#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/24/4082492.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_4082492
loop_
_publ_author_name
'Dixon, Lily S. H.'
'Hill, Anthony F.'
'Sinha, Arup'
'Ward, Jas S.'
_publ_section_title
;
 N-Heterocyclic Silyl Pincer Ligands
;
_journal_issue                   3
_journal_name_full               Organometallics
_journal_page_first              653
_journal_paper_doi               10.1021/om400792j
_journal_volume                  33
_journal_year                    2014
_chemical_compound_source        'Research School of Chemistry'
_chemical_formula_moiety         'C56 H49 Cl1 N2 P3 Rh1 Si1, 0.5(C6 H6)'
_chemical_formula_sum            'C59 H52 Cl N2 P3 Rh Si'
_chemical_formula_weight         1048.44
_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     direct
_cell_angle_alpha                87.2376(7)
_cell_angle_beta                 86.4154(8)
_cell_angle_gamma                67.1037(6)
_cell_formula_units_Z            2
_cell_length_a                   11.74350(10)
_cell_length_b                   13.3987(2)
_cell_length_c                   17.0566(2)
_cell_measurement_reflns_used    40729
_cell_measurement_temperature    200
_cell_measurement_theta_max      30
_cell_measurement_theta_min      3
_cell_volume                     2466.69(5)
_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    'Ortep-3 for windows (Farrugia, 1997)'
_computing_publication_material  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_refinement  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      200
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.034
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            67382
_diffrn_reflns_theta_full        30.081
_diffrn_reflns_theta_max         30.081
_diffrn_reflns_theta_min         2.872
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.564
_exptl_absorpt_correction_T_max  0.938
_exptl_absorpt_correction_T_min  0.905
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details
;
Gaussian integration (Coppens, 1970)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.412
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1082
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.140
_refine_diff_density_max         1.21
_refine_diff_density_min         -1.31
_refine_ls_extinction_coef       73(13)
_refine_ls_extinction_method     'Larson (1970), Equation 22'
_refine_ls_goodness_of_fit_ref   0.9812
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     813
_refine_ls_number_reflns         14450
_refine_ls_number_restraints     394
_refine_ls_R_factor_all          0.0445
_refine_ls_R_factor_gt           0.0341
_refine_ls_shift/su_max          0.0023477
_refine_ls_shift/su_mean         0.0000581
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 Method= Modified Sheldrick 
 w=1/[σ²(F²) + ( 0.04P)² + 2.23P] 
 ,where P=(max(Fo²,0) + 2Fc²)/3 
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0840
_refine_ls_wR_factor_gt          0.0790
_refine_ls_wR_factor_ref         0.0840
_reflns_limit_h_max              16
_reflns_limit_h_min              -16
_reflns_limit_k_max              18
_reflns_limit_k_min              -18
_reflns_limit_l_max              23
_reflns_limit_l_min              0
_reflns_number_gt                12233
_reflns_number_total             14450
_reflns_threshold_expression     I>2.0σ(I)
_oxford_diffrn_Wilson_B_factor   1.81
_oxford_diffrn_Wilson_scale      8.03
_oxford_refine_ls_r_factor_ref   0.0445
_oxford_refine_ls_scale          0.3711(2)
_oxford_reflns_number_all        14450
_oxford_reflns_threshold_expression_ref I>-10.0\s(I)
_cod_data_source_file            om400792j_si_002.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_atom_sites_solution_primary' value 'Direct' changed to
'direct' according to
/usr/data/users/saulius/automatic-downloads/current/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 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C59 H52 Cl1 N2 P3 Rh1 Si1'
_cod_database_code               4082492
#BEGIN Tags that were not found in dictionaries:
_iucr_refine_instruction_details_constraints
;
BLOCK 
CONT SCALE 
CONT CL   (    1 ,X'S,U'S)  UNTIL C    (  403 ) 
CONT H    (   1,X'S,U[ISO])  UNTIL H    (4031 ) 
CONT EXTPARAM 
END                                                                             
;
_iucr_refine_instruction_details_restraints
;
REM NO H   NO #H U MULT DIST 
REM C-H 
REM >4           1.5    .96 DISORDER 
REM 1      1     1.2    .93 C C-H (ACETYLENE) 
REM 1      2     1.2    .93 C-C(H)-C 
REM 1      3     1.2    .98 (C)3-C-H 
REM 2      1     1.2    .93 C=C-H(2) 
REM 2      2     1.2    .97 (C)2-C-(H)2 
REM 3      1     1.5    .96 C-C-(H)3 
REM N-H 
REM >4           1.5    .89 DISORDER 
REM 1      1     1.2    .86 N-N/H 
REM 1      2     1.2    .86 (C)2-N-H 
REM 1      3     1.2    .89 (C)3-N-H 
REM 2      1     1.2    .86 C-N-(H)2 
REM 2      2     1.2    .89 (C)2-N-(H)2 
REM 3      1     1.2    .89 C-H-(H)3 
REM O-H 
REM 1      1     1.5    .82 O-H 
REM 
REM DIST      ESD = 0.02 
REM VIB       ESD = 0.002 
REM ANGLE     ESD = 2.0 
REM            2 H ON SP 3 
DIST 0.97, 0.02 = 
CONT C ( 1) TO H(12) 
CONT C ( 1) TO H(11) 
REST 0.037, 0.002 = H(12,U[ISO]) 
REST 0.037, 0.002 = H(11,U[ISO]) 
ANGLE 0.0, 2.0 = MEAN 
CONT H(12) TO C ( 1) TO P(1) 
CONT H(12) TO C ( 1) TO N(1) 
CONT H(11) TO C ( 1) TO P(1) 
CONT H(11) TO C ( 1) TO N(1) 
ANGLE 109.54, 2.0 = 
CONT H(12) TO C ( 1) TO H(11) 
REM            2 H ON SP 3 
DIST 0.97, 0.02 = 
CONT C ( 2) TO H(21) 
CONT C ( 2) TO H(22) 
REST 0.030, 0.002 = H(21,U[ISO]) 
REST 0.030, 0.002 = H(22,U[ISO]) 
ANGLE 0.0, 2.0 = MEAN 
CONT H(21) TO C ( 2) TO P(2) 
CONT H(21) TO C ( 2) TO N(2) 
CONT H(22) TO C ( 2) TO P(2) 
CONT H(22) TO C ( 2) TO N(2) 
ANGLE 109.54, 2.0 = 
CONT H(21) TO C ( 2) TO H(22) 
REM            1 H ON SP 2 
DIST 0.93, 0.02 = 
CONT C ( 4) TO H(41) 
REST 0.041, 0.002 = H(41,U[ISO]) 
ANGLE 0.0, 2.0 = MEAN 
CONT H(41) TO C ( 4) TO C(3) 
CONT H(41) TO C ( 4) TO C(5) 
PLANAR C ( 4) C(3) C(5) H(41) 
REM            1 H ON SP 2 
DIST 0.93, 0.02 = 
CONT C ( 5) TO H(51) 
REST 0.048, 0.002 = H(51,U[ISO]) 
ANGLE 0.0, 2.0 = MEAN 
CONT H(51) TO C ( 5) TO C(4) 
CONT H(51) TO C ( 5) TO C(6) 
PLANAR C ( 5) C(4) C(6) H(51) 
REM            1 H ON SP 2 
DIST 0.93, 0.02 = 
CONT C ( 6) TO H(61) 
REST 0.050, 0.002 = H(61,U[ISO]) 
ANGLE 0.0, 2.0 = MEAN 
CONT H(61) TO C ( 6) TO C(5) 
CONT H(61) TO C ( 6) TO C(7) 
PLANAR C ( 6) C(5) C(7) H(61) 
REM            1 H ON SP 2 
DIST 0.93, 0.02 = 
CONT C ( 7) TO H(71) 
REST 0.040, 0.002 = H(71,U[ISO]) 
ANGLE 0.0, 2.0 = MEAN 
CONT H(71) TO C ( 7) TO C(6) 
CONT H(71) TO C ( 7) TO C(8) 
PLANAR C ( 7) C(6) C(8) H(71) 
REM            1 H ON SP 2 
DIST 0.93, 0.02 = 
CONT C ( 32) TO H(321) 
REST 0.042, 0.002 = H(321,U[ISO]) 
ANGLE 0.0, 2.0 = MEAN 
CONT H(321) TO C ( 32) TO C(31) 
CONT H(321) TO C ( 32) TO C(33) 
PLANAR C ( 32) C(31) C(33) H(321) 
REM            1 H ON SP 2 
DIST 0.93, 0.02 = 
CONT C ( 33) TO H(331) 
REST 0.052, 0.002 = H(331,U[ISO]) 
ANGLE 0.0, 2.0 = MEAN 
CONT H(331) TO C ( 33) TO C(32) 
CONT H(331) TO C ( 33) TO C(34) 
PLANAR C ( 33) C(32) C(34) H(331) 
REM            1 H ON SP 2 
DIST 0.93, 0.02 = 
CONT C ( 34) TO H(341) 
REST 0.054, 0.002 = H(341,U[ISO]) 
ANGLE 0.0, 2.0 = MEAN 
CONT H(341) TO C ( 34) TO C(33) 
CONT H(341) TO C ( 34) TO C(35) 
PLANAR C ( 34) C(33) C(35) H(341) 
REM            1 H ON SP 2 
DIST 0.93, 0.02 = 
CONT C ( 35) TO H(351) 
REST 0.049, 0.002 = H(351,U[ISO]) 
ANGLE 0.0, 2.0 = MEAN 
CONT H(351) TO C ( 35) TO C(34) 
CONT H(351) TO C ( 35) TO C(36) 
PLANAR C ( 35) C(34) C(36) H(351) 
REM            1 H ON SP 2 
DIST 0.93, 0.02 = 
CONT C ( 36) TO H(361) 
REST 0.039, 0.002 = H(361,U[ISO]) 
ANGLE 0.0, 2.0 = MEAN 
CONT H(361) TO C ( 36) TO C(31) 
CONT H(361) TO C ( 36) TO C(35) 
PLANAR C ( 36) C(31) C(35) H(361) 
REM            1 H ON SP 2 
DIST 0.93, 0.02 = 
CONT C ( 112) TO H(1121) 
REST 0.046, 0.002 = H(1121,U[ISO]) 
ANGLE 0.0, 2.0 = MEAN 
CONT H(1121) TO C ( 112) TO C(111) 
CONT H(1121) TO C ( 112) TO C(113) 
PLANAR C ( 112) C(111) C(113) H(1121) 
REM            1 H ON SP 2 
DIST 0.93, 0.02 = 
CONT C ( 113) TO H(1131) 
REST 0.056, 0.002 = H(1131,U[ISO]) 
ANGLE 0.0, 2.0 = MEAN 
CONT H(1131) TO C ( 113) TO C(112) 
CONT H(1131) TO C ( 113) TO C(114) 
PLANAR C ( 113) C(112) C(114) H(1131) 
REM            1 H ON SP 2 
DIST 0.93, 0.02 = 
CONT C ( 114) TO H(1141) 
REST 0.057, 0.002 = H(1141,U[ISO]) 
ANGLE 0.0, 2.0 = MEAN 
CONT H(1141) TO C ( 114) TO C(113) 
CONT H(1141) TO C ( 114) TO C(115) 
PLANAR C ( 114) C(113) C(115) H(1141) 
REM            1 H ON SP 2 
DIST 0.93, 0.02 = 
CONT C ( 115) TO H(1151) 
REST 0.049, 0.002 = H(1151,U[ISO]) 
ANGLE 0.0, 2.0 = MEAN 
CONT H(1151) TO C ( 115) TO C(114) 
CONT H(1151) TO C ( 115) TO C(116) 
PLANAR C ( 115) C(114) C(116) H(1151) 
REM            1 H ON SP 2 
DIST 0.93, 0.02 = 
CONT C ( 116) TO H(1161) 
REST 0.039, 0.002 = H(1161,U[ISO]) 
ANGLE 0.0, 2.0 = MEAN 
CONT H(1161) TO C ( 116) TO C(115) 
CONT H(1161) TO C ( 116) TO C(111) 
PLANAR C ( 116) C(115) C(111) H(1161) 
REM            1 H ON SP 2 
DIST 0.93, 0.02 = 
CONT C ( 122) TO H(1221) 
REST 0.045, 0.002 = H(1221,U[ISO]) 
ANGLE 0.0, 2.0 = MEAN 
CONT H(1221) TO C ( 122) TO C(121) 
CONT H(1221) TO C ( 122) TO C(123) 
PLANAR C ( 122) C(121) C(123) H(1221) 
REM            1 H ON SP 2 
DIST 0.93, 0.02 = 
CONT C ( 123) TO H(1231) 
REST 0.060, 0.002 = H(1231,U[ISO]) 
ANGLE 0.0, 2.0 = MEAN 
CONT H(1231) TO C ( 123) TO C(122) 
CONT H(1231) TO C ( 123) TO C(124) 
PLANAR C ( 123) C(122) C(124) H(1231) 
REM            1 H ON SP 2 
DIST 0.93, 0.02 = 
CONT C ( 124) TO H(1241) 
REST 0.065, 0.002 = H(1241,U[ISO]) 
ANGLE 0.0, 2.0 = MEAN 
CONT H(1241) TO C ( 124) TO C(123) 
CONT H(1241) TO C ( 124) TO C(125) 
PLANAR C ( 124) C(123) C(125) H(1241) 
REM            1 H ON SP 2 
DIST 0.93, 0.02 = 
CONT C ( 125) TO H(1251) 
REST 0.059, 0.002 = H(1251,U[ISO]) 
ANGLE 0.0, 2.0 = MEAN 
CONT H(1251) TO C ( 125) TO C(124) 
CONT H(1251) TO C ( 125) TO C(126) 
PLANAR C ( 125) C(124) C(126) H(1251) 
REM            1 H ON SP 2 
DIST 0.93, 0.02 = 
CONT C ( 126) TO H(1261) 
REST 0.046, 0.002 = H(1261,U[ISO]) 
ANGLE 0.0, 2.0 = MEAN 
CONT H(1261) TO C ( 126) TO C(125) 
CONT H(1261) TO C ( 126) TO C(121) 
PLANAR C ( 126) C(125) C(121) H(1261) 
REM            1 H ON SP 2 
DIST 0.93, 0.02 = 
CONT C ( 212) TO H(2121) 
REST 0.040, 0.002 = H(2121,U[ISO]) 
ANGLE 0.0, 2.0 = MEAN 
CONT H(2121) TO C ( 212) TO C(211) 
CONT H(2121) TO C ( 212) TO C(213) 
PLANAR C ( 212) C(211) C(213) H(2121) 
REM            1 H ON SP 2 
DIST 0.93, 0.02 = 
CONT C ( 213) TO H(2131) 
REST 0.051, 0.002 = H(2131,U[ISO]) 
ANGLE 0.0, 2.0 = MEAN 
CONT H(2131) TO C ( 213) TO C(212) 
CONT H(2131) TO C ( 213) TO C(214) 
PLANAR C ( 213) C(212) C(214) H(2131) 
REM            1 H ON SP 2 
DIST 0.93, 0.02 = 
CONT C ( 214) TO H(2141) 
REST 0.055, 0.002 = H(2141,U[ISO]) 
ANGLE 0.0, 2.0 = MEAN 
CONT H(2141) TO C ( 214) TO C(213) 
CONT H(2141) TO C ( 214) TO C(215) 
PLANAR C ( 214) C(213) C(215) H(2141) 
REM            1 H ON SP 2 
DIST 0.93, 0.02 = 
CONT C ( 215) TO H(2151) 
REST 0.050, 0.002 = H(2151,U[ISO]) 
ANGLE 0.0, 2.0 = MEAN 
CONT H(2151) TO C ( 215) TO C(214) 
CONT H(2151) TO C ( 215) TO C(216) 
PLANAR C ( 215) C(214) C(216) H(2151) 
REM            1 H ON SP 2 
DIST 0.93, 0.02 = 
CONT C ( 216) TO H(2161) 
REST 0.037, 0.002 = H(2161,U[ISO]) 
ANGLE 0.0, 2.0 = MEAN 
CONT H(2161) TO C ( 216) TO C(215) 
CONT H(2161) TO C ( 216) TO C(211) 
PLANAR C ( 216) C(215) C(211) H(2161) 
REM            1 H ON SP 2 
DIST 0.93, 0.02 = 
CONT C ( 222) TO H(2221) 
REST 0.047, 0.002 = H(2221,U[ISO]) 
ANGLE 0.0, 2.0 = MEAN 
CONT H(2221) TO C ( 222) TO C(221) 
CONT H(2221) TO C ( 222) TO C(223) 
PLANAR C ( 222) C(221) C(223) H(2221) 
REM            1 H ON SP 2 
DIST 0.93, 0.02 = 
CONT C ( 223) TO H(2231) 
REST 0.061, 0.002 = H(2231,U[ISO]) 
ANGLE 0.0, 2.0 = MEAN 
CONT H(2231) TO C ( 223) TO C(222) 
CONT H(2231) TO C ( 223) TO C(224) 
PLANAR C ( 223) C(222) C(224) H(2231) 
REM            1 H ON SP 2 
DIST 0.93, 0.02 = 
CONT C ( 224) TO H(2241) 
REST 0.058, 0.002 = H(2241,U[ISO]) 
ANGLE 0.0, 2.0 = MEAN 
CONT H(2241) TO C ( 224) TO C(223) 
CONT H(2241) TO C ( 224) TO C(225) 
PLANAR C ( 224) C(223) C(225) H(2241) 
REM            1 H ON SP 2 
DIST 0.93, 0.02 = 
CONT C ( 225) TO H(2251) 
REST 0.048, 0.002 = H(2251,U[ISO]) 
ANGLE 0.0, 2.0 = MEAN 
CONT H(2251) TO C ( 225) TO C(224) 
CONT H(2251) TO C ( 225) TO C(226) 
PLANAR C ( 225) C(224) C(226) H(2251) 
REM            1 H ON SP 2 
DIST 0.93, 0.02 = 
CONT C ( 226) TO H(2261) 
REST 0.036, 0.002 = H(2261,U[ISO]) 
ANGLE 0.0, 2.0 = MEAN 
CONT H(2261) TO C ( 226) TO C(221) 
CONT H(2261) TO C ( 226) TO C(225) 
PLANAR C ( 226) C(221) C(225) H(2261) 
REM            1 H ON SP 2 
DIST 0.93, 0.02 = 
CONT C ( 312) TO H(3121) 
REST 0.040, 0.002 = H(3121,U[ISO]) 
ANGLE 0.0, 2.0 = MEAN 
CONT H(3121) TO C ( 312) TO C(311) 
CONT H(3121) TO C ( 312) TO C(313) 
PLANAR C ( 312) C(311) C(313) H(3121) 
REM            1 H ON SP 2 
DIST 0.93, 0.02 = 
CONT C ( 313) TO H(3131) 
REST 0.050, 0.002 = H(3131,U[ISO]) 
ANGLE 0.0, 2.0 = MEAN 
CONT H(3131) TO C ( 313) TO C(312) 
CONT H(3131) TO C ( 313) TO C(314) 
PLANAR C ( 313) C(312) C(314) H(3131) 
REM            1 H ON SP 2 
DIST 0.93, 0.02 = 
CONT C ( 314) TO H(3141) 
REST 0.051, 0.002 = H(3141,U[ISO]) 
ANGLE 0.0, 2.0 = MEAN 
CONT H(3141) TO C ( 314) TO C(313) 
CONT H(3141) TO C ( 314) TO C(315) 
PLANAR C ( 314) C(313) C(315) H(3141) 
REM            1 H ON SP 2 
DIST 0.93, 0.02 = 
CONT C ( 315) TO H(3151) 
REST 0.047, 0.002 = H(3151,U[ISO]) 
ANGLE 0.0, 2.0 = MEAN 
CONT H(3151) TO C ( 315) TO C(314) 
CONT H(3151) TO C ( 315) TO C(316) 
PLANAR C ( 315) C(314) C(316) H(3151) 
REM            1 H ON SP 2 
DIST 0.93, 0.02 = 
CONT C ( 316) TO H(3161) 
REST 0.038, 0.002 = H(3161,U[ISO]) 
ANGLE 0.0, 2.0 = MEAN 
CONT H(3161) TO C ( 316) TO C(311) 
CONT H(3161) TO C ( 316) TO C(315) 
PLANAR C ( 316) C(311) C(315) H(3161) 
REM            1 H ON SP 2 
DIST 0.93, 0.02 = 
CONT C ( 322) TO H(3221) 
REST 0.045, 0.002 = H(3221,U[ISO]) 
ANGLE 0.0, 2.0 = MEAN 
CONT H(3221) TO C ( 322) TO C(321) 
CONT H(3221) TO C ( 322) TO C(323) 
PLANAR C ( 322) C(321) C(323) H(3221) 
REM            1 H ON SP 2 
DIST 0.93, 0.02 = 
CONT C ( 323) TO H(3231) 
REST 0.060, 0.002 = H(3231,U[ISO]) 
ANGLE 0.0, 2.0 = MEAN 
CONT H(3231) TO C ( 323) TO C(322) 
CONT H(3231) TO C ( 323) TO C(324) 
PLANAR C ( 323) C(322) C(324) H(3231) 
REM            1 H ON SP 2 
DIST 0.93, 0.02 = 
CONT C ( 324) TO H(3241) 
REST 0.066, 0.002 = H(3241,U[ISO]) 
ANGLE 0.0, 2.0 = MEAN 
CONT H(3241) TO C ( 324) TO C(323) 
CONT H(3241) TO C ( 324) TO C(325) 
PLANAR C ( 324) C(323) C(325) H(3241) 
REM            1 H ON SP 2 
DIST 0.93, 0.02 = 
CONT C ( 325) TO H(3251) 
REST 0.055, 0.002 = H(3251,U[ISO]) 
ANGLE 0.0, 2.0 = MEAN 
CONT H(3251) TO C ( 325) TO C(324) 
CONT H(3251) TO C ( 325) TO C(326) 
PLANAR C ( 325) C(324) C(326) H(3251) 
REM            1 H ON SP 2 
DIST 0.93, 0.02 = 
CONT C ( 326) TO H(3261) 
REST 0.040, 0.002 = H(3261,U[ISO]) 
ANGLE 0.0, 2.0 = MEAN 
CONT H(3261) TO C ( 326) TO C(321) 
CONT H(3261) TO C ( 326) TO C(325) 
PLANAR C ( 326) C(321) C(325) H(3261) 
REM            1 H ON SP 2 
DIST 0.93, 0.02 = 
CONT C ( 332) TO H(3321) 
REST 0.037, 0.002 = H(3321,U[ISO]) 
ANGLE 0.0, 2.0 = MEAN 
CONT H(3321) TO C ( 332) TO C(331) 
CONT H(3321) TO C ( 332) TO C(333) 
PLANAR C ( 332) C(331) C(333) H(3321) 
REM            1 H ON SP 2 
DIST 0.93, 0.02 = 
CONT C ( 333) TO H(3331) 
REST 0.049, 0.002 = H(3331,U[ISO]) 
ANGLE 0.0, 2.0 = MEAN 
CONT H(3331) TO C ( 333) TO C(332) 
CONT H(3331) TO C ( 333) TO C(334) 
PLANAR C ( 333) C(332) C(334) H(3331) 
REM            1 H ON SP 2 
DIST 0.93, 0.02 = 
CONT C ( 334) TO H(3341) 
REST 0.057, 0.002 = H(3341,U[ISO]) 
ANGLE 0.0, 2.0 = MEAN 
CONT H(3341) TO C ( 334) TO C(333) 
CONT H(3341) TO C ( 334) TO C(335) 
PLANAR C ( 334) C(333) C(335) H(3341) 
REM            1 H ON SP 2 
DIST 0.93, 0.02 = 
CONT C ( 335) TO H(3351) 
REST 0.058, 0.002 = H(3351,U[ISO]) 
ANGLE 0.0, 2.0 = MEAN 
CONT H(3351) TO C ( 335) TO C(334) 
CONT H(3351) TO C ( 335) TO C(336) 
PLANAR C ( 335) C(334) C(336) H(3351) 
REM            1 H ON SP 2 
DIST 0.93, 0.02 = 
CONT C ( 336) TO H(3361) 
REST 0.045, 0.002 = H(3361,U[ISO]) 
ANGLE 0.0, 2.0 = MEAN 
CONT H(3361) TO C ( 336) TO C(331) 
CONT H(3361) TO C ( 336) TO C(335) 
PLANAR C ( 336) C(331) C(335) H(3361) 
REM            1 H ON SP 2 
DIST 0.93, 0.02 = 
CONT C ( 401) TO H(4011) 
REST 0.096, 0.002 = H(4011,U[ISO]) 
ANGLE 0.0, 2.0 = MEAN 
CONT H(4011) TO C ( 401) TO C(403,-1,1,1,2,1) 
CONT H(4011) TO C ( 401) TO C(402) 
PLANAR C ( 401) C(403,-1,1,1,2,1) C(402) H(4011) 
REM            1 H ON SP 2 
DIST 0.93, 0.02 = 
CONT C ( 402) TO H(4021) 
REST 0.090, 0.002 = H(4021,U[ISO]) 
ANGLE 0.0, 2.0 = MEAN 
CONT H(4021) TO C ( 402) TO C(401) 
CONT H(4021) TO C ( 402) TO C(403) 
PLANAR C ( 402) C(401) C(403) H(4021) 
REM            1 H ON SP 2 
DIST 0.93, 0.02 = 
CONT C ( 403) TO H(4031) 
REST 0.093, 0.002 = H(4031,U[ISO]) 
ANGLE 0.0, 2.0 = MEAN 
CONT H(4031) TO C ( 403) TO C(401,-1,1,1,2,1) 
CONT H(4031) TO C ( 403) TO C(402) 
PLANAR C ( 403) C(401,-1,1,1,2,1) C(402) H(4031) 
REM   HREST   START (DO NOT REMOVE THIS LINE) 
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
Cl1 Cl 1.05024(4) 0.02309(4) 0.31440(3) 0.0309 1.0000 Uani .
N1 N 1.30193(14) 0.07200(13) 0.22927(9) 0.0258 1.0000 Uani D
N2 N 1.19175(13) 0.02017(12) 0.12253(9) 0.0231 1.0000 Uani D
P1 P 1.13576(4) 0.22202(4) 0.32725(3) 0.0244 1.0000 Uani D
P2 P 0.93943(4) 0.12785(3) 0.13936(3) 0.0207 1.0000 Uani D
P3 P 0.79347(4) 0.31327(4) 0.30853(3) 0.0222 1.0000 Uani .
Rh1 Rh 0.994495(12) 0.202065(11) 0.244402(7) 0.0207 1.0000 Uani .
Si1 Si 1.17692(4) 0.13969(4) 0.16896(3) 0.0216 1.0000 Uani .
C1 C 1.28933(17) 0.10657(17) 0.31051(11) 0.0311 1.0000 Uani D
C2 C 1.07770(17) 0.00669(14) 0.10823(11) 0.0253 1.0000 Uani D
C3 C 1.34880(16) -0.04012(15) 0.21502(11) 0.0266 1.0000 Uani D
C4 C 1.44176(18) -0.12073(17) 0.25525(12) 0.0344 1.0000 Uani D
C5 C 1.47372(19) -0.22916(18) 0.23692(13) 0.0408 1.0000 Uani D
C6 C 1.4144(2) -0.25633(17) 0.17980(14) 0.0424 1.0000 Uani D
C7 C 1.32093(19) -0.17648(16) 0.13865(12) 0.0337 1.0000 Uani D
C8 C 1.28820(16) -0.06854(14) 0.15603(10) 0.0259 1.0000 Uani D
C31 C 1.22136(17) 0.22747(14) 0.09405(10) 0.0255 1.0000 Uani D
C32 C 1.1427(2) 0.32910(16) 0.06681(12) 0.0348 1.0000 Uani D
C33 C 1.1809(2) 0.38369(19) 0.00655(14) 0.0446 1.0000 Uani D
C34 C 1.2987(2) 0.3378(2) -0.02774(13) 0.0459 1.0000 Uani D
C35 C 1.3799(2) 0.2373(2) -0.00140(13) 0.0414 1.0000 Uani D
C36 C 1.34124(19) 0.18298(17) 0.05908(12) 0.0324 1.0000 Uani D
C111 C 1.17587(17) 0.34136(16) 0.31951(11) 0.0285 1.0000 Uani D
C112 C 1.2675(2) 0.3472(2) 0.36607(13) 0.0389 1.0000 Uani D
C113 C 1.2935(2) 0.4395(2) 0.36421(15) 0.0479 1.0000 Uani D
C114 C 1.2295(2) 0.5273(2) 0.31634(15) 0.0481 1.0000 Uani D
C115 C 1.1383(2) 0.52291(19) 0.27093(13) 0.0407 1.0000 Uani D
C116 C 1.11224(19) 0.42984(17) 0.27199(12) 0.0327 1.0000 Uani D
C121 C 1.10430(17) 0.21600(17) 0.43327(11) 0.0294 1.0000 Uani D
C122 C 1.03752(19) 0.31306(19) 0.47137(12) 0.0365 1.0000 Uani D
C123 C 1.0034(2) 0.3117(2) 0.55052(14) 0.0496 1.0000 Uani D
C124 C 1.0342(2) 0.2152(3) 0.59246(14) 0.0541 1.0000 Uani D
C125 C 1.1012(2) 0.1194(2) 0.55594(14) 0.0496 1.0000 Uani D
C126 C 1.1367(2) 0.11897(19) 0.47636(12) 0.0378 1.0000 Uani D
C211 C 0.89843(17) 0.21703(14) 0.05257(10) 0.0244 1.0000 Uani D
C212 C 0.7833(2) 0.30355(16) 0.05443(12) 0.0338 1.0000 Uani D
C213 C 0.7487(2) 0.37695(17) -0.00798(13) 0.0425 1.0000 Uani D
C214 C 0.8283(2) 0.36556(19) -0.07274(14) 0.0462 1.0000 Uani D
C215 C 0.9425(2) 0.28085(19) -0.07565(13) 0.0423 1.0000 Uani D
C216 C 0.97836(19) 0.20586(16) -0.01313(11) 0.0309 1.0000 Uani D
C221 C 0.82716(16) 0.06286(14) 0.14281(10) 0.0245 1.0000 Uani D
C222 C 0.8233(2) -0.00459(18) 0.20678(13) 0.0395 1.0000 Uani D
C223 C 0.7477(2) -0.0630(2) 0.20620(16) 0.0517 1.0000 Uani D
C224 C 0.6785(2) -0.0568(2) 0.14263(16) 0.0489 1.0000 Uani D
C225 C 0.68220(19) 0.00902(19) 0.07947(14) 0.0401 1.0000 Uani D
C226 C 0.75514(17) 0.06948(16) 0.07939(11) 0.0298 1.0000 Uani D
C311 C 0.65280(16) 0.33186(15) 0.25738(10) 0.0249 1.0000 Uani D
C312 C 0.57805(18) 0.42721(16) 0.21939(12) 0.0331 1.0000 Uani D
C313 C 0.4762(2) 0.43065(19) 0.17947(13) 0.0420 1.0000 Uani D
C314 C 0.4475(2) 0.3407(2) 0.17784(13) 0.0436 1.0000 Uani D
C315 C 0.5189(2) 0.24626(19) 0.21662(13) 0.0399 1.0000 Uani D
C316 C 0.62034(18) 0.24210(17) 0.25652(12) 0.0323 1.0000 Uani D
C321 C 0.78530(16) 0.45249(15) 0.31431(12) 0.0284 1.0000 Uani D
C322 C 0.77345(19) 0.50288(17) 0.38537(14) 0.0372 1.0000 Uani D
C323 C 0.7752(2) 0.60617(19) 0.38708(17) 0.0504 1.0000 Uani D
C324 C 0.7872(2) 0.65988(19) 0.31841(19) 0.0551 1.0000 Uani D
C325 C 0.7980(2) 0.61185(18) 0.24709(17) 0.0460 1.0000 Uani D
C326 C 0.79871(18) 0.50781(16) 0.24475(13) 0.0334 1.0000 Uani D
C331 C 0.74326(17) 0.28537(15) 0.40808(10) 0.0264 1.0000 Uani D
C332 C 0.82036(19) 0.19877(16) 0.45257(12) 0.0314 1.0000 Uani D
C333 C 0.7841(2) 0.1807(2) 0.52982(13) 0.0414 1.0000 Uani D
C334 C 0.6716(3) 0.2485(2) 0.56215(13) 0.0488 1.0000 Uani D
C335 C 0.5925(2) 0.3336(2) 0.51758(14) 0.0488 1.0000 Uani D
C336 C 0.6277(2) 0.35174(18) 0.44091(13) 0.0379 1.0000 Uani D
C401 C 0.5734(3) 0.9759(4) 0.4336(2) 0.0814 1.0000 Uani D
C402 C 0.5322(3) 0.9006(3) 0.4679(2) 0.0763 1.0000 Uani D
C403 C 0.4590(3) 0.9239(3) 0.5338(2) 0.0765 1.0000 Uani D
H1 H 0.972(2) 0.296(2) 0.2002(16) 0.053(8) 1.0000 Uiso .
H11 H 1.2919(17) 0.0467(14) 0.3471(10) 0.0371(19) 1.0000 Uiso D
H12 H 1.3534(16) 0.1306(15) 0.3228(11) 0.0379(19) 1.0000 Uiso D
H21 H 1.0713(16) -0.0534(13) 0.1386(10) 0.0301(19) 1.0000 Uiso D
H22 H 1.0708(16) -0.0046(14) 0.0532(9) 0.0303(19) 1.0000 Uiso D
H41 H 1.4808(13) -0.1012(13) 0.2941(8) 0.0407(19) 1.0000 Uiso D
H51 H 1.5367(13) -0.2831(14) 0.2637(8) 0.0483(19) 1.0000 Uiso D
H61 H 1.4358(13) -0.3287(13) 0.1674(8) 0.0503(19) 1.0000 Uiso D
H71 H 1.2807(12) -0.1957(13) 0.1002(8) 0.0391(19) 1.0000 Uiso D
H321 H 1.0631(14) 0.3612(13) 0.0893(8) 0.0414(19) 1.0000 Uiso D
H331 H 1.1277(15) 0.4517(13) -0.0104(8) 0.0517(19) 1.0000 Uiso D
H341 H 1.3247(15) 0.3734(13) -0.0693(8) 0.0538(19) 1.0000 Uiso D
H351 H 1.4592(15) 0.2064(13) -0.0247(8) 0.0491(19) 1.0000 Uiso D
H361 H 1.3958(15) 0.1160(12) 0.0780(8) 0.0390(19) 1.0000 Uiso D
H1121 H 1.3100(13) 0.2876(13) 0.4000(8) 0.0464(19) 1.0000 Uiso D
H1131 H 1.3533(13) 0.4430(13) 0.3947(8) 0.0561(19) 1.0000 Uiso D
H1141 H 1.2473(13) 0.5894(13) 0.3155(8) 0.0570(19) 1.0000 Uiso D
H1151 H 1.0917(13) 0.5838(13) 0.2412(8) 0.0492(19) 1.0000 Uiso D
H1161 H 1.0496(12) 0.4262(13) 0.2423(7) 0.0392(19) 1.0000 Uiso D
H1221 H 1.0151(11) 0.3792(13) 0.4438(10) 0.0437(19) 1.0000 Uiso D
H1231 H 0.9591(11) 0.3768(14) 0.5756(10) 0.0595(19) 1.0000 Uiso D
H1241 H 1.0088(11) 0.2150(15) 0.6453(10) 0.0646(19) 1.0000 Uiso D
H1251 H 1.1226(11) 0.0539(14) 0.5835(10) 0.0591(19) 1.0000 Uiso D
H1261 H 1.1809(11) 0.0535(13) 0.4514(10) 0.0455(19) 1.0000 Uiso D
H2121 H 0.7296(14) 0.3114(12) 0.0978(9) 0.0402(19) 1.0000 Uiso D
H2131 H 0.6715(14) 0.4345(12) -0.006(1) 0.0515(19) 1.0000 Uiso D
H2141 H 0.8044(15) 0.4152(12) -0.1146(9) 0.0553(19) 1.0000 Uiso D
H2151 H 0.9968(15) 0.2734(12) -0.1191(9) 0.0504(19) 1.0000 Uiso D
H2161 H 1.0547(14) 0.1507(11) -0.0155(9) 0.0369(19) 1.0000 Uiso D
H2221 H 0.8702(12) -0.0086(11) 0.2488(9) 0.0464(19) 1.0000 Uiso D
H2231 H 0.7442(13) -0.1060(11) 0.2495(10) 0.0615(19) 1.0000 Uiso D
H2241 H 0.6295(12) -0.0968(11) 0.1430(10) 0.0574(19) 1.0000 Uiso D
H2251 H 0.6357(12) 0.0131(11) 0.0350(9) 0.0485(19) 1.0000 Uiso D
H2261 H 0.7562(12) 0.1154(10) 0.0365(9) 0.0356(19) 1.0000 Uiso D
H3121 H 0.5959(13) 0.4890(13) 0.2201(7) 0.0400(19) 1.0000 Uiso D
H3131 H 0.4256(14) 0.4953(13) 0.1545(7) 0.0505(19) 1.0000 Uiso D
H3141 H 0.3794(13) 0.3442(14) 0.1513(7) 0.0515(19) 1.0000 Uiso D
H3151 H 0.5001(14) 0.1848(13) 0.2164(7) 0.0482(19) 1.0000 Uiso D
H3161 H 0.6679(13) 0.1784(13) 0.2826(7) 0.0380(19) 1.0000 Uiso D
H3221 H 0.7645(9) 0.4673(13) 0.4329(10) 0.0449(19) 1.0000 Uiso D
H3231 H 0.7687(9) 0.6378(13) 0.4349(10) 0.0596(19) 1.0000 Uiso D
H3241 H 0.7886(9) 0.7299(13) 0.3197(11) 0.0654(19) 1.0000 Uiso D
H3251 H 0.8055(9) 0.6478(14) 0.1985(10) 0.0550(19) 1.0000 Uiso D
H3261 H 0.8081(9) 0.4745(13) 0.1956(9) 0.0395(19) 1.0000 Uiso D
H3321 H 0.8968(14) 0.1533(11) 0.4310(9) 0.0358(19) 1.0000 Uiso D
H3331 H 0.8370(15) 0.1234(12) 0.5597(10) 0.0491(19) 1.0000 Uiso D
H3341 H 0.6499(15) 0.2368(12) 0.6146(10) 0.0570(19) 1.0000 Uiso D
H3351 H 0.5143(15) 0.3782(12) 0.5389(10) 0.0575(19) 1.0000 Uiso D
H3361 H 0.5742(15) 0.4111(11) 0.4101(10) 0.0447(19) 1.0000 Uiso D
H4011 H 0.6222(12) 0.9605(15) 0.3893(10) 0.096(2) 1.0000 Uiso D
H4021 H 0.5552(13) 0.8327(14) 0.4455(10) 0.0906(19) 1.0000 Uiso D
H4031 H 0.4303(13) 0.8734(15) 0.5573(10) 0.093(2) 1.0000 Uiso D
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
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'
N 0.0061 0.0033 12.2126 0.0057 3.1322 9.8933 2.0125 28.9975 1.1663 0.5826
-11.5290 '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'
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'
Si 0.0817 0.0704 6.2915 2.4386 3.0353 32.3337 1.9891 0.6785 1.5410 81.6937
1.1407 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
1 0 0 0.060
-1 -2 0 0.140
0 4 -5 0.030
0 7 8 0.084
0 -4 -4 0.116
0 -4 5 0.110
10 7 8 0.078
-11 -5 6 0.085
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
Si1 . N1 C1 117.40(12) yes
Si1 . N1 C3 109.20(12) yes
C1 . N1 C3 118.46(15) yes
Si1 . N2 C2 116.88(11) yes
Si1 . N2 C8 109.08(12) yes
C2 . N2 C8 117.81(14) yes
Rh1 . P1 C1 108.31(6) yes
Rh1 . P1 C111 121.43(6) yes
C1 . P1 C111 103.16(9) yes
Rh1 . P1 C121 117.88(6) yes
C1 . P1 C121 103.73(9) yes
C111 . P1 C121 100.16(9) yes
Rh1 . P2 C2 107.42(6) yes
Rh1 . P2 C211 114.21(6) yes
C2 . P2 C211 105.80(8) yes
Rh1 . P2 C221 126.69(6) yes
C2 . P2 C221 96.85(8) yes
C211 . P2 C221 103.05(8) yes
Rh1 . P3 C311 117.48(6) yes
Rh1 . P3 C321 108.38(6) yes
C311 . P3 C321 102.86(8) yes
Rh1 . P3 C331 123.66(6) yes
C311 . P3 C331 98.95(8) yes
C321 . P3 C331 102.88(9) yes
Cl1 . Rh1 P3 103.191(16) yes
Cl1 . Rh1 P1 83.255(17) yes
P3 . Rh1 P1 102.337(16) yes
Cl1 . Rh1 P2 88.020(16) yes
P3 . Rh1 P2 103.446(16) yes
P1 . Rh1 P2 154.044(17) yes
Cl1 . Rh1 Si1 91.335(17) yes
P3 . Rh1 Si1 165.376(17) yes
P1 . Rh1 Si1 77.402(17) yes
P2 . Rh1 Si1 78.419(16) yes
Cl1 . Rh1 H1 174.6(11) no
P3 . Rh1 H1 81.9(11) no
P1 . Rh1 H1 97.6(11) no
P2 . Rh1 H1 89.0(11) no
Si1 . Rh1 H1 83.6(11) no
N2 . Si1 N1 93.49(7) yes
N2 . Si1 Rh1 109.40(5) yes
N1 . Si1 Rh1 109.90(5) yes
N2 . Si1 C31 107.77(7) yes
N1 . Si1 C31 109.35(8) yes
Rh1 . Si1 C31 122.92(6) yes
P1 . C1 N1 109.45(12) yes
P1 . C1 H11 107.9(11) no
N1 . C1 H11 110.2(11) no
P1 . C1 H12 108.1(11) no
N1 . C1 H12 112.3(11) no
H11 . C1 H12 108.7(13) no
P2 . C2 N2 111.09(12) yes
P2 . C2 H21 105.6(10) no
N2 . C2 H21 111.3(10) no
P2 . C2 H22 107.8(10) no
N2 . C2 H22 112.4(10) no
H21 . C2 H22 108.3(13) no
N1 . C3 C4 126.11(18) yes
N1 . C3 C8 114.01(15) yes
C4 . C3 C8 119.81(18) yes
C3 . C4 C5 119.3(2) yes
C3 . C4 H41 119.2(10) no
C5 . C4 H41 121.5(10) no
C4 . C5 C6 120.62(19) yes
C4 . C5 H51 119.2(11) no
C6 . C5 H51 120.2(11) no
C5 . C6 C7 120.9(2) yes
C5 . C6 H61 120.7(11) no
C7 . C6 H61 118.5(11) no
C6 . C7 C8 119.2(2) yes
C6 . C7 H71 120.3(10) no
C8 . C7 H71 120.5(10) no
C3 . C8 N2 114.16(16) yes
C3 . C8 C7 120.11(17) yes
N2 . C8 C7 125.64(18) yes
Si1 . C31 C32 125.35(15) yes
Si1 . C31 C36 116.79(14) yes
C32 . C31 C36 117.69(18) yes
C31 . C32 C33 121.1(2) yes
C31 . C32 H321 119.8(10) no
C33 . C32 H321 119.1(10) no
C32 . C33 C34 120.3(2) yes
C32 . C33 H331 119.9(11) no
C34 . C33 H331 119.8(11) no
C33 . C34 C35 120.1(2) yes
C33 . C34 H341 120.8(11) no
C35 . C34 H341 119.1(11) no
C34 . C35 C36 119.4(2) yes
C34 . C35 H351 119.9(11) no
C36 . C35 H351 120.6(11) no
C31 . C36 C35 121.4(2) yes
C31 . C36 H361 118.5(10) no
C35 . C36 H361 120.1(10) no
P1 . C111 C112 120.01(16) yes
P1 . C111 C116 121.27(15) yes
C112 . C111 C116 118.60(19) yes
C111 . C112 C113 120.6(2) yes
C111 . C112 H1121 119.2(11) no
C113 . C112 H1121 120.2(11) no
C112 . C113 C114 120.3(2) yes
C112 . C113 H1131 120.3(11) no
C114 . C113 H1131 119.4(11) no
C113 . C114 C115 119.6(2) yes
C113 . C114 H1141 119.9(11) no
C115 . C114 H1141 120.5(11) no
C114 . C115 C116 120.4(2) yes
C114 . C115 H1151 119.5(11) no
C116 . C115 H1151 120.1(11) no
C115 . C116 C111 120.5(2) yes
C115 . C116 H1161 121.3(10) no
C111 . C116 H1161 118.2(10) no
P1 . C121 C122 118.15(16) yes
P1 . C121 C126 122.85(16) yes
C122 . C121 C126 118.85(19) yes
C121 . C122 C123 120.1(2) yes
C121 . C122 H1221 120.4(11) no
C123 . C122 H1221 119.4(11) no
C122 . C123 C124 120.6(2) yes
C122 . C123 H1231 119.6(11) no
C124 . C123 H1231 119.7(11) no
C123 . C124 C125 119.8(2) yes
C123 . C124 H1241 120.0(11) no
C125 . C124 H1241 120.2(11) no
C124 . C125 C126 120.5(2) yes
C124 . C125 H1251 120.6(11) no
C126 . C125 H1251 118.9(11) no
C125 . C126 C121 120.1(2) yes
C125 . C126 H1261 120.3(11) no
C121 . C126 H1261 119.6(11) no
P2 . C211 C212 117.78(14) yes
P2 . C211 C216 123.13(14) yes
C212 . C211 C216 119.01(17) yes
C211 . C212 C213 120.7(2) yes
C211 . C212 H2121 119.5(10) no
C213 . C212 H2121 119.8(10) no
C212 . C213 C214 120.0(2) yes
C212 . C213 H2131 119.8(11) no
C214 . C213 H2131 120.2(11) no
C213 . C214 C215 120.2(2) yes
C213 . C214 H2141 119.5(11) no
C215 . C214 H2141 120.3(11) no
C214 . C215 C216 120.4(2) yes
C214 . C215 H2151 120.4(11) no
C216 . C215 H2151 119.2(11) no
C215 . C216 C211 119.69(19) yes
C215 . C216 H2161 119.6(10) no
C211 . C216 H2161 120.7(10) no
P2 . C221 C222 119.27(15) yes
P2 . C221 C226 121.75(14) yes
C222 . C221 C226 118.61(18) yes
C221 . C222 C223 119.7(2) yes
C221 . C222 H2221 118.8(11) no
C223 . C222 H2221 121.5(11) no
C222 . C223 C224 121.0(2) yes
C222 . C223 H2231 119.0(11) no
C224 . C223 H2231 120.1(11) no
C223 . C224 C225 119.6(2) yes
C223 . C224 H2241 119.9(11) no
C225 . C224 H2241 120.5(11) no
C224 . C225 C226 120.4(2) yes
C224 . C225 H2251 120.3(11) no
C226 . C225 H2251 119.3(11) no
C221 . C226 C225 120.7(2) yes
C221 . C226 H2261 119.2(10) no
C225 . C226 H2261 120.1(10) no
P3 . C311 C312 125.25(15) yes
P3 . C311 C316 116.60(14) yes
C312 . C311 C316 118.15(17) yes
C311 . C312 C313 120.3(2) yes
C311 . C312 H3121 120.3(10) no
C313 . C312 H3121 119.4(10) no
C312 . C313 C314 120.6(2) yes
C312 . C313 H3131 120.0(11) no
C314 . C313 H3131 119.4(11) no
C313 . C314 C315 119.9(2) yes
C313 . C314 H3141 119.7(11) no
C315 . C314 H3141 120.4(11) no
C314 . C315 C316 119.9(2) yes
C314 . C315 H3151 120.8(11) no
C316 . C315 H3151 119.3(11) no
C311 . C316 C315 121.1(2) yes
C311 . C316 H3161 119.3(10) no
C315 . C316 H3161 119.6(10) no
P3 . C321 C322 122.47(16) yes
P3 . C321 C326 118.84(15) yes
C322 . C321 C326 118.58(19) yes
C321 . C322 C323 120.4(2) yes
C321 . C322 H3221 120.2(11) no
C323 . C322 H3221 119.4(11) no
C322 . C323 C324 120.4(2) yes
C322 . C323 H3231 119.2(11) no
C324 . C323 H3231 120.5(11) no
C323 . C324 C325 120.2(2) yes
C323 . C324 H3241 120.2(11) no
C325 . C324 H3241 119.5(11) no
C324 . C325 C326 119.9(2) yes
C324 . C325 H3251 121.9(11) no
C326 . C325 H3251 118.2(11) no
C321 . C326 C325 120.5(2) yes
C321 . C326 H3261 120.0(10) no
C325 . C326 H3261 119.5(10) no
P3 . C331 C332 120.30(14) yes
P3 . C331 C336 120.71(15) yes
C332 . C331 C336 118.99(18) yes
C331 . C332 C333 120.1(2) yes
C331 . C332 H3321 119.7(10) no
C333 . C332 H3321 120.1(10) no
C332 . C333 C334 120.3(2) yes
C332 . C333 H3331 119.7(11) no
C334 . C333 H3331 120.1(11) no
C333 . C334 C335 120.1(2) yes
C333 . C334 H3341 119.2(11) no
C335 . C334 H3341 120.7(11) no
C334 . C335 C336 120.0(2) yes
C334 . C335 H3351 120.1(11) no
C336 . C335 H3351 119.9(11) no
C331 . C336 C335 120.6(2) yes
C331 . C336 H3361 119.0(10) no
C335 . C336 H3361 120.4(10) no
C403 2_676 C401 C402 120.8(3) yes
C403 2_676 C401 H4011 118.9(13) no
C402 . C401 H4011 120.2(12) no
C401 . C402 C403 120.1(3) yes
C401 . C402 H4021 120.1(12) no
C403 . C402 H4021 119.8(12) no
C401 2_676 C403 C402 119.1(4) yes
C401 2_676 C403 H4031 120.3(12) no
C402 . C403 H4031 120.6(12) 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
Cl1 Rh1 . 2.4910(5) yes
N1 Si1 . 1.7603(16) yes
N1 C1 . 1.463(2) yes
N1 C3 . 1.412(2) yes
N2 Si1 . 1.7637(15) yes
N2 C2 . 1.456(2) yes
N2 C8 . 1.411(2) yes
P1 Rh1 . 2.3442(5) yes
P1 C1 . 1.880(2) yes
P1 C111 . 1.831(2) yes
P1 C121 . 1.8272(19) yes
P2 Rh1 . 2.3310(4) yes
P2 C2 . 1.8650(18) yes
P2 C211 . 1.8227(18) yes
P2 C221 . 1.8381(18) yes
P3 Rh1 . 2.4671(5) yes
P3 C311 . 1.8416(18) yes
P3 C321 . 1.8373(19) yes
P3 C331 . 1.8319(18) yes
Rh1 Si1 . 2.3042(5) yes
Rh1 H1 . 1.37(3) no
Si1 C31 . 1.8809(18) yes
C1 H11 . 0.985(15) no
C1 H12 . 0.964(15) no
C2 H21 . 0.961(15) no
C2 H22 . 0.971(15) no
C3 C4 . 1.391(3) yes
C3 C8 . 1.415(3) yes
C4 C5 . 1.398(3) yes
C4 H41 . 0.930(16) no
C5 C6 . 1.372(4) yes
C5 H51 . 0.934(16) no
C6 C7 . 1.397(3) yes
C6 H61 . 0.933(16) no
C7 C8 . 1.386(3) yes
C7 H71 . 0.933(16) no
C31 C32 . 1.392(3) yes
C31 C36 . 1.403(3) yes
C32 C33 . 1.385(3) yes
C32 H321 . 0.929(16) no
C33 C34 . 1.380(4) yes
C33 H331 . 0.927(16) no
C34 C35 . 1.385(4) yes
C34 H341 . 0.936(16) no
C35 C36 . 1.388(3) yes
C35 H351 . 0.931(16) no
C36 H361 . 0.933(15) no
C111 C112 . 1.405(3) yes
C111 C116 . 1.384(3) yes
C112 C113 . 1.382(3) yes
C112 H1121 . 0.951(16) no
C113 C114 . 1.383(4) yes
C113 H1131 . 0.916(16) no
C114 C115 . 1.382(4) yes
C114 H1141 . 0.933(16) no
C115 C116 . 1.394(3) yes
C115 H1151 . 0.932(16) no
C116 H1161 . 0.936(16) no
C121 C122 . 1.398(3) yes
C121 C126 . 1.390(3) yes
C122 C123 . 1.385(3) yes
C122 H1221 . 0.932(16) no
C123 C124 . 1.376(4) yes
C123 H1231 . 0.932(16) no
C124 C125 . 1.373(4) yes
C124 H1241 . 0.931(17) no
C125 C126 . 1.395(3) yes
C125 H1251 . 0.926(16) no
C126 H1261 . 0.935(16) no
C211 C212 . 1.397(3) yes
C211 C216 . 1.391(3) yes
C212 C213 . 1.381(3) yes
C212 H2121 . 0.924(16) no
C213 C214 . 1.376(3) yes
C213 H2131 . 0.934(16) no
C214 C215 . 1.379(3) yes
C214 H2141 . 0.930(16) no
C215 C216 . 1.396(3) yes
C215 H2151 . 0.929(16) no
C216 H2161 . 0.914(15) no
C221 C222 . 1.393(3) yes
C221 C226 . 1.393(3) yes
C222 C223 . 1.394(3) yes
C222 H2221 . 0.918(16) no
C223 C224 . 1.375(4) yes
C223 H2231 . 0.924(17) no
C224 C225 . 1.369(4) yes
C224 H2241 . 0.927(16) no
C225 C226 . 1.389(3) yes
C225 H2251 . 0.949(16) no
C226 H2261 . 0.935(15) no
C311 C312 . 1.393(3) yes
C311 C316 . 1.397(3) yes
C312 C313 . 1.397(3) yes
C312 H3121 . 0.931(16) no
C313 C314 . 1.374(3) yes
C313 H3131 . 0.938(16) no
C314 C315 . 1.380(4) yes
C314 H3141 . 0.927(16) no
C315 C316 . 1.389(3) yes
C315 H3151 . 0.932(16) no
C316 H3161 . 0.929(15) no
C321 C322 . 1.389(3) yes
C321 C326 . 1.402(3) yes
C322 C323 . 1.394(3) yes
C322 H3221 . 0.942(16) no
C323 C324 . 1.374(4) yes
C323 H3231 . 0.923(17) no
C324 C325 . 1.379(4) yes
C324 H3241 . 0.947(17) no
C325 C326 . 1.393(3) yes
C325 H3251 . 0.955(16) no
C326 H3261 . 0.948(16) no
C331 C332 . 1.388(3) yes
C331 C336 . 1.400(3) yes
C332 C333 . 1.398(3) yes
C332 H3321 . 0.931(15) no
C333 C334 . 1.378(4) yes
C333 H3331 . 0.931(16) no
C334 C335 . 1.386(4) yes
C334 H3341 . 0.937(16) no
C335 C336 . 1.386(3) yes
C335 H3351 . 0.941(16) no
C336 H3361 . 0.957(16) no
C401 C403 2_676 1.379(5) yes
C401 C402 . 1.372(6) yes
C401 H4011 . 0.902(18) no
C402 C403 . 1.344(5) yes
C402 H4021 . 0.935(18) no
C403 H4031 . 0.931(18) no
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_angle_DHA
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_publ_flag
C312 H3121 C326 129.9(12) 0.931(16) 2.552(17) 3.230(3) yes
