) yes
Br1 2_576 Rh1 C1 99.84(17) yes
Br1 2_576 Rh1 P1 93.27(4) yes
C1 . Rh1 P1 92.58(18) yes
Br1 2_576 Rh1 P2 171.02(5) yes
C1 . Rh1 P2 89.09(17) yes
P1 . Rh1 P2 87.23(6) yes
Br1 2_576 Rh1 Br1 82.20(2) yes
C1 . Rh1 Br1 101.47(17) yes
P1 . Rh1 Br1 165.77(4) yes
P2 . Rh1 Br1 95.16(5) yes
Rh1 2_576 Br1 Rh1 97.80(2) yes
C49 . B43 C33 104.9(5) yes
C49 . B43 C41 112.5(5) yes
C33 . B43 C41 113.4(5) yes
C49 . B43 C25 112.4(5) yes
C33 . B43 C25 112.1(5) yes
C41 . B43 C25 101.8(5) yes
Cl100 . C100 Cl101 109.63(10) yes
Cl100 . C100 H1001 110.1 no
Cl101 . C100 H1001 113.5 no
Cl100 . C100 H1002 104.2 no
Cl101 . C100 H1002 108.9 no
H1001 . C100 H1002 110.1 no
Cl100 . C150 Cl150 109.66(10) yes
Cl100 . C150 H1502 113.4 no
Cl150 . C150 H1502 110.3 no
Cl100 . C150 H1501 108.2 no
Cl150 . C150 H1501 105.1 no
H1502 . C150 H1501 109.9 no
Cl200 . C200 Cl201 115.45(7) yes
Cl200 . C200 H2001 109.3 no
Cl201 . C200 H2001 108.6 no
Cl200 . C200 H2002 107.6 no
Cl201 . C200 H2002 105.6 no
H2001 . C200 H2002 110.2 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 C31 . 1.342(7) yes
F2 C31 . 1.338(8) yes
F3 C31 . 1.329(8) yes
F4 C32 . 1.338(8) yes
F5 C32 . 1.330(8) yes
F6 C32 . 1.338(8) yes
F10 C48 . 1.322(9) yes
F11 C48 . 1.335(10) yes
F12 C48 . 1.324(9) yes
F13 C40 . 1.322(10) yes
F14 C40 . 1.330(9) yes
F15 C40 . 1.324(9) yes
F16 C39 . 1.324(9) yes
F17 C39 . 1.340(8) yes
F18 C39 . 1.321(8) yes
F19 C55 . 1.361(10) yes
F20 C55 . 1.313(9) yes
F21 C55 . 1.326(9) yes
C1 C2 . 1.389(8) yes
C1 C6 . 1.393(9) yes
C1 Rh1 . 2.023(6) yes
C2 C3 . 1.382(8) yes
C2 H21 . 0.934 no
C3 C4 . 1.367(9) yes
C3 H31 . 0.926 no
C4 C5 . 1.369(9) yes
C4 H41 . 0.919 no
C5 C6 . 1.399(9) yes
C5 H51 . 0.928 no
C6 H61 . 0.944 no
C7 C8 . 1.539(9) yes
C7 P1 . 1.850(6) yes
C7 H72 . 0.972 no
C7 H71 . 0.971 no
C8 P2 . 1.843(6) yes
C8 H81 . 0.960 no
C8 H82 . 0.966 no
C9 C10 . 1.562(8) yes
C9 P1 . 1.829(6) yes
C9 H92 . 0.970 no
C9 H91 . 0.967 no
C10 C11 . 1.516(9) yes
C10 C12 . 1.506(9) yes
C10 H101 . 0.985 no
C11 H113 . 0.964 no
C11 H112 . 0.963 no
C11 H111 . 0.959 no
C12 H121 . 0.978 no
C12 H122 . 0.966 no
C12 H123 . 0.971 no
C13 C14 . 1.530(9) yes
C13 P1 . 1.822(6) yes
C13 H132 . 0.965 no
C13 H131 . 0.960 no
C14 C15 . 1.518(9) yes
C14 C16 . 1.526(9) yes
C14 H141 . 0.981 no
C15 H152 . 0.972 no
C15 H151 . 0.969 no
C15 H153 . 0.974 no
C16 H163 . 0.955 no
C16 H162 . 0.966 no
C16 H161 . 0.967 no
C17 C18 . 1.520(9) yes
C17 P2 . 1.815(6) yes
C17 H172 . 0.966 no
C17 H171 . 0.970 no
C18 C19 . 1.550(9) yes
C18 C20 . 1.514(10) yes
C18 H181 . 0.973 no
C19 H191 . 0.968 no
C19 H192 . 0.970 no
C19 H193 . 0.971 no
C20 H203 . 0.960 no
C20 H202 . 0.953 no
C20 H201 . 0.968 no
C21 C22 . 1.537(8) yes
C21 P2 . 1.821(6) yes
C21 H212 . 0.966 no
C21 H211 . 0.965 no
C22 C23 . 1.501(9) yes
C22 C24 . 1.529(8) yes
C22 H221 . 0.984 no
C23 H231 . 0.967 no
C23 H233 . 0.968 no
C23 H232 . 0.966 no
C24 H241 . 0.964 no
C24 H243 . 0.952 no
C24 H242 . 0.956 no
C25 C26 . 1.414(8) yes
C25 C30 . 1.397(8) yes
C25 B43 . 1.633(8) yes
C26 C27 . 1.400(8) yes
C26 H261 . 0.939 no
C27 C28 . 1.376(8) yes
C27 C31 . 1.492(8) yes
C28 C29 . 1.383(8) yes
C28 H281 . 0.933 no
C29 C30 . 1.402(8) yes
C29 C32 . 1.482(9) yes
C30 H301 . 0.923 no
C33 C34 . 1.390(9) yes
C33 C38 . 1.399(9) yes
C33 B43 . 1.647(9) yes
C34 C35 . 1.389(9) yes
C34 H341 . 0.925 no
C35 C36 . 1.381(9) yes
C35 C39 . 1.473(10) yes
C36 C37 . 1.388(10) yes
C36 H361 . 0.928 no
C37 C38 . 1.393(9) yes
C37 C40 . 1.505(10) yes
C38 H381 . 0.920 no
C41 C42 . 1.401(8) yes
C41 C46 . 1.394(8) yes
C41 B43 . 1.642(9) yes
C42 C43 . 1.369(8) yes
C42 H421 . 0.929 no
C43 C44 . 1.388(8) yes
C43 C47 . 1.495(4) yes
C44 C45 . 1.381(9) yes
C44 H441 . 0.928 no
C45 C46 . 1.400(9) yes
C45 C48 . 1.503(10) yes
C46 H461 . 0.940 no
C47 F81 . 1.328(6) yes
C47 F90 . 1.334(6) yes
C47 F71 . 1.330(6) yes
C47 F80 . 1.339(4) yes
C47 F91 . 1.322(4) yes
C47 F70 . 1.332(4) yes
C49 C50 . 1.393(8) yes
C49 C54 . 1.410(8) yes
C49 B43 . 1.648(9) yes
C50 C51 . 1.389(8) yes
C50 H501 . 0.923 no
C51 C52 . 1.386(10) yes
C51 C55 . 1.494(11) yes
C52 C53 . 1.390(9) yes
C52 H521 . 0.933 no
C53 C54 . 1.374(8) yes
C53 C56 . 1.493(4) yes
C54 H541 . 0.932 no
C56 F241 . 1.313(5) yes
C56 F230 . 1.331(5) yes
C56 F220 . 1.335(5) yes
C56 F240 . 1.343(6) yes
C56 F231 . 1.321(6) yes
C56 F221 . 1.327(5) yes
P1 Rh1 . 2.2658(16) yes
P2 Rh1 . 2.2508(16) yes
Rh1 Br1 2_576 2.6062(7) yes
Rh1 Br1 . 2.5974(7) yes
Cl100 C150 . 1.718(8) yes
Cl100 C100 . 1.714(8) yes
C100 Cl101 . 1.734(8) yes
C100 H1001 . 0.967 no
C100 H1002 . 0.966 no
C150 Cl150 . 1.738(8) yes
C150 H1502 . 0.964 no
C150 H1501 . 0.969 no
C200 Cl200 . 1.740(7) yes
C200 Cl201 . 1.742(7) yes
C200 H2001 . 0.955 no
C200 H2002 . 0.959 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
-3 -2 1 x
-1 4 2 x
#END Loops that were not found in dictionaries
