#------------------------------------------------------------------------------
#$Date: 2019-03-05 09:52:05 +0100 (mar 05 de mar de 2019) $
#$Revision: 213973 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/05/7050500.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_7050500
loop_
_publ_author_name
'Tao, Chi-Hang'
'Wong, Keith Man-Chung'
'Zhu, Nianyong'
'Yam, Vivian Wing-Wah'
_publ_section_title
;
 Versatile precursors for multinuclear platinum(ii) alkynyl
 assembly---synthesis, structural characterization and electrochemical
 studies of luminescent platinum(ii) alkynyl complexes
;
_journal_issue                   1
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              150
_journal_paper_doi               10.1039/b210772b
_journal_volume                  27
_journal_year                    2003
_chemical_formula_moiety         'C50 H30 Pt1 S1'
_chemical_formula_sum            'C44 H55 F3 N3 O5 Pt S'
_chemical_formula_weight         990.06
_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   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                103.65(3)
_cell_angle_beta                 111.31(3)
_cell_angle_gamma                98.96(3)
_cell_formula_units_Z            2
_cell_length_a                   11.259(2)
_cell_length_b                   15.053(3)
_cell_length_c                   15.134(3)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_volume                     2237.9(11)
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.845
_diffrn_measured_fraction_theta_max 0.845
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0461
_diffrn_reflns_av_sigmaI/netI    0.0873
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            13650
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         1.44
_exptl_absorpt_coefficient_mu    3.239
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.469
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1002
_exptl_crystal_size_max          0.6
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         4.948
_refine_diff_density_min         -2.557
_refine_diff_density_rms         0.246
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     476
_refine_ls_number_reflns         6935
_refine_ls_number_restraints     19
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.0968
_refine_ls_R_factor_gt           0.0820
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1661P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2109
_refine_ls_wR_factor_ref         0.2241
_reflns_number_gt                5401
_reflns_number_total             6935
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b210772b.txt
_cod_data_source_block           mar426a
_cod_original_cell_volume        2237.9(7)
_cod_database_code               7050500
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_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
Pt1 Pt 0.28701(4) 0.88948(3) 0.12238(3) 0.0514(2) Uani 1 1 d . . .
N1 N 0.1895(10) 0.7927(7) -0.0157(7) 0.056(2) Uani 1 1 d . . .
N2 N 0.4307(10) 0.8339(8) 0.1100(8) 0.063(3) Uani 1 1 d . . .
N3 N 0.4355(12) 0.9683(8) 0.2549(9) 0.069(3) Uani 1 1 d . . .
C1 C 0.0631(14) 0.7736(10) -0.0758(10) 0.068(3) Uani 1 1 d . . .
H1 H 0.0106 0.8083 -0.0559 0.081 Uiso 1 1 calc R . .
C2 C 0.0066(14) 0.7028(11) -0.1683(11) 0.076(4) Uani 1 1 d . . .
H2 H -0.0830 0.6910 -0.2083 0.091 Uiso 1 1 calc R . .
C3 C 0.0812(13) 0.6489(9) -0.2026(8) 0.058(3) Uani 1 1 d . . .
C4 C 0.2143(12) 0.6723(9) -0.1371(9) 0.063(3) Uani 1 1 d . . .
H4 H 0.2701 0.6401 -0.1555 0.076 Uiso 1 1 calc R . .
C5 C 0.2645(12) 0.7419(9) -0.0463(10) 0.062(3) Uani 1 1 d . . .
C6 C 0.4049(12) 0.7649(9) 0.0286(8) 0.056(3) Uani 1 1 d . . .
C7 C 0.5026(11) 0.7240(9) 0.0220(9) 0.060(3) Uani 1 1 d . . .
H7 H 0.4854 0.6774 -0.0370 0.072 Uiso 1 1 calc R . .
C8 C 0.6242(14) 0.7491(10) 0.0990(10) 0.066(3) Uani 1 1 d . . .
C9 C 0.6524(13) 0.8279(10) 0.1872(10) 0.071(4) Uani 1 1 d . . .
H9 H 0.7358 0.8514 0.2401 0.085 Uiso 1 1 calc R . .
C10 C 0.5470(13) 0.8668(9) 0.1882(9) 0.058(3) Uani 1 1 d . . .
C11 C 0.5571(13) 0.9460(9) 0.2727(9) 0.058(3) Uani 1 1 d . . .
C12 C 0.6627(12) 0.9932(9) 0.3578(9) 0.060(3) Uani 1 1 d . . .
H12 H 0.7403 0.9745 0.3680 0.072 Uiso 1 1 calc R . .
C13 C 0.6650(14) 1.0672(9) 0.4310(9) 0.062(3) Uani 1 1 d . . .
C14 C 0.5458(14) 1.0892(10) 0.4121(11) 0.069(4) Uani 1 1 d . . .
H14 H 0.5411 1.1388 0.4596 0.083 Uiso 1 1 calc R . .
C15 C 0.4348(13) 1.0415(9) 0.3272(9) 0.060(3) Uani 1 1 d . . .
H15 H 0.3568 1.0593 0.3183 0.072 Uiso 1 1 calc R . .
C16 C 0.0241(13) 0.5746(10) -0.3050(9) 0.066(3) Uani 1 1 d . . .
C17 C -0.129(2) 0.5333(19) -0.3445(15) 0.147(10) Uani 1 1 d . . .
H17A H -0.1615 0.4860 -0.4089 0.221 Uiso 1 1 calc R . .
H17B H -0.1714 0.5834 -0.3504 0.221 Uiso 1 1 calc R . .
H17C H -0.1471 0.5052 -0.2986 0.221 Uiso 1 1 calc R . .
C18 C 0.054(2) 0.6261(14) -0.3756(13) 0.120(7) Uani 1 1 d . . .
H18A H 0.0202 0.5820 -0.4420 0.180 Uiso 1 1 calc R . .
H18B H 0.1484 0.6506 -0.3514 0.180 Uiso 1 1 calc R . .
H18C H 0.0135 0.6774 -0.3770 0.180 Uiso 1 1 calc R . .
C19 C 0.097(2) 0.4927(13) -0.2959(15) 0.108(6) Uani 1 1 d . . .
H19A H 0.0611 0.4440 -0.3597 0.162 Uiso 1 1 calc R . .
H19B H 0.0833 0.4661 -0.2475 0.162 Uiso 1 1 calc R . .
H19C H 0.1897 0.5183 -0.2752 0.162 Uiso 1 1 calc R . .
C20 C 0.7348(13) 0.7019(10) 0.0931(10) 0.067(3) Uani 1 1 d . . .
C21 C 0.7607(17) 0.7117(13) 0.0038(13) 0.089(5) Uani 1 1 d . . .
H21A H 0.6797 0.6854 -0.0557 0.133 Uiso 1 1 calc R . .
H21B H 0.8246 0.6783 -0.0029 0.133 Uiso 1 1 calc R . .
H21C H 0.7942 0.7775 0.0135 0.133 Uiso 1 1 calc R . .
C22 C 0.6769(17) 0.5933(12) 0.0781(14) 0.096(5) Uani 1 1 d . . .
H22A H 0.5958 0.5674 0.0187 0.145 Uiso 1 1 calc R . .
H22B H 0.6604 0.5883 0.1349 0.145 Uiso 1 1 calc R . .
H22C H 0.7397 0.5587 0.0717 0.145 Uiso 1 1 calc R . .
C23 C 0.8624(16) 0.7412(13) 0.1854(14) 0.106(7) Uani 1 1 d . . .
H23A H 0.8470 0.7341 0.2420 0.159 Uiso 1 1 calc R . .
H23B H 0.8966 0.8072 0.1961 0.159 Uiso 1 1 calc R . .
H23C H 0.9253 0.7074 0.1770 0.159 Uiso 1 1 calc R . .
C24 C 0.7833(14) 1.1217(10) 0.5259(10) 0.071(4) Uani 1 1 d . . .
C25 C 0.7587(18) 1.1191(17) 0.6167(12) 0.115(7) Uani 1 1 d . . .
H25A H 0.8368 1.1552 0.6761 0.173 Uiso 1 1 calc R . .
H25B H 0.7372 1.0546 0.6160 0.173 Uiso 1 1 calc R . .
H25C H 0.6865 1.1459 0.6160 0.173 Uiso 1 1 calc R . .
C26 C 0.817(2) 1.2235(12) 0.5294(14) 0.115(7) Uani 1 1 d . . .
H26A H 0.8926 1.2594 0.5903 0.172 Uiso 1 1 calc R . .
H26B H 0.7429 1.2490 0.5269 0.172 Uiso 1 1 calc R . .
H26C H 0.8357 1.2270 0.4732 0.172 Uiso 1 1 calc R . .
C27 C 0.900(2) 1.0837(16) 0.5355(14) 0.120(8) Uani 1 1 d . . .
H27A H 0.9733 1.1209 0.5975 0.181 Uiso 1 1 calc R . .
H27B H 0.9227 1.0865 0.4808 0.181 Uiso 1 1 calc R . .
H27C H 0.8789 1.0190 0.5343 0.181 Uiso 1 1 calc R . .
C28 C 0.1421(15) 0.9436(12) 0.1372(11) 0.073(4) Uani 1 1 d . . .
C29 C 0.0481(14) 0.9678(9) 0.1419(10) 0.062(3) Uani 1 1 d . . .
C30 C -0.0623(13) 1.0019(10) 0.1470(11) 0.067(3) Uani 1 1 d . . .
C31 C -0.0458(14) 1.0678(11) 0.2392(10) 0.072(4) Uani 1 1 d . . .
H31 H 0.0354 1.0879 0.2945 0.086 Uiso 1 1 calc R . .
C32 C -0.1480(16) 1.1001(11) 0.2451(11) 0.074(4) Uani 1 1 d . . .
H32 H -0.1374 1.1385 0.3068 0.088 Uiso 1 1 calc R . .
C33 C -0.2658(14) 1.0797(11) 0.1658(11) 0.069(4) Uani 1 1 d . . .
C34 C -0.2855(14) 1.0118(11) 0.0726(10) 0.067(3) Uani 1 1 d . . .
H34 H -0.3674 0.9910 0.0180 0.080 Uiso 1 1 calc R . .
C35 C -0.1815(14) 0.9792(10) 0.0668(10) 0.068(3) Uani 1 1 d . . .
H35 H -0.1920 0.9398 0.0055 0.082 Uiso 1 1 calc R . .
C36 C -0.3763(16) 1.1151(11) 0.1709(11) 0.072(4) Uani 1 1 d . . .
C37 C -0.4651(17) 1.1466(14) 0.1782(13) 0.089(5) Uani 1 1 d . . .
H37 H -0.5339 1.1711 0.1838 0.106 Uiso 1 1 calc R . .
O4 O 0.4346(17) 0.5966(13) 0.7768(12) 0.141(6) Uani 1 1 d . . .
C39 C 0.416(3) 0.617(3) 0.617(2) 0.209(16) Uani 1 1 d . . .
H39A H 0.3392 0.6377 0.6154 0.313 Uiso 1 1 calc R . .
H39B H 0.3904 0.5619 0.5593 0.313 Uiso 1 1 calc R . .
H39C H 0.4795 0.6663 0.6159 0.313 Uiso 1 1 calc R . .
C40 C 0.4780(19) 0.5897(15) 0.7139(14) 0.102(6) Uani 1 1 d . . .
C41 C 0.593(3) 0.563(2) 0.717(3) 0.201(15) Uani 1 1 d . . .
H41A H 0.6297 0.5435 0.7745 0.302 Uiso 1 1 calc R . .
H41B H 0.6558 0.6161 0.7201 0.302 Uiso 1 1 calc R . .
H41C H 0.5710 0.5115 0.6574 0.302 Uiso 1 1 calc R . .
C42 C 0.020(16) 0.540(14) 0.038(11) 0.49(14) Uani 1 1 d . . .
H42A H -0.0320 0.5326 0.0764 0.587 Uiso 1 1 calc R . .
H42B H -0.0002 0.5910 0.0113 0.587 Uiso 1 1 calc R . .
C43 C 0.151(6) 0.568(4) 0.103(4) 0.28(3) Uani 1 1 d . . .
H43A H 0.1635 0.5139 0.1258 0.336 Uiso 1 1 calc R . .
H43B H 0.1956 0.5684 0.0594 0.336 Uiso 1 1 calc R . .
C44 C 0.228(4) 0.641(2) 0.184(3) 0.217(18) Uani 1 1 d . . .
H44A H 0.3160 0.6325 0.2092 0.326 Uiso 1 1 calc R . .
H44B H 0.1945 0.6445 0.2338 0.326 Uiso 1 1 calc R . .
H44C H 0.2314 0.6985 0.1666 0.326 Uiso 1 1 calc R . .
S1 S 0.6741(11) 0.7568(7) 0.5160(7) 0.210(5) Uani 1 1 d D . .
O1 O 0.734(3) 0.7408(19) 0.6103(18) 0.275(14) Uiso 1 1 d D . .
O2 O 0.528(2) 0.7093(19) 0.456(2) 0.243(12) Uiso 1 1 d D . .
O3 O 0.703(3) 0.8608(18) 0.521(2) 0.42(3) Uiso 1 1 d D . .
F1 F 0.869(2) 0.754(2) 0.481(2) 0.362(11) Uiso 1 1 d D . .
F2 F 0.730(3) 0.6224(18) 0.426(2) 0.362(11) Uiso 1 1 d D . .
F3 F 0.692(3) 0.722(2) 0.3538(18) 0.362(11) Uiso 1 1 d D . .
O5 O 0.7500(13) 0.8216(9) 0.8019(10) 0.106(4) Uani 1 1 d . . .
C38 C 0.742(2) 0.7130(15) 0.4434(15) 0.362(11) 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
Pt Pt -1.7033 8.3905 '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'
C C 0.0033 0.0016 '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'
O O 0.0106 0.0060 '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'
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
N2 Pt1 C28 178.5(5) . . ?
N2 Pt1 N3 80.8(4) . . ?
C28 Pt1 N3 98.9(5) . . ?
N2 Pt1 N1 79.4(4) . . ?
C28 Pt1 N1 101.0(5) . . ?
N3 Pt1 N1 160.2(5) . . ?
C1 N1 C5 118.3(11) . . ?
C1 N1 Pt1 127.1(9) . . ?
C5 N1 Pt1 114.5(8) . . ?
C6 N2 C10 124.0(11) . . ?
C6 N2 Pt1 119.3(8) . . ?
C10 N2 Pt1 116.6(9) . . ?
C15 N3 C11 116.3(12) . . ?
C15 N3 Pt1 128.8(10) . . ?
C11 N3 Pt1 114.9(8) . . ?
N1 C1 C2 121.6(12) . . ?
C1 C2 C3 121.7(12) . . ?
C4 C3 C2 114.6(11) . . ?
C4 C3 C16 122.4(11) . . ?
C2 C3 C16 122.9(11) . . ?
C5 C4 C3 121.3(11) . . ?
N1 C5 C4 122.5(11) . . ?
N1 C5 C6 114.7(11) . . ?
C4 C5 C6 122.7(11) . . ?
N2 C6 C7 119.1(11) . . ?
N2 C6 C5 112.0(10) . . ?
C7 C6 C5 128.9(11) . . ?
C8 C7 C6 122.1(12) . . ?
C7 C8 C9 117.8(12) . . ?
C7 C8 C20 122.6(11) . . ?
C9 C8 C20 119.5(12) . . ?
C10 C9 C8 116.6(12) . . ?
N2 C10 C9 120.1(12) . . ?
N2 C10 C11 116.0(11) . . ?
C9 C10 C11 123.9(11) . . ?
C12 C11 N3 120.5(12) . . ?
C12 C11 C10 127.9(12) . . ?
N3 C11 C10 111.6(11) . . ?
C11 C12 C13 124.4(13) . . ?
C12 C13 C14 114.6(13) . . ?
C12 C13 C24 124.9(13) . . ?
C14 C13 C24 120.5(12) . . ?
C15 C14 C13 122.9(13) . . ?
C14 C15 N3 121.3(13) . . ?
C3 C16 C18 105.9(12) . . ?
C3 C16 C17 111.6(13) . . ?
C18 C16 C17 109.9(15) . . ?
C3 C16 C19 107.8(11) . . ?
C18 C16 C19 111.1(15) . . ?
C17 C16 C19 110.4(15) . . ?
C23 C20 C21 109.1(15) . . ?
C23 C20 C8 114.1(12) . . ?
C21 C20 C8 109.4(11) . . ?
C23 C20 C22 108.9(13) . . ?
C21 C20 C22 110.5(13) . . ?
C8 C20 C22 104.7(12) . . ?
C27 C24 C13 112.5(13) . . ?
C27 C24 C26 109.6(16) . . ?
C13 C24 C26 108.7(13) . . ?
C27 C24 C25 105.9(15) . . ?
C13 C24 C25 112.0(13) . . ?
C26 C24 C25 108.1(15) . . ?
C29 C28 Pt1 174.0(14) . . ?
C28 C29 C30 176.8(16) . . ?
C35 C30 C29 123.5(13) . . ?
C35 C30 C31 117.5(13) . . ?
C29 C30 C31 119.0(12) . . ?
C32 C31 C30 119.6(13) . . ?
C31 C32 C33 123.4(13) . . ?
C32 C33 C36 124.0(14) . . ?
C32 C33 C34 117.6(13) . . ?
C36 C33 C34 118.2(13) . . ?
C35 C34 C33 118.5(13) . . ?
C34 C35 C30 122.9(13) . . ?
C37 C36 C33 177.8(19) . . ?
O4 C40 C41 128(2) . . ?
O4 C40 C39 124(2) . . ?
C41 C40 C39 109(2) . . ?
C42 C42 C43 117(8) 2_565 . ?
C44 C43 C42 136(9) . . ?
O1 S1 O2 116.3(14) . . ?
O1 S1 O3 114.4(13) . . ?
O2 S1 O3 109.8(12) . . ?
O1 S1 C38 108.9(13) . . ?
O2 S1 C38 104.1(11) . . ?
O3 S1 C38 101.7(14) . . ?
F2 C38 F3 104.0(19) . . ?
F2 C38 F1 105.9(19) . . ?
F3 C38 F1 105.5(19) . . ?
F2 C38 S1 114.3(17) . . ?
F3 C38 S1 114.0(17) . . ?
F1 C38 S1 112.2(17) . . ?
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
Pt1 N2 1.980(11) . ?
Pt1 C28 1.992(15) . ?
Pt1 N3 2.012(12) . ?
Pt1 N1 2.023(10) . ?
N1 C1 1.321(17) . ?
N1 C5 1.352(16) . ?
N2 C6 1.312(16) . ?
N2 C10 1.326(16) . ?
N3 C15 1.361(16) . ?
N3 C11 1.406(17) . ?
C1 C2 1.391(19) . ?
C2 C3 1.402(19) . ?
C3 C4 1.394(17) . ?
C3 C16 1.516(16) . ?
C4 C5 1.371(17) . ?
C5 C6 1.498(16) . ?
C6 C7 1.364(17) . ?
C7 C8 1.359(18) . ?
C8 C9 1.455(18) . ?
C8 C20 1.546(18) . ?
C9 C10 1.406(18) . ?
C10 C11 1.484(17) . ?
C11 C12 1.330(17) . ?
C12 C13 1.363(17) . ?
C13 C14 1.38(2) . ?
C13 C24 1.491(18) . ?
C14 C15 1.359(19) . ?
C16 C18 1.56(2) . ?
C16 C17 1.56(3) . ?
C16 C19 1.59(2) . ?
C20 C23 1.500(19) . ?
C20 C21 1.52(2) . ?
C20 C22 1.59(2) . ?
C24 C27 1.49(2) . ?
C24 C26 1.50(2) . ?
C24 C25 1.51(2) . ?
C28 C29 1.192(19) . ?
C29 C30 1.437(19) . ?
C30 C35 1.366(19) . ?
C30 C31 1.438(19) . ?
C31 C32 1.34(2) . ?
C32 C33 1.36(2) . ?
C33 C36 1.45(2) . ?
C33 C34 1.45(2) . ?
C34 C35 1.361(19) . ?
C36 C37 1.20(2) . ?
O4 C40 1.21(2) . ?
C39 C40 1.56(3) . ?
C40 C41 1.40(3) . ?
C42 C42 1.3(4) 2_565 ?
C42 C43 1.36(17) . ?
C43 C44 1.32(5) . ?
S1 O1 1.44(2) . ?
S1 O2 1.51(2) . ?
S1 O3 1.52(2) . ?
S1 C38 1.63(2) . ?
F1 C38 1.32(2) . ?
F2 C38 1.30(2) . ?
F3 C38 1.32(2) . ?
