#------------------------------------------------------------------------------
#$Date: 2019-11-23 01:29:10 +0200 (Sat, 23 Nov 2019) $
#$Revision: 231762 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/64/4346415.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_4346415
loop_
_publ_author_name
'Plikhta, Andriy'
'Pöthig, Alexander'
'Herdtweck, Eberhardt'
'Rieger, Bernhard'
_publ_section_title
;
 Toward new organometallic architectures: synthesis of carbene-centered
 rhodium and palladium bisphosphine complexes. stability and reactivity of
 [PC(BIm)PRh(L)][PF6] pincers.
;
_journal_issue                   19
_journal_name_full               'Inorganic chemistry'
_journal_page_first              9517
_journal_page_last               9528
_journal_paper_doi               10.1021/acs.inorgchem.5b01428
_journal_volume                  54
_journal_year                    2015
_chemical_formula_moiety         'C35 H34 N2 O P2 Rh S, C2 H6 O S, F6 P'
_chemical_formula_sum            'C37 H40 F6 N2 O2 P3 Rh S2'
_chemical_formula_weight         918.67
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90
_cell_angle_beta                 95.9309(12)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   16.8923(4)
_cell_length_b                   23.2464(6)
_cell_length_c                   19.7992(5)
_cell_measurement_reflns_used    9781
_cell_measurement_temperature    123(1)
_cell_measurement_theta_max      25.45
_cell_measurement_theta_min      1.50
_cell_volume                     7733.2(3)
_computing_cell_refinement       'SAINT (Bruker, 2008b)'
_computing_data_collection       'APEX II Control Software (Bruker, 2008a)'
_computing_data_reduction        'SAINT (Bruker, 2008b)'
_computing_molecular_graphics    'PLATON (Spek, 2010)'
_computing_publication_material  'PLATON (Spek, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1998)'
_computing_structure_solution    'SIR92 (Altomare, 1994)'
_diffrn_ambient_temperature      123(1)
_diffrn_detector                 ' CCD plate '
_diffrn_detector_area_resol_mean 16
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       ' κ-geometry diffractometer '
_diffrn_measurement_device_type  ' Bruker APEX-II CCD '
_diffrn_measurement_method       ' phi- and omega-rotation '
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode FR591'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0368
_diffrn_reflns_av_sigmaI/netI    0.0174
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            71083
_diffrn_reflns_theta_full        25.45
_diffrn_reflns_theta_max         25.45
_diffrn_reflns_theta_min         1.50
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.739
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6866
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Bruker, 2008b'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.578
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    none
_exptl_crystal_description       needle
_exptl_crystal_F_000             3744
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.03
_refine_diff_density_max         4.320
_refine_diff_density_min         -0.529
_refine_diff_density_rms         0.117
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.207
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     484
_refine_ls_number_reflns         7138
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.207
_refine_ls_R_factor_all          0.0542
_refine_ls_R_factor_gt           0.0512
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0219P)²+111.6096P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.1255
_refine_ls_wR_factor_ref         0.1271
_reflns_number_gt                6604
_reflns_number_total             7138
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ic5b01428_si_002.cif
_cod_data_source_block           6a
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/ACS/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

data item '_exptl_crystal_density_meas' value 'none' was changed to
'?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4346415
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,y,1/2-z
3 -x,-y,-z
4 x,-y,1/2+z
5 1/2+x,1/2+y,z
6 1/2-x,1/2+y,1/2-z
7 1/2-x,1/2-y,-z
8 1/2+x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_thermal_displace_type
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
_atom_site_calc_flag
_atom_site_refinement_flags
Rh1 Rh Uani 0.23605(2) 0.47969(2) 0.18404(2) 1.000 0.0147(1) . .
S1 S Uani 0.29651(7) 0.41863(5) 0.26373(6) 1.000 0.0181(3) . .
P1 P Uani 0.27254(7) 0.43936(5) 0.08639(6) 1.000 0.0159(3) . .
P2 P Uani 0.18594(7) 0.54443(5) 0.25599(6) 1.000 0.0157(3) . .
O1 O Uani 0.2833(2) 0.42639(15) 0.33593(17) 1.000 0.0239(11) . .
N1 N Uani 0.2031(2) 0.53880(17) 0.05046(19) 1.000 0.0164(11) . .
N2 N Uani 0.1493(2) 0.58407(17) 0.13041(19) 1.000 0.0164(11) . .
C1 C Uani 0.1918(3) 0.5364(2) 0.1176(2) 1.000 0.0159(12) . .
C2 C Uani 0.1709(3) 0.5896(2) 0.0213(2) 1.000 0.0171(12) . .
C3 C Uani 0.1728(3) 0.6132(2) -0.0428(2) 1.000 0.0222(14) . .
C4 C Uani 0.1367(3) 0.6663(2) -0.0540(3) 1.000 0.0287(17) . .
C5 C Uani 0.1000(3) 0.6948(2) -0.0034(3) 1.000 0.0265(17) . .
C6 C Uani 0.0981(3) 0.6715(2) 0.0610(3) 1.000 0.0227(16) . .
C7 C Uani 0.1349(3) 0.6181(2) 0.0725(2) 1.000 0.0184(14) . .
C8 C Uani 0.2509(3) 0.49638(19) 0.0198(2) 1.000 0.0162(12) . .
C9 C Uani 0.1210(3) 0.5911(2) 0.1972(2) 1.000 0.0190(12) . .
C10 C Uani 0.3750(3) 0.4188(2) 0.0759(2) 1.000 0.0162(12) . .
C11 C Uani 0.3989(3) 0.3615(2) 0.0824(3) 1.000 0.0208(14) . .
C12 C Uani 0.4786(3) 0.3471(2) 0.0785(3) 1.000 0.0266(17) . .
C13 C Uani 0.5348(3) 0.3890(2) 0.0706(3) 1.000 0.0269(16) . .
C14 C Uani 0.5113(3) 0.4461(3) 0.0667(3) 1.000 0.0280(17) . .
C15 C Uani 0.4324(3) 0.4616(2) 0.0703(2) 1.000 0.0231(16) . .
C16 C Uani 0.2128(3) 0.3784(2) 0.0538(2) 1.000 0.0181(12) . .
C17 C Uani 0.1509(3) 0.3596(2) 0.0897(2) 1.000 0.0221(14) . .
C18 C Uani 0.1028(3) 0.3150(2) 0.0657(3) 1.000 0.0273(17) . .
C19 C Uani 0.1158(3) 0.2882(2) 0.0051(3) 1.000 0.0284(17) . .
C20 C Uani 0.1771(3) 0.3062(2) -0.0313(3) 1.000 0.0245(16) . .
C21 C Uani 0.2255(3) 0.3512(2) -0.0073(2) 1.000 0.0210(12) . .
C22 C Uani 0.2595(3) 0.5918(2) 0.3021(2) 1.000 0.0173(12) . .
C23 C Uani 0.3193(3) 0.5665(2) 0.3450(2) 1.000 0.0217(14) . .
C24 C Uani 0.3785(3) 0.5997(2) 0.3803(3) 1.000 0.0237(16) . .
C25 C Uani 0.3784(3) 0.6590(2) 0.3727(3) 1.000 0.0248(17) . .
C26 C Uani 0.3182(3) 0.6848(2) 0.3304(3) 1.000 0.0266(17) . .
C27 C Uani 0.2588(3) 0.6521(2) 0.2954(3) 1.000 0.0229(17) . .
C28 C Uani 0.1188(3) 0.5266(2) 0.3194(2) 1.000 0.0183(14) . .
C29 C Uani 0.0798(3) 0.4744(2) 0.3159(3) 1.000 0.0248(17) . .
C30 C Uani 0.0244(3) 0.4620(3) 0.3618(3) 1.000 0.0300(17) . .
C31 C Uani 0.0103(3) 0.5019(3) 0.4111(3) 1.000 0.0278(16) . .
C32 C Uani 0.0500(3) 0.5536(2) 0.4158(3) 1.000 0.0265(16) . .
C33 C Uani 0.1043(3) 0.5663(2) 0.3694(2) 1.000 0.0226(14) . .
C34 C Uani 0.4014(3) 0.4228(3) 0.2594(3) 1.000 0.0299(19) . .
C35 C Uani 0.2821(3) 0.3436(2) 0.2464(3) 1.000 0.0292(16) . .
S2 S Uani 0.10159(8) 0.14377(6) 0.39830(7) 1.000 0.0266(4) . .
O2 O Uani 0.1340(2) 0.09620(17) 0.44354(19) 1.000 0.0320(12) . .
C36 C Uani 0.0817(4) 0.1120(3) 0.3156(3) 1.000 0.0373(19) . .
C37 C Uani 0.1845(3) 0.1869(3) 0.3795(3) 1.000 0.0349(17) . .
P3 P Uani 0.50000 0.23895(9) 0.25000 1.000 0.0319(6) . .
F1 F Uani 0.50000 0.3063(3) 0.25000 1.000 0.076(3) . .
F2 F Uani 0.50000 0.1721(2) 0.25000 1.000 0.145(5) . .
F3 F Uani 0.4425(4) 0.2394(3) 0.1829(3) 1.000 0.112(3) . .
F4 F Uani 0.5755(3) 0.23910(17) 0.2078(2) 1.000 0.0588(16) . .
P4 P Uani 0.00000 0.29010(8) 0.25000 1.000 0.0220(5) . .
F5 F Uani 0.0939(2) 0.2889(3) 0.2559(3) 1.000 0.077(2) . .
F6 F Uani -0.0008(3) 0.2442(2) 0.1921(3) 1.000 0.104(3) . .
F7 F Uani -0.0003(4) 0.3372(2) 0.1938(3) 1.000 0.089(2) . .
H31 H Uiso 0.19750 0.59390 -0.07740 1.000 0.0260 calc R
H41 H Uiso 0.13690 0.68390 -0.09730 1.000 0.0340 calc R
H51 H Uiso 0.07570 0.73110 -0.01330 1.000 0.0320 calc R
H61 H Uiso 0.07320 0.69080 0.09540 1.000 0.0280 calc R
H81 H Uiso 0.30090 0.51380 0.00740 1.000 0.0190 calc R
H82 H Uiso 0.22140 0.48000 -0.02150 1.000 0.0190 calc R
H91 H Uiso 0.06470 0.57910 0.19610 1.000 0.0220 calc R
H92 H Uiso 0.12550 0.63180 0.21190 1.000 0.0220 calc R
H111 H Uiso 0.36120 0.33240 0.08950 1.000 0.0250 calc R
H121 H Uiso 0.49440 0.30780 0.08140 1.000 0.0320 calc R
H131 H Uiso 0.58890 0.37890 0.06790 1.000 0.0320 calc R
H141 H Uiso 0.54970 0.47510 0.06150 1.000 0.0330 calc R
H151 H Uiso 0.41740 0.50100 0.06910 1.000 0.0280 calc R
H171 H Uiso 0.14200 0.37790 0.13120 1.000 0.0260 calc R
H181 H Uiso 0.06070 0.30250 0.09050 1.000 0.0330 calc R
H191 H Uiso 0.08240 0.25730 -0.01150 1.000 0.0340 calc R
H201 H Uiso 0.18580 0.28770 -0.07260 1.000 0.0290 calc R
H211 H Uiso 0.26740 0.36370 -0.03220 1.000 0.0250 calc R
H231 H Uiso 0.32000 0.52590 0.35060 1.000 0.0260 calc R
H241 H Uiso 0.41910 0.58170 0.40970 1.000 0.0290 calc R
H251 H Uiso 0.41920 0.68170 0.39610 1.000 0.0300 calc R
H261 H Uiso 0.31760 0.72540 0.32530 1.000 0.0320 calc R
H271 H Uiso 0.21760 0.67040 0.26690 1.000 0.0270 calc R
H291 H Uiso 0.09050 0.44690 0.28250 1.000 0.0300 calc R
H301 H Uiso -0.00340 0.42640 0.35920 1.000 0.0360 calc R
H311 H Uiso -0.02740 0.49340 0.44210 1.000 0.0330 calc R
H321 H Uiso 0.04070 0.58040 0.45040 1.000 0.0320 calc R
H331 H Uiso 0.13140 0.60220 0.37180 1.000 0.0270 calc R
H341 H Uiso 0.42870 0.39600 0.29220 1.000 0.0450 calc R
H342 H Uiso 0.41970 0.46210 0.27000 1.000 0.0450 calc R
H343 H Uiso 0.41340 0.41270 0.21350 1.000 0.0450 calc R
H351 H Uiso 0.22560 0.33410 0.24620 1.000 0.0430 calc R
H352 H Uiso 0.31320 0.32110 0.28160 1.000 0.0430 calc R
H353 H Uiso 0.29970 0.33460 0.20200 1.000 0.0430 calc R
H361 H Uiso 0.03300 0.08890 0.31400 1.000 0.0560 calc R
H362 H Uiso 0.12640 0.08730 0.30650 1.000 0.0560 calc R
H363 H Uiso 0.07480 0.14240 0.28130 1.000 0.0560 calc R
H371 H Uiso 0.22460 0.16240 0.36150 1.000 0.0530 calc R
H372 H Uiso 0.20790 0.20590 0.42100 1.000 0.0530 calc R
H373 H Uiso 0.16630 0.21610 0.34560 1.000 0.0530 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
S1 Rh1 P1 100.88(4) . . yes
S1 Rh1 P2 98.40(4) . . yes
S1 Rh1 C1 175.18(15) . . yes
P1 Rh1 P2 160.38(5) . . yes
P1 Rh1 C1 79.95(13) . . yes
P2 Rh1 C1 80.53(13) . . yes
Rh1 S1 O1 119.35(15) . . yes
Rh1 S1 C34 108.0(2) . . yes
Rh1 S1 C35 115.54(19) . . yes
O1 S1 C34 106.8(2) . . yes
O1 S1 C35 105.8(2) . . yes
C34 S1 C35 99.2(3) . . yes
C36 S2 C37 96.7(3) . . yes
O2 S2 C36 105.4(3) . . yes
O2 S2 C37 107.1(2) . . yes
Rh1 P1 C8 104.71(14) . . yes
C8 P1 C16 103.9(2) . . yes
C10 P1 C16 104.7(2) . . yes
Rh1 P1 C16 115.51(15) . . yes
C8 P1 C10 102.9(2) . . yes
Rh1 P1 C10 122.93(14) . . yes
Rh1 P2 C9 103.02(14) . . yes
Rh1 P2 C22 115.41(16) . . yes
C22 P2 C28 103.4(2) . . yes
C9 P2 C28 101.2(2) . . yes
C9 P2 C22 106.7(2) . . yes
Rh1 P2 C28 125.03(16) . . yes
F2 P3 F4 90.13(16) . . yes
F2 P3 F3 90.4(3) . 2_655 yes
F3 P3 F4 90.9(3) . . yes
F3 P3 F3 179.2(4) . 2_655 yes
F2 P3 F4 90.13(16) . 2_655 yes
F2 P3 F3 90.4(3) . . yes
F4 P3 F4 179.8(3) . 2_655 yes
F3 P3 F4 90.9(3) 2_655 2_655 yes
F1 P3 F2 180.00(2) . . yes
F1 P3 F3 89.6(3) . . yes
F1 P3 F4 89.88(16) . . yes
F3 P3 F4 89.1(3) . 2_655 yes
F3 P3 F4 89.1(3) 2_655 . yes
F1 P3 F4 89.88(16) . 2_655 yes
F1 P3 F3 89.6(3) . 2_655 yes
F6 P4 F6 94.0(3) . 2_555 yes
F6 P4 F7 178.4(3) . 2_555 yes
F6 P4 F7 178.4(3) 2_555 . yes
F7 P4 F7 90.9(3) . 2_555 yes
F5 P4 F7 91.7(3) 2_555 . yes
F5 P4 F6 90.1(3) 2_555 . yes
F6 P4 F7 87.5(3) 2_555 2_555 yes
F5 P4 F7 91.7(3) . 2_555 yes
F5 P4 F6 88.6(3) . . yes
F5 P4 F7 89.7(3) . . yes
F5 P4 F5 178.0(4) . 2_555 yes
F5 P4 F6 88.6(3) 2_555 2_555 yes
F5 P4 F7 89.7(3) 2_555 2_555 yes
F6 P4 F7 87.5(3) . . yes
F5 P4 F6 90.1(3) . 2_555 yes
C2 N1 C8 127.7(4) . . yes
C1 N1 C2 110.4(4) . . yes
C1 N1 C8 121.4(4) . . yes
C7 N2 C9 129.5(4) . . yes
C1 N2 C7 111.1(4) . . yes
C1 N2 C9 119.3(4) . . yes
N1 C1 N2 106.2(4) . . yes
Rh1 C1 N1 127.0(3) . . yes
Rh1 C1 N2 126.7(3) . . yes
C3 C2 C7 121.9(4) . . no
N1 C2 C7 106.2(4) . . yes
N1 C2 C3 131.8(4) . . yes
C2 C3 C4 116.6(4) . . no
C3 C4 C5 121.9(5) . . no
C4 C5 C6 121.8(5) . . no
C5 C6 C7 116.4(5) . . no
N2 C7 C6 132.5(4) . . yes
N2 C7 C2 106.0(4) . . yes
C2 C7 C6 121.4(4) . . no
P1 C8 N1 105.2(3) . . yes
P2 C9 N2 105.9(3) . . yes
C11 C10 C15 119.3(5) . . no
P1 C10 C15 119.6(4) . . yes
P1 C10 C11 120.5(4) . . yes
C10 C11 C12 119.7(4) . . no
C11 C12 C13 121.0(4) . . no
C12 C13 C14 119.1(5) . . no
C13 C14 C15 121.1(5) . . no
C10 C15 C14 119.7(5) . . no
P1 C16 C17 118.8(3) . . yes
C17 C16 C21 119.3(4) . . no
P1 C16 C21 121.9(4) . . yes
C16 C17 C18 120.6(4) . . no
C17 C18 C19 119.8(5) . . no
C18 C19 C20 120.5(5) . . no
C19 C20 C21 119.8(5) . . no
C16 C21 C20 120.1(5) . . no
P2 C22 C27 123.6(4) . . yes
P2 C22 C23 117.7(4) . . yes
C23 C22 C27 118.7(4) . . no
C22 C23 C24 120.9(4) . . no
C23 C24 C25 120.2(5) . . no
C24 C25 C26 119.3(5) . . no
C25 C26 C27 120.9(4) . . no
C22 C27 C26 120.0(5) . . no
C29 C28 C33 120.0(4) . . no
P2 C28 C29 119.5(4) . . yes
P2 C28 C33 120.4(4) . . yes
C28 C29 C30 119.8(5) . . no
C29 C30 C31 119.7(6) . . no
C30 C31 C32 121.0(5) . . no
C31 C32 C33 119.3(5) . . no
C28 C33 C32 120.2(4) . . no
C2 C3 H31 122.00 . . no
C4 C3 H31 122.00 . . no
C5 C4 H41 119.00 . . no
C3 C4 H41 119.00 . . no
C6 C5 H51 119.00 . . no
C4 C5 H51 119.00 . . no
C5 C6 H61 122.00 . . no
C7 C6 H61 122.00 . . no
H81 C8 H82 109.00 . . no
N1 C8 H82 111.00 . . no
P1 C8 H82 111.00 . . no
N1 C8 H81 111.00 . . no
P1 C8 H81 111.00 . . no
P2 C9 H91 111.00 . . no
N2 C9 H92 111.00 . . no
P2 C9 H92 111.00 . . no
N2 C9 H91 111.00 . . no
H91 C9 H92 109.00 . . no
C12 C11 H111 120.00 . . no
C10 C11 H111 120.00 . . no
C11 C12 H121 119.00 . . no
C13 C12 H121 119.00 . . no
C12 C13 H131 121.00 . . no
C14 C13 H131 120.00 . . no
C15 C14 H141 119.00 . . no
C13 C14 H141 119.00 . . no
C10 C15 H151 120.00 . . no
C14 C15 H151 120.00 . . no
C16 C17 H171 120.00 . . no
C18 C17 H171 120.00 . . no
C17 C18 H181 120.00 . . no
C19 C18 H181 120.00 . . no
C20 C19 H191 120.00 . . no
C18 C19 H191 120.00 . . no
C19 C20 H201 120.00 . . no
C21 C20 H201 120.00 . . no
C16 C21 H211 120.00 . . no
C20 C21 H211 120.00 . . no
C24 C23 H231 119.00 . . no
C22 C23 H231 120.00 . . no
C25 C24 H241 120.00 . . no
C23 C24 H241 120.00 . . no
C26 C25 H251 120.00 . . no
C24 C25 H251 120.00 . . no
C25 C26 H261 120.00 . . no
C27 C26 H261 120.00 . . no
C22 C27 H271 120.00 . . no
C26 C27 H271 120.00 . . no
C30 C29 H291 120.00 . . no
C28 C29 H291 120.00 . . no
C31 C30 H301 120.00 . . no
C29 C30 H301 120.00 . . no
C32 C31 H311 120.00 . . no
C30 C31 H311 119.00 . . no
C31 C32 H321 120.00 . . no
C33 C32 H321 120.00 . . no
C32 C33 H331 120.00 . . no
C28 C33 H331 120.00 . . no
S1 C34 H343 109.00 . . no
S1 C34 H342 109.00 . . no
H341 C34 H343 110.00 . . no
H341 C34 H342 110.00 . . no
S1 C34 H341 110.00 . . no
H342 C34 H343 109.00 . . no
H351 C35 H353 110.00 . . no
S1 C35 H353 109.00 . . no
S1 C35 H351 110.00 . . no
H352 C35 H353 110.00 . . no
H351 C35 H352 109.00 . . no
S1 C35 H352 109.00 . . no
S2 C36 H363 109.00 . . no
S2 C36 H361 109.00 . . no
S2 C36 H362 109.00 . . no
H362 C36 H363 110.00 . . no
H361 C36 H362 109.00 . . no
H361 C36 H363 109.00 . . no
H372 C37 H373 109.00 . . no
S2 C37 H371 110.00 . . no
S2 C37 H372 110.00 . . no
S2 C37 H373 109.00 . . no
H371 C37 H372 109.00 . . no
H371 C37 H373 109.00 . . no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh1 S1 2.2835(12) . yes
Rh1 P1 2.2898(12) . yes
Rh1 P2 2.2935(12) . yes
Rh1 C1 1.956(4) . yes
S1 O1 1.481(4) . yes
S1 C34 1.785(5) . yes
S1 C35 1.789(5) . yes
S2 C37 1.793(6) . yes
S2 C36 1.796(6) . yes
S2 O2 1.491(4) . yes
P1 C16 1.819(5) . yes
P1 C10 1.828(5) . yes
P1 C8 1.879(4) . yes
P2 C9 1.863(5) . yes
P2 C22 1.832(5) . yes
P2 C28 1.824(5) . yes
P3 F3 1.563(6) . yes
P3 F4 1.595(5) . yes
P3 F3 1.563(6) 2_655 yes
P3 F4 1.595(5) 2_655 yes
P3 F1 1.566(7) . yes
P3 F2 1.554(5) . yes
P4 F5 1.579(3) 2_555 yes
P4 F6 1.565(5) . yes
P4 F6 1.565(6) 2_555 yes
P4 F7 1.561(5) 2_555 yes
P4 F7 1.561(5) . yes
P4 F5 1.579(3) . yes
N1 C1 1.364(5) . yes
N1 C2 1.400(6) . yes
N1 C8 1.447(6) . yes
N2 C9 1.461(6) . yes
N2 C7 1.394(6) . yes
N2 C1 1.358(6) . yes
C2 C3 1.386(6) . no
C2 C7 1.401(6) . no
C3 C4 1.385(7) . no
C4 C5 1.398(8) . no
C5 C6 1.389(8) . no
C6 C7 1.396(7) . no
C10 C11 1.394(7) . no
C10 C15 1.402(7) . no
C11 C12 1.397(7) . no
C12 C13 1.380(7) . no
C13 C14 1.385(8) . no
C14 C15 1.390(7) . no
C16 C17 1.394(7) . no
C16 C21 1.401(6) . no
C17 C18 1.372(7) . no
C18 C19 1.389(8) . no
C19 C20 1.386(7) . no
C20 C21 1.381(7) . no
C22 C23 1.382(7) . no
C22 C27 1.408(7) . no
C23 C24 1.393(7) . no
C24 C25 1.387(7) . no
C25 C26 1.385(8) . no
C26 C27 1.386(7) . no
C28 C33 1.394(6) . no
C28 C29 1.379(7) . no
C29 C30 1.400(8) . no
C30 C31 1.385(9) . no
C31 C32 1.375(8) . no
C32 C33 1.395(7) . no
C3 H31 0.9500 . no
C4 H41 0.9500 . no
C5 H51 0.9500 . no
C6 H61 0.9500 . no
C8 H81 0.9900 . no
C8 H82 0.9900 . no
C9 H91 0.9900 . no
C9 H92 0.9900 . no
C11 H111 0.9500 . no
C12 H121 0.9500 . no
C13 H131 0.9500 . no
C14 H141 0.9500 . no
C15 H151 0.9500 . no
C17 H171 0.9500 . no
C18 H181 0.9500 . no
C19 H191 0.9500 . no
C20 H201 0.9500 . no
C21 H211 0.9500 . no
C23 H231 0.9500 . no
C24 H241 0.9500 . no
C25 H251 0.9500 . no
C26 H261 0.9500 . no
C27 H271 0.9500 . no
C29 H291 0.9500 . no
C30 H301 0.9500 . no
C31 H311 0.9500 . no
C32 H321 0.9500 . no
C33 H331 0.9500 . no
C34 H341 0.9800 . no
C34 H343 0.9800 . no
C34 H342 0.9800 . no
C35 H352 0.9800 . no
C35 H351 0.9800 . no
C35 H353 0.9800 . no
C36 H361 0.9800 . no
C36 H363 0.9800 . no
C36 H362 0.9800 . no
C37 H372 0.9800 . no
C37 H373 0.9800 . no
C37 H371 0.9800 . no
