#------------------------------------------------------------------------------
#$Date: 2016-02-20 18:35:30 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176787 $
#$URL: svn://www.crystallography.net/cod/cif/2/21/14/2211495.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2211495
loop_
_publ_author_name
'Song, Rui-Feng'
'Wang, Yu-Hong'
_publ_section_title
;
 Bis[8-(4-pyridylsulfanylmethyl-κN)quinoline]silver(I)
 trifluoromethanesulfonate
;
_journal_coeditor_code           KP2068
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m3546
_journal_page_last               m3547
_journal_paper_doi               10.1107/S1600536806049786
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Ag (C15 H12 N2 S)2] C F3 S O3'
_chemical_formula_moiety         'C30 H24 Ag N4 S2 +, C F3 O3 S -'
_chemical_formula_sum            'C31 H24 Ag F3 N4 O3 S3'
_chemical_formula_weight         761.59
_chemical_name_systematic
;
Bis[8-(4-pyridylsulfanylmethyl-\kN)quinoline]silver(I)
trifluoromethanesulfonate
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 107.991(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   24.851(8)
_cell_length_b                   9.276(3)
_cell_length_c                   14.091(4)
_cell_measurement_reflns_used    907
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.50
_cell_measurement_theta_min      3.04
_cell_volume                     3089.4(17)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SAINT (Bruker, 1999)'
_computing_molecular_graphics    'SHELXTL (Bruker, 1998)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD area-detector'
_diffrn_measurement_method       'φ and ω'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0477
_diffrn_reflns_av_sigmaI/netI    0.0619
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            8559
_diffrn_reflns_theta_full        26.46
_diffrn_reflns_theta_max         26.46
_diffrn_reflns_theta_min         2.36
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.914
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8912
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1998)'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.637
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1536
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.556
_refine_diff_density_min         -0.388
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.996
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     222
_refine_ls_number_reflns         3182
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.996
_refine_ls_R_factor_all          0.1085
_refine_ls_R_factor_gt           0.0478
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.035P)²+2.1514P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0841
_refine_ls_wR_factor_ref         0.0998
_reflns_number_gt                1786
_reflns_number_total             3182
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            kp2068.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               2211495
_cod_database_fobs_code          2211495
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'
'-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_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
Ag Ag1 0.5000 -0.00800(5) -0.2500 0.0726(2) Uani d S 1
S S1 0.35979(5) -0.04049(12) 0.08243(8) 0.0663(3) Uani d . 1
N N1 0.45310(13) -0.0219(4) -0.1468(2) 0.0551(8) Uani d . 1
N N2 0.20630(17) 0.0252(4) 0.0195(3) 0.0715(10) Uani d . 1
C C1 0.41510(17) 0.0795(5) -0.1457(3) 0.0585(11) Uani d . 1
H H1A 0.4086 0.1529 -0.1929 0.070 Uiso calc R 1
C C2 0.38546(16) 0.0807(4) -0.0790(3) 0.0571(11) Uani d . 1
H H2A 0.3595 0.1539 -0.0811 0.068 Uiso calc R 1
C C3 0.39405(15) -0.0275(4) -0.0080(3) 0.0487(9) Uani d . 1
C C4 0.43270(15) -0.1341(4) -0.0098(3) 0.0512(10) Uani d . 1
H H4A 0.4396 -0.2095 0.0359 0.061 Uiso calc R 1
C C5 0.46052(16) -0.1275(4) -0.0793(3) 0.0556(10) Uani d . 1
H H5A 0.4861 -0.2006 -0.0798 0.067 Uiso calc R 1
C C6 0.31761(17) 0.1229(5) 0.0629(3) 0.0733(13) Uani d . 1
H H6A 0.3418 0.2065 0.0685 0.088 Uiso calc R 1
H H6B 0.2903 0.1223 -0.0033 0.088 Uiso calc R 1
C C7 0.28718(17) 0.1306(5) 0.1408(3) 0.0613(11) Uani d . 1
C C8 0.31022(19) 0.1859(5) 0.2314(4) 0.0742(13) Uani d . 1
H H8A 0.3473 0.2190 0.2480 0.089 Uiso calc R 1
C C9 0.2823(2) 0.1975(5) 0.3027(3) 0.0819(14) Uani d . 1
H H9A 0.3006 0.2371 0.3649 0.098 Uiso calc R 1
C C10 0.2278(2) 0.1500(5) 0.2803(4) 0.0801(14) Uani d . 1
H H10A 0.2088 0.1558 0.3275 0.096 Uiso calc R 1
C C11 0.20039(17) 0.0916(4) 0.1840(3) 0.0565(10) Uani d . 1
C C12 0.1444(2) 0.0473(5) 0.1533(5) 0.0810(14) Uani d . 1
H H12A 0.1231 0.0522 0.1972 0.097 Uiso calc R 1
C C13 0.1210(2) -0.0022(5) 0.0612(5) 0.0878(15) Uani d . 1
H H13A 0.0831 -0.0287 0.0396 0.105 Uiso calc R 1
C C14 0.1529(2) -0.0138(5) -0.0011(4) 0.0816(14) Uani d . 1
H H14A 0.1356 -0.0527 -0.0640 0.098 Uiso calc R 1
C C15 0.23141(17) 0.0811(4) 0.1161(3) 0.0558(10) Uani d . 1
S S2 0.49905(12) 0.3876(2) 0.77845(14) 0.0505(6) Uani d P 0.50
O O1 0.44902(13) 0.3240(3) 0.7131(2) 0.0830(9) Uani d . 1
O O2 0.4932(2) 0.4210(9) 0.8720(4) 0.0738(18) Uani d P 0.50
C C16 0.4995(9) 0.5602(10) 0.7206(9) 0.074(4) Uani d P 0.50
F F1 0.54457(13) 0.6370(3) 0.7797(3) 0.1253(12) Uani d . 1
F F2 0.5039(3) 0.5437(8) 0.6298(6) 0.111(2) Uani d P 0.50
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 0.0000 0.0000 '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 0.0060 '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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
N1 Ag1 N1 2_654 . 173.06(18) yes
C3 S1 C6 . . 102.79(18) no
C1 N1 C5 . . 116.7(3) yes
C1 N1 Ag1 . . 120.2(3) yes
C5 N1 Ag1 . . 123.1(3) yes
C14 N2 C15 . . 115.4(4) no
N1 C1 C2 . . 123.3(4) no
N1 C1 H1A . . 118.3 no
C2 C1 H1A . . 118.3 no
C1 C2 C3 . . 119.8(4) no
C1 C2 H2A . . 120.1 no
C3 C2 H2A . . 120.1 no
C4 C3 C2 . . 117.2(3) no
C4 C3 S1 . . 117.6(3) no
C2 C3 S1 . . 125.3(3) no
C5 C4 C3 . . 119.3(4) no
C5 C4 H4A . . 120.3 no
C3 C4 H4A . . 120.3 no
N1 C5 C4 . . 123.7(4) no
N1 C5 H5A . . 118.2 no
C4 C5 H5A . . 118.2 no
C7 C6 S1 . . 108.9(3) no
C7 C6 H6A . . 109.9 no
S1 C6 H6A . . 109.9 no
C7 C6 H6B . . 109.9 no
S1 C6 H6B . . 109.9 no
H6A C6 H6B . . 108.3 no
C8 C7 C15 . . 117.7(4) no
C8 C7 C6 . . 123.4(4) no
C15 C7 C6 . . 118.9(4) no
C7 C8 C9 . . 124.1(4) no
C7 C8 H8A . . 118.0 no
C9 C8 H8A . . 118.0 no
C10 C9 C8 . . 119.3(5) no
C10 C9 H9A . . 120.4 no
C8 C9 H9A . . 120.4 no
C9 C10 C11 . . 119.4(4) no
C9 C10 H10A . . 120.3 no
C11 C10 H10A . . 120.3 no
C12 C11 C15 . . 118.5(4) no
C12 C11 C10 . . 123.3(4) no
C15 C11 C10 . . 118.2(4) no
C13 C12 C11 . . 120.0(5) no
C13 C12 H12A . . 120.0 no
C11 C12 H12A . . 120.0 no
C12 C13 C14 . . 119.6(5) no
C12 C13 H13A . . 120.2 no
C14 C13 H13A . . 120.2 no
N2 C14 C13 . . 125.8(5) no
N2 C14 H14A . . 117.1 no
C13 C14 H14A . . 117.1 no
C7 C15 C11 . . 121.2(4) no
C7 C15 N2 . . 118.0(4) no
C11 C15 N2 . . 120.7(4) no
S2 S2 O1 2_656 2_656 75.6(3) no
S2 S2 O2 2_656 . 167.0(4) no
O1 S2 O2 2_656 . 112.0(3) no
S2 S2 O1 2_656 . 70.7(3) no
O1 S2 O1 2_656 . 118.7(3) no
O2 S2 O1 . . 112.0(3) no
S2 S2 C16 2_656 2_656 90.0(4) no
O1 S2 C16 2_656 2_656 113.9(8) no
O2 S2 C16 . 2_656 77.3(5) no
O1 S2 C16 . 2_656 115.6(8) no
S2 S2 C16 2_656 . 62.9(3) no
O1 S2 C16 2_656 . 106.3(6) no
O2 S2 C16 . . 104.2(5) no
O1 S2 C16 . . 101.6(6) no
C16 S2 C16 2_656 . 27.2(7) no
S2 S2 F2 2_656 2_656 132.3(3) no
O1 S2 F2 2_656 2_656 118.7(3) no
O2 S2 F2 . 2_656 35.0(3) no
O1 S2 F2 . 2_656 122.0(3) no
C16 S2 F2 2_656 2_656 42.3(4) no
C16 S2 F2 . 2_656 69.4(5) no
S2 O1 S2 2_656 . 33.71(15) no
F2 O2 S2 2_656 . 100.0(6) no
F2 O2 C16 2_656 2_656 44.0(5) no
S2 O2 C16 . 2_656 56.1(4) no
C16 C16 F1 2_656 2_656 76(2) no
C16 C16 F2 2_656 . 171(3) no
F1 C16 F2 2_656 . 112.3(12) no
C16 C16 F1 2_656 . 68(2) no
F1 C16 F1 2_656 . 104.2(7) no
F2 C16 F1 . . 110.6(12) no
C16 C16 S2 2_656 2_656 89.9(4) no
F1 C16 S2 2_656 2_656 124.2(13) no
F2 C16 S2 . 2_656 83.4(6) no
F1 C16 S2 . 2_656 120.2(12) no
C16 C16 S2 2_656 . 62.9(3) no
F1 C16 S2 2_656 . 111.4(9) no
F2 C16 S2 . . 110.4(7) no
F1 C16 S2 . . 107.8(9) no
S2 C16 S2 2_656 . 27.03(19) no
C16 C16 O2 2_656 2_656 136.0(7) no
F1 C16 O2 2_656 2_656 129.2(13) no
F2 C16 O2 . 2_656 36.7(4) no
F1 C16 O2 . 2_656 122.8(12) no
S2 C16 O2 2_656 2_656 46.7(3) no
S2 C16 O2 . 2_656 73.7(4) no
C16 F1 C16 2_656 . 35.7(8) no
O2 F2 C16 2_656 . 99.3(7) no
O2 F2 S2 2_656 2_656 45.0(4) no
C16 F2 S2 . 2_656 54.3(5) 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
Ag1 N1 2_654 2.129(3) yes
Ag1 N1 . 2.129(3) yes
S1 C3 . 1.742(4) no
S1 C6 . 1.814(4) no
N1 C1 . 1.336(5) yes
N1 C5 . 1.338(5) yes
N2 C14 . 1.317(6) no
N2 C15 . 1.410(5) no
C1 C2 . 1.361(5) no
C1 H1A . 0.9300 no
C2 C3 . 1.387(5) no
C2 H2A . 0.9300 no
C3 C4 . 1.385(5) no
C4 C5 . 1.364(5) no
C4 H4A . 0.9300 no
C5 H5A . 0.9300 no
C6 C7 . 1.514(5) no
C6 H6A . 0.9700 no
C6 H6B . 0.9700 no
C7 C8 . 1.330(5) no
C7 C15 . 1.398(5) no
C8 C9 . 1.390(6) no
C8 H8A . 0.9300 no
C9 C10 . 1.365(6) no
C9 H9A . 0.9300 no
C10 C11 . 1.425(6) no
C10 H10A . 0.9300 no
C11 C12 . 1.386(6) no
C11 C15 . 1.405(5) no
C12 C13 . 1.329(7) no
C12 H12A . 0.9300 no
C13 C14 . 1.357(7) no
C13 H13A . 0.9300 no
C14 H14A . 0.9300 no
S2 S2 2_656 0.818(3) no
S2 O1 2_656 1.390(4) no
S2 O2 . 1.405(6) no
S2 O1 . 1.427(4) no
S2 C16 2_656 1.602(9) no
S2 C16 . 1.799(9) no
S2 F2 2_656 1.958(6) no
O1 S2 2_656 1.390(4) no
O2 F2 2_656 1.141(8) no
O2 C16 2_656 1.883(12) no
C16 C16 2_656 0.82(2) no
C16 F1 2_656 1.306(16) no
C16 F2 . 1.326(11) no
C16 F1 . 1.371(18) no
C16 S2 2_656 1.602(9) no
C16 O2 2_656 1.883(12) no
F1 C16 2_656 1.306(16) no
F2 O2 2_656 1.141(8) no
F2 S2 2_656 1.958(6) no
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
N1 Ag1 N1 C1 2_654 . -148.4(3) no
N1 Ag1 N1 C5 2_654 . 33.3(3) no
C5 N1 C1 C2 . . 1.4(6) no
Ag1 N1 C1 C2 . . -177.1(3) no
N1 C1 C2 C3 . . -0.2(6) no
C1 C2 C3 C4 . . -0.8(5) no
C1 C2 C3 S1 . . 179.7(3) no
C6 S1 C3 C4 . . 176.6(3) no
C6 S1 C3 C2 . . -3.9(4) no
C2 C3 C4 C5 . . 0.7(5) no
S1 C3 C4 C5 . . -179.8(3) no
C1 N1 C5 C4 . . -1.6(5) no
Ag1 N1 C5 C4 . . 176.8(3) no
C3 C4 C5 N1 . . 0.6(6) no
C3 S1 C6 C7 . . -177.1(3) no
S1 C6 C7 C8 . . 85.8(5) no
S1 C6 C7 C15 . . -96.2(4) no
C15 C7 C8 C9 . . 0.0(7) no
C6 C7 C8 C9 . . 178.1(4) no
C7 C8 C9 C10 . . -0.1(7) no
C8 C9 C10 C11 . . -0.9(7) no
C9 C10 C11 C12 . . -176.8(4) no
C9 C10 C11 C15 . . 1.9(6) no
C15 C11 C12 C13 . . -0.7(6) no
C10 C11 C12 C13 . . 177.9(5) no
C11 C12 C13 C14 . . 2.3(7) no
C15 N2 C14 C13 . . 1.2(7) no
C12 C13 C14 N2 . . -2.7(8) no
C8 C7 C15 C11 . . 1.0(6) no
C6 C7 C15 C11 . . -177.2(4) no
C8 C7 C15 N2 . . 178.6(4) no
C6 C7 C15 N2 . . 0.4(5) no
C12 C11 C15 C7 . . 176.8(4) no
C10 C11 C15 C7 . . -2.0(6) no
C12 C11 C15 N2 . . -0.7(6) no
C10 C11 C15 N2 . . -179.5(4) no
C14 N2 C15 C7 . . -177.1(4) no
C14 N2 C15 C11 . . 0.5(6) no
O1 S2 O1 S2 2_656 2_656 -60.5(3) no
O2 S2 O1 S2 . 2_656 166.4(4) no
C16 S2 O1 S2 2_656 2_656 80.4(5) no
C16 S2 O1 S2 . 2_656 55.6(5) no
F2 S2 O1 S2 2_656 2_656 128.5(4) no
S2 S2 O2 F2 2_656 2_656 -15(3) no
O1 S2 O2 F2 2_656 2_656 109.0(6) no
O1 S2 O2 F2 . 2_656 -114.7(6) no
C16 S2 O2 F2 2_656 2_656 -2.0(9) no
C16 S2 O2 F2 . 2_656 -5.6(9) no
S2 S2 O2 C16 2_656 2_656 -13(2) no
O1 S2 O2 C16 2_656 2_656 110.9(8) no
O1 S2 O2 C16 . 2_656 -112.7(8) no
C16 S2 O2 C16 . 2_656 -3.6(14) no
F2 S2 O2 C16 2_656 2_656 2.0(9) no
S2 S2 C16 C16 2_656 2_656 -175(3) no
O1 S2 C16 C16 2_656 2_656 -111(3) no
O2 S2 C16 C16 . 2_656 8(3) no
O1 S2 C16 C16 . 2_656 124(3) no
F2 S2 C16 C16 2_656 2_656 4(3) no
S2 S2 C16 F1 2_656 2_656 124.2(13) no
O1 S2 C16 F1 2_656 2_656 -172.0(8) no
O2 S2 C16 F1 . 2_656 -53.5(11) no
O1 S2 C16 F1 . 2_656 63.1(9) no
C16 S2 C16 F1 2_656 2_656 -61(2) no
F2 S2 C16 F1 2_656 2_656 -56.9(7) no
S2 S2 C16 F2 2_656 . -1.3(9) no
O1 S2 C16 F2 2_656 . 62.5(13) ?
O2 S2 C16 F2 . . -178.9(11) no
O1 S2 C16 F2 . . -62.3(12) no
C16 S2 C16 F2 2_656 . 173(4) no
F2 S2 C16 F2 2_656 . 177.6(14) no
S2 S2 C16 F1 2_656 . -122.2(12) no
O1 S2 C16 F1 2_656 . -58.3(8) no
O2 S2 C16 F1 . . 60.2(9) no
O1 S2 C16 F1 . . 176.8(7) no
C16 S2 C16 F1 2_656 . 52(2) no
F2 S2 C16 F1 2_656 . 56.8(6) no
O1 S2 C16 S2 2_656 2_656 63.8(6) no
O2 S2 C16 S2 . 2_656 -177.6(7) no
O1 S2 C16 S2 . 2_656 -61.0(6) no
C16 S2 C16 S2 2_656 2_656 175(3) no
F2 S2 C16 S2 2_656 2_656 178.9(9) no
S2 S2 C16 O2 2_656 2_656 -2.2(4) no
O1 S2 C16 O2 2_656 2_656 61.6(6) no
O2 S2 C16 O2 . 2_656 -179.8(4) no
O1 S2 C16 O2 . 2_656 -63.2(6) no
C16 S2 C16 O2 2_656 2_656 172(3) no
F2 S2 C16 O2 2_656 2_656 176.7(8) no
F1 C16 F1 C16 2_656 2_656 68.7(17) no
F2 C16 F1 C16 . 2_656 -170(2) no
S2 C16 F1 C16 2_656 2_656 -76.1(12) no
S2 C16 F1 C16 . 2_656 -49.7(11) no
O2 C16 F1 C16 2_656 2_656 -131.4(18) no
C16 C16 F2 O2 2_656 2_656 40(18) no
F1 C16 F2 O2 2_656 2_656 -126.4(10) no
F1 C16 F2 O2 . 2_656 117.7(9) no
S2 C16 F2 O2 2_656 2_656 -2.1(9) no
S2 C16 F2 O2 . 2_656 -1.5(13) no
C16 C16 F2 S2 2_656 2_656 42(18) no
F1 C16 F2 S2 2_656 2_656 -124.3(15) no
F1 C16 F2 S2 . 2_656 119.8(13) no
S2 C16 F2 S2 . 2_656 0.6(4) no
O2 C16 F2 S2 2_656 2_656 2.1(9) no
