#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/74/4307463.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_4307463
loop_
_publ_author_name
'Claudio Pettinari'
'Riccardo Pettinari'
'Fabio Marchetti'
'Alceo Macchioni'
'Daniele Zuccaccia'
'Brian W. Skelton'
'Allan H. White'
_publ_contact_author_address
;
   Department of Chemistry
   University of Western Australia
   35 Stirling Highway
   Crawley
   Western Australia 6009
   Australia
;
_publ_contact_author_email       bws@crystal.uwa.edu.au
_publ_contact_author_fax         (+61)_08_6488_1118
_publ_contact_author_name        'Skelton, B. W.'
_publ_contact_author_phone       (+61)_08_6488_7107
_publ_section_title
;
Synthesis, Reactivity, Spectroscopic Characterization, X-ray Structures,
PGSE, and NOE NMR Studies of (η5-C5Me5)-Rhodium and -Iridium Derivatives
Containing Bis(pyrazolyl)alkane Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              896
_journal_page_last               906
_journal_paper_doi               10.1021/ic061928g
_journal_volume                  46
_journal_year                    2007
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C17 H25 N4 O Rh, 2(C F3 O3 S)'
_chemical_formula_sum            'C19 H25 F6 N4 O7 Rh S2'
_chemical_formula_weight         702.46
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2006-08-27T14:16:20-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 105.891(17)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.292(3)
_cell_length_b                   10.2940(10)
_cell_length_c                   14.626(4)
_cell_measurement_reflns_used    27335
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      38.0994
_cell_measurement_theta_min      2.5319
_cell_volume                     2648.8(9)
_computing_cell_refinement
;
        CrysAlis RED, Oxford Diffraction Ltd.,
        Version 1.171.30.5 (release 12-06-2006 CrysAlis171 .NET)
        (compiled Jun 12 2006,17:01:16)
;
_computing_data_collection
;
        CrysAlis CCD, Oxford Diffraction Ltd.,
        Version 1.171.30.5 (release 12-06-2006 CrysAlis171 .NET)
        (compiled Jun 12 2006,17:01:16)
;
_computing_data_reduction
;
        CrysAlis RED, Oxford Diffraction Ltd.,
        Version 1.171.30.5 (release 12-06-2006 CrysAlis171 .NET)
        (compiled Jun 12 2006,17:01:16)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 16.0009
_diffrn_measured_fraction_theta_full 0.99
_diffrn_measured_fraction_theta_max 0.99
_diffrn_measurement_device_type
;
 Oxford Diffraction Xcalibur diffractometer
;
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0377539961
_diffrn_orient_matrix_UB_12      -0.0205282127
_diffrn_orient_matrix_UB_13      -0.0220633673
_diffrn_orient_matrix_UB_21      0.0123962
_diffrn_orient_matrix_UB_22      -0.0655935546
_diffrn_orient_matrix_UB_23      0.0030067828
_diffrn_orient_matrix_UB_31      -0.0069783139
_diffrn_orient_matrix_UB_32      -0.0056516857
_diffrn_orient_matrix_UB_33      0.0451941197
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0301
_diffrn_reflns_av_unetI/netI     0.0442
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            44821
_diffrn_reflns_theta_full        38.
_diffrn_reflns_theta_max         38.
_diffrn_reflns_theta_min         2.54
_exptl_absorpt_coefficient_mu    0.891
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.93099
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
        CrysAlis RED, Oxford Diffraction Ltd.,
        Version 1.171.30.5 (release 12-06-2006 CrysAlis171 .NET)
        (compiled Jun 12 2006,17:01:16)
        Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.761
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       hexagonal_prism
_exptl_crystal_F_000             1416
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.19
_refine_diff_density_max         2.909
_refine_diff_density_min         -0.753
_refine_diff_density_rms         0.09
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.00(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     366
_refine_ls_number_reflns         13535
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.009
_refine_ls_R_factor_all          0.0337
_refine_ls_R_factor_gt           0.0274
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0314P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0579
_refine_ls_wR_factor_ref         0.0598
_reflns_number_gt                11410
_reflns_number_total             13535
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            ic061928gsi20061205_040617_8.cif
_cod_data_source_block           cprhtf
_cod_original_sg_symbol_Hall     c_-2yc
_cod_database_code               4307463
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z+1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.500003(6) 0.467076(9) 0.500006(6) 0.01164(2) Uani 1 1 d . . .
O1 O 0.55008(7) 0.52136(11) 0.64844(8) 0.01479(19) Uani 1 1 d D . .
N11 N 0.37330(8) 0.31916(13) 0.55752(9) 0.0161(2) Uani 1 1 d . . .
N12 N 0.44801(8) 0.31749(13) 0.55909(9) 0.0154(2) Uani 1 1 d . . .
C13 C 0.47754(11) 0.21475(16) 0.61153(12) 0.0213(3) Uani 1 1 d . . .
H13 H 0.5293 0.1889 0.6255 0.026 Uiso 1 1 calc R . .
C14 C 0.42176(11) 0.15013(17) 0.64328(13) 0.0238(3) Uani 1 1 d . . .
H14 H 0.428 0.0742 0.6816 0.029 Uiso 1 1 calc R . .
C15 C 0.35654(10) 0.21927(17) 0.60754(12) 0.0209(3) Uani 1 1 d . . .
H15 H 0.3081 0.2003 0.6164 0.025 Uiso 1 1 calc R . .
N21 N 0.34697(7) 0.54396(13) 0.53028(10) 0.0158(2) Uani 1 1 d . . .
N22 N 0.41249(8) 0.59147(14) 0.51710(10) 0.0156(2) Uani 1 1 d . . .
C23 C 0.41787(10) 0.71466(16) 0.54858(12) 0.0188(3) Uani 1 1 d . . .
H23 H 0.4586 0.772 0.5487 0.023 Uiso 1 1 calc R . .
C24 C 0.35508(10) 0.74625(18) 0.58102(12) 0.0237(3) Uani 1 1 d . . .
H24 H 0.3447 0.8271 0.6062 0.028 Uiso 1 1 calc R . .
C25 C 0.31147(10) 0.6360(2) 0.56894(12) 0.0224(3) Uani 1 1 d . . .
H25 H 0.2648 0.6258 0.5848 0.027 Uiso 1 1 calc R . .
C10 C 0.32282(9) 0.41395(17) 0.49950(12) 0.0197(3) Uani 1 1 d . . .
H10A H 0.3226 0.4029 0.4322 0.024 Uiso 1 1 calc R . .
H10B H 0.2704 0.3998 0.5042 0.024 Uiso 1 1 calc R . .
C101 C 0.48127(9) 0.48629(16) 0.35056(10) 0.0158(3) Uani 1 1 d . . .
C102 C 0.53951(9) 0.57785(15) 0.39890(11) 0.0155(3) Uani 1 1 d . . .
C103 C 0.60212(9) 0.50502(16) 0.45590(11) 0.0148(3) Uani 1 1 d . . .
C104 C 0.58234(9) 0.36891(16) 0.44575(11) 0.0155(3) Uani 1 1 d . . .
C105 C 0.50869(9) 0.35773(15) 0.37833(10) 0.0155(3) Uani 1 1 d . . .
C106 C 0.40829(10) 0.52228(18) 0.28058(12) 0.0226(3) Uani 1 1 d . . .
H10C H 0.417 0.5359 0.2181 0.034 Uiso 1 1 calc R . .
H10D H 0.3886 0.6024 0.3012 0.034 Uiso 1 1 calc R . .
H10E H 0.3713 0.4522 0.2764 0.034 Uiso 1 1 calc R . .
C107 C 0.53744(12) 0.72205(16) 0.38532(12) 0.0229(3) Uani 1 1 d . . .
H10F H 0.5671 0.764 0.4439 0.034 Uiso 1 1 calc R . .
H10G H 0.4847 0.7524 0.3701 0.034 Uiso 1 1 calc R . .
H10H H 0.5592 0.7442 0.3331 0.034 Uiso 1 1 calc R . .
C108 C 0.67310(9) 0.56018(17) 0.51830(12) 0.0189(3) Uani 1 1 d . . .
H10I H 0.7063 0.5881 0.4795 0.028 Uiso 1 1 calc R . .
H10J H 0.6992 0.494 0.5638 0.028 Uiso 1 1 calc R . .
H10K H 0.6608 0.6349 0.5529 0.028 Uiso 1 1 calc R . .
C109 C 0.63295(10) 0.25848(16) 0.48941(12) 0.0209(3) Uani 1 1 d . . .
H10L H 0.6019 0.1821 0.4932 0.031 Uiso 1 1 calc R . .
H10M H 0.663 0.2828 0.5535 0.031 Uiso 1 1 calc R . .
H10N H 0.6672 0.2381 0.4502 0.031 Uiso 1 1 calc R . .
C100 C 0.46844(10) 0.23422(17) 0.34319(13) 0.0223(3) Uani 1 1 d . . .
H10O H 0.4135 0.2495 0.3242 0.033 Uiso 1 1 calc R . .
H10P H 0.481 0.1689 0.3939 0.033 Uiso 1 1 calc R . .
H10Q H 0.4844 0.203 0.2883 0.033 Uiso 1 1 calc R . .
S1 S 0.74524(2) 0.38771(4) 0.79288(3) 0.01733(7) Uani 1 1 d . . .
O11 O 0.66469(7) 0.40856(13) 0.77978(9) 0.0228(2) Uani 1 1 d . . .
O12 O 0.78144(8) 0.31167(13) 0.87548(9) 0.0260(3) Uani 1 1 d . . .
O13 O 0.76561(9) 0.35575(16) 0.70723(10) 0.0310(3) Uani 1 1 d . . .
C1 C 0.78604(11) 0.54849(19) 0.82270(13) 0.0254(3) Uani 1 1 d . . .
F11 F 0.75932(8) 0.63242(12) 0.75099(10) 0.0381(3) Uani 1 1 d . . .
F12 F 0.76880(9) 0.59795(13) 0.89837(10) 0.0419(3) Uani 1 1 d . . .
F13 F 0.86153(8) 0.54711(15) 0.84005(13) 0.0461(4) Uani 1 1 d . . .
S2 S 0.62861(3) 0.88945(4) 0.64482(3) 0.02077(8) Uani 1 1 d . . .
O21 O 0.69661(9) 0.87747(16) 0.61504(12) 0.0360(3) Uani 1 1 d . . .
O22 O 0.60205(9) 0.76935(13) 0.67540(12) 0.0324(3) Uani 1 1 d . . .
O23 O 0.56956(11) 0.96773(15) 0.58561(12) 0.0401(4) Uani 1 1 d . . .
C2 C 0.65881(14) 0.98007(19) 0.75574(15) 0.0322(4) Uani 1 1 d . . .
F21 F 0.60183(11) 0.99885(17) 0.79375(12) 0.0533(4) Uani 1 1 d . . .
F22 F 0.68448(13) 1.09724(15) 0.73901(13) 0.0691(6) Uani 1 1 d . . .
F23 F 0.71426(10) 0.92082(18) 0.81935(11) 0.0527(4) Uani 1 1 d . . .
H1A H 0.5668 0.6028 0.6507 0.036(7) Uiso 1 1 d D . .
H1B H 0.5890 0.4749 0.683 0.046(9) Uiso 1 1 d D . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 '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'
O O 0.0106 0.006 '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'
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'
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
N12 Rh1 N22 87.31(5) . . ?
N12 Rh1 C101 121.58(6) . . ?
N22 Rh1 C101 98.67(6) . . ?
N12 Rh1 C104 104.40(6) . . ?
N22 Rh1 C104 164.05(5) . . ?
C101 Rh1 C104 66.07(6) . . ?
N12 Rh1 C102 160.65(5) . . ?
N22 Rh1 C102 99.69(6) . . ?
C101 Rh1 C102 39.77(6) . . ?
C104 Rh1 C102 65.84(6) . . ?
N12 Rh1 C105 95.77(6) . . ?
N22 Rh1 C105 130.13(6) . . ?
C101 Rh1 C105 39.20(6) . . ?
C104 Rh1 C105 39.25(6) . . ?
C102 Rh1 C105 65.91(6) . . ?
N12 Rh1 C103 140.52(6) . . ?
N22 Rh1 C103 131.74(6) . . ?
C101 Rh1 C103 65.65(6) . . ?
C104 Rh1 C103 39.15(6) . . ?
C102 Rh1 C103 38.71(6) . . ?
C105 Rh1 C103 65.38(6) . . ?
N12 Rh1 O1 83.88(5) . . ?
N22 Rh1 O1 81.54(5) . . ?
C101 Rh1 O1 154.54(5) . . ?
C104 Rh1 O1 110.07(6) . . ?
C102 Rh1 O1 114.87(5) . . ?
C105 Rh1 O1 148.33(5) . . ?
C103 Rh1 O1 95.07(5) . . ?
Rh1 O1 H1A 108.9 . . ?
Rh1 O1 H1B 118 . . ?
H1A O1 H1B 105.8 . . ?
C15 N11 N12 111.02(14) . . ?
C15 N11 C10 129.07(14) . . ?
N12 N11 C10 119.66(13) . . ?
C13 N12 N11 105.48(13) . . ?
C13 N12 Rh1 131.08(12) . . ?
N11 N12 Rh1 123.09(10) . . ?
N12 C13 C14 110.56(16) . . ?
N12 C13 H13 124.7 . . ?
C14 C13 H13 124.7 . . ?
C15 C14 C13 105.39(15) . . ?
C15 C14 H14 127.3 . . ?
C13 C14 H14 127.3 . . ?
N11 C15 C14 107.55(15) . . ?
N11 C15 H15 126.2 . . ?
C14 C15 H15 126.2 . . ?
N22 N21 C25 110.49(15) . . ?
N22 N21 C10 119.82(13) . . ?
C25 N21 C10 129.60(15) . . ?
C23 N22 N21 106.04(13) . . ?
C23 N22 Rh1 128.65(12) . . ?
N21 N22 Rh1 121.65(10) . . ?
N22 C23 C24 110.28(16) . . ?
N22 C23 H23 124.9 . . ?
C24 C23 H23 124.9 . . ?
C25 C24 C23 105.49(15) . . ?
C25 C24 H24 127.3 . . ?
C23 C24 H24 127.3 . . ?
N21 C25 C24 107.69(15) . . ?
N21 C25 H25 126.2 . . ?
C24 C25 H25 126.2 . . ?
N21 C10 N11 110.54(13) . . ?
N21 C10 H10A 109.5 . . ?
N11 C10 H10A 109.5 . . ?
N21 C10 H10B 109.5 . . ?
N11 C10 H10B 109.5 . . ?
H10A C10 H10B 108.1 . . ?
C105 C101 C102 107.93(14) . . ?
C105 C101 C106 127.03(15) . . ?
C102 C101 C106 124.95(15) . . ?
C105 C101 Rh1 71.20(8) . . ?
C102 C101 Rh1 70.72(8) . . ?
C106 C101 Rh1 126.24(12) . . ?
C103 C102 C101 107.88(14) . . ?
C103 C102 C107 125.75(15) . . ?
C101 C102 C107 126.18(15) . . ?
C103 C102 Rh1 71.72(9) . . ?
C101 C102 Rh1 69.50(8) . . ?
C107 C102 Rh1 128.18(11) . . ?
C102 C103 C104 108.09(14) . . ?
C102 C103 C108 125.83(15) . . ?
C104 C103 C108 126.01(15) . . ?
C102 C103 Rh1 69.57(9) . . ?
C104 C103 Rh1 69.18(9) . . ?
C108 C103 Rh1 124.49(11) . . ?
C105 C104 C103 107.99(14) . . ?
C105 C104 C109 125.86(15) . . ?
C103 C104 C109 125.84(15) . . ?
C105 C104 Rh1 70.73(9) . . ?
C103 C104 Rh1 71.67(9) . . ?
C109 C104 Rh1 128.15(11) . . ?
C101 C105 C104 108.02(14) . . ?
C101 C105 C100 126.08(15) . . ?
C104 C105 C100 125.90(15) . . ?
C101 C105 Rh1 69.61(8) . . ?
C104 C105 Rh1 70.02(9) . . ?
C100 C105 Rh1 126.29(11) . . ?
C101 C106 H10C 109.5 . . ?
C101 C106 H10D 109.5 . . ?
H10C C106 H10D 109.5 . . ?
C101 C106 H10E 109.5 . . ?
H10C C106 H10E 109.5 . . ?
H10D C106 H10E 109.5 . . ?
C102 C107 H10F 109.5 . . ?
C102 C107 H10G 109.5 . . ?
H10F C107 H10G 109.5 . . ?
C102 C107 H10H 109.5 . . ?
H10F C107 H10H 109.5 . . ?
H10G C107 H10H 109.5 . . ?
C103 C108 H10I 109.5 . . ?
C103 C108 H10J 109.5 . . ?
H10I C108 H10J 109.5 . . ?
C103 C108 H10K 109.5 . . ?
H10I C108 H10K 109.5 . . ?
H10J C108 H10K 109.5 . . ?
C104 C109 H10L 109.5 . . ?
C104 C109 H10M 109.5 . . ?
H10L C109 H10M 109.5 . . ?
C104 C109 H10N 109.5 . . ?
H10L C109 H10N 109.5 . . ?
H10M C109 H10N 109.5 . . ?
C105 C100 H10O 109.5 . . ?
C105 C100 H10P 109.5 . . ?
H10O C100 H10P 109.5 . . ?
C105 C100 H10Q 109.5 . . ?
H10O C100 H10Q 109.5 . . ?
H10P C100 H10Q 109.5 . . ?
O13 S1 O12 115.90(9) . . ?
O13 S1 O11 114.52(9) . . ?
O12 S1 O11 114.14(8) . . ?
O13 S1 C1 103.28(9) . . ?
O12 S1 C1 103.25(9) . . ?
O11 S1 C1 103.45(9) . . ?
F12 C1 F13 108.32(18) . . ?
F12 C1 F11 106.53(17) . . ?
F13 C1 F11 106.96(16) . . ?
F12 C1 S1 111.84(13) . . ?
F13 C1 S1 111.80(14) . . ?
F11 C1 S1 111.12(14) . . ?
O21 S2 O23 116.01(11) . . ?
O21 S2 O22 114.50(9) . . ?
O23 S2 O22 114.01(11) . . ?
O21 S2 C2 103.79(11) . . ?
O23 S2 C2 104.17(11) . . ?
O22 S2 C2 102.03(9) . . ?
F23 C2 F21 108.21(19) . . ?
F23 C2 F22 107.7(2) . . ?
F21 C2 F22 107.5(2) . . ?
F23 C2 S2 112.18(16) . . ?
F21 C2 S2 111.57(16) . . ?
F22 C2 S2 109.52(15) . . ?
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 N12 2.1148(13) . ?
Rh1 N22 2.1175(13) . ?
Rh1 C101 2.1270(16) . ?
Rh1 C104 2.1386(15) . ?
Rh1 C102 2.1435(15) . ?
Rh1 C105 2.1481(15) . ?
Rh1 C103 2.1720(16) . ?
Rh1 O1 2.1853(12) . ?
O1 H1A 0.890 . ?
O1 H1B 0.889 . ?
N11 C15 1.345(2) . ?
N11 N12 1.3607(19) . ?
N11 C10 1.448(2) . ?
N12 C13 1.331(2) . ?
C13 C14 1.400(2) . ?
C13 H13 0.95 . ?
C14 C15 1.364(3) . ?
C14 H14 0.95 . ?
C15 H15 0.95 . ?
N21 N22 1.3562(19) . ?
N21 C25 1.356(2) . ?
N21 C10 1.442(2) . ?
N22 C23 1.343(2) . ?
C23 C24 1.396(2) . ?
C23 H23 0.95 . ?
C24 C25 1.371(3) . ?
C24 H24 0.95 . ?
C25 H25 0.95 . ?
C10 H10A 0.99 . ?
C10 H10B 0.99 . ?
C101 C105 1.434(2) . ?
C101 C102 1.453(2) . ?
C101 C106 1.489(2) . ?
C102 C103 1.430(2) . ?
C102 C107 1.497(2) . ?
C103 C104 1.445(2) . ?
C103 C108 1.481(2) . ?
C104 C105 1.440(2) . ?
C104 C109 1.494(2) . ?
C105 C100 1.488(2) . ?
C106 H10C 0.98 . ?
C106 H10D 0.98 . ?
C106 H10E 0.98 . ?
C107 H10F 0.98 . ?
C107 H10G 0.98 . ?
C107 H10H 0.98 . ?
C108 H10I 0.98 . ?
C108 H10J 0.98 . ?
C108 H10K 0.98 . ?
C109 H10L 0.98 . ?
C109 H10M 0.98 . ?
C109 H10N 0.98 . ?
C100 H10O 0.98 . ?
C100 H10P 0.98 . ?
C100 H10Q 0.98 . ?
S1 O13 1.4394(13) . ?
S1 O12 1.4396(13) . ?
S1 O11 1.4488(14) . ?
S1 C1 1.819(2) . ?
C1 F12 1.332(2) . ?
C1 F13 1.334(3) . ?
C1 F11 1.343(2) . ?
S2 O21 1.4314(16) . ?
S2 O23 1.4330(16) . ?
S2 O22 1.4435(15) . ?
S2 C2 1.821(2) . ?
C2 F23 1.323(3) . ?
C2 F21 1.323(3) . ?
C2 F22 1.341(2) . ?
