#------------------------------------------------------------------------------
#$Date: 2016-03-26 15:42:28 +0100 (Sat 26 de Mar de 2016) $
#$Revision: 180351 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/20/7202081.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_7202081
loop_
_publ_author_name
'Zhang, Zhi-Hui'
'Du, Miao'
_publ_section_title
;
 Flexible and versatile anionic modules in the direction of 1-D, 2-D,
 and 3-D coordination frameworks by metal--ligand synergistic
 interactions
;
_journal_issue                   10
_journal_name_full               CrystEngComm
_journal_page_first              1350
_journal_paper_doi               10.1039/b803736a
_journal_volume                  10
_journal_year                    2008
_chemical_formula_sum            'C18 H16 N6 O8 S2 Zn'
_chemical_formula_weight         573.86
_chemical_name_systematic
;
?
;
_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                113.281(7)
_cell_angle_beta                 95.691(8)
_cell_angle_gamma                98.615(8)
_cell_formula_units_Z            2
_cell_length_a                   8.345(5)
_cell_length_b                   11.673(7)
_cell_length_c                   12.642(7)
_cell_measurement_reflns_used    1866
_cell_measurement_temperature    293(2)
_cell_volume                     1101.3(11)
_computing_cell_refinement       'Bruker APEX II'
_computing_data_collection       'Bruker APEX II'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'APEX II CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0207
_diffrn_reflns_av_sigmaI/netI    0.0422
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            5978
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.78
_exptl_absorpt_coefficient_mu    1.365
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.743912
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.730
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Rhombic
_exptl_crystal_F_000             584
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.24
_refine_diff_density_max         0.342
_refine_diff_density_min         -0.284
_refine_diff_density_rms         0.059
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     316
_refine_ls_number_reflns         3818
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.002
_refine_ls_R_factor_all          0.0478
_refine_ls_R_factor_gt           0.0329
_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)+(0.0438P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0767
_refine_ls_wR_factor_ref         0.0803
_reflns_number_gt                2933
_reflns_number_total             3818
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b803736a.txt
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed
to 'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'NONE' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        1101.4(11)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7202081
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
Zn1 Zn 0.24206(4) 0.15598(3) 0.48379(3) 0.03510(12) Uani 1 1 d . . .
S1 S -0.02458(11) 0.52460(8) 0.76847(7) 0.0484(2) Uani 1 1 d . . .
S2 S 0.59417(9) 0.28583(7) 0.23944(6) 0.0421(2) Uani 1 1 d . . .
O1 O 0.0372(3) 0.1974(2) 0.55683(17) 0.0527(6) Uani 1 1 d . . .
O2 O 0.1199(3) 0.3837(3) 0.5558(2) 0.0860(9) Uani 1 1 d . . .
O3 O 0.1957(2) 0.59363(18) 0.96020(15) 0.0404(5) Uani 1 1 d . . .
O4 O 0.5505(3) 0.1158(2) 0.44972(18) 0.0566(6) Uani 1 1 d . . .
O5 O 0.4029(2) 0.24271(17) 0.41508(15) 0.0341(4) Uani 1 1 d . . .
O6 O 0.3555(2) 0.15358(17) 0.05818(15) 0.0354(5) Uani 1 1 d . . .
O7 O 0.2235(3) -0.0181(2) 0.4783(2) 0.0746(8) Uani 1 1 d . . .
H7A H 0.3118 -0.0378 0.4985 0.112 Uiso 1 1 d R . .
H7B H 0.1351 -0.0737 0.4596 0.112 Uiso 1 1 d R . .
N1 N 0.6008(3) 0.7474(2) 1.34146(18) 0.0343(6) Uani 1 1 d . . .
N2 N 0.2339(3) 0.4134(2) 0.9653(2) 0.0507(7) Uani 1 1 d . . .
N3 N 0.1205(3) 0.3842(2) 0.8630(2) 0.0480(7) Uani 1 1 d . . .
N4 N -0.0810(3) -0.0771(2) -0.30704(19) 0.0394(6) Uani 1 1 d . . .
N5 N 0.3036(3) -0.0400(2) 0.05289(19) 0.0402(6) Uani 1 1 d . . .
N6 N 0.4316(3) 0.0366(2) 0.14828(19) 0.0400(6) Uani 1 1 d . . .
C1 C 0.3861(3) 0.6109(3) 1.1289(2) 0.0328(7) Uani 1 1 d . . .
C2 C 0.4337(4) 0.7418(3) 1.1731(2) 0.0424(8) Uani 1 1 d . . .
H2 H 0.3945 0.7864 1.1328 0.051 Uiso 1 1 calc R . .
C3 C 0.5409(4) 0.8051(3) 1.2784(2) 0.0409(7) Uani 1 1 d . . .
H3 H 0.5734 0.8932 1.3072 0.049 Uiso 1 1 calc R . .
C4 C 0.5509(4) 0.6204(3) 1.2975(2) 0.0420(8) Uani 1 1 d . . .
H4 H 0.5891 0.5778 1.3401 0.050 Uiso 1 1 calc R . .
C5 C 0.4463(4) 0.5500(3) 1.1927(2) 0.0409(7) Uani 1 1 d . . .
H5 H 0.4165 0.4618 1.1651 0.049 Uiso 1 1 calc R . .
C6 C 0.2728(3) 0.5341(3) 1.0178(2) 0.0353(7) Uani 1 1 d . . .
C7 C 0.1025(4) 0.4925(3) 0.8652(2) 0.0369(7) Uani 1 1 d . . .
C8 C -0.0964(3) 0.3631(3) 0.6602(2) 0.0334(7) Uani 1 1 d . . .
H8A H -0.1263 0.3083 0.6993 0.040 Uiso 1 1 calc R . .
H8B H -0.1946 0.3589 0.6097 0.040 Uiso 1 1 calc R . .
C9 C 0.0310(4) 0.3136(4) 0.5858(2) 0.0449(8) Uani 1 1 d . . .
C10 C 0.1431(3) -0.0029(3) -0.1012(2) 0.0324(7) Uani 1 1 d . . .
C11 C 0.0455(3) -0.1248(3) -0.1554(2) 0.0386(7) Uani 1 1 d . . .
H11 H 0.0532 -0.1835 -0.1235 0.046 Uiso 1 1 calc R . .
C12 C -0.0624(4) -0.1573(3) -0.2567(2) 0.0402(7) Uani 1 1 d . . .
H12 H -0.1262 -0.2395 -0.2925 0.048 Uiso 1 1 calc R . .
C13 C 0.0106(4) 0.0399(3) -0.2520(2) 0.0486(8) Uani 1 1 d . . .
H13 H -0.0013 0.0976 -0.2846 0.058 Uiso 1 1 calc R . .
C14 C 0.1224(4) 0.0816(3) -0.1496(2) 0.0453(8) Uani 1 1 d . . .
H14 H 0.1823 0.1650 -0.1143 0.054 Uiso 1 1 calc R . .
C15 C 0.2640(3) 0.0315(3) 0.0037(2) 0.0320(6) Uani 1 1 d . . .
C16 C 0.4557(3) 0.1478(3) 0.1470(2) 0.0336(7) Uani 1 1 d . . .
C17 C 0.6613(3) 0.2326(3) 0.3486(2) 0.0399(7) Uani 1 1 d . . .
H17A H 0.7120 0.1604 0.3120 0.048 Uiso 1 1 calc R . .
H17B H 0.7455 0.3003 0.4077 0.048 Uiso 1 1 calc R . .
C18 C 0.5287(3) 0.1939(3) 0.4089(2) 0.0344(7) Uani 1 1 d . . .
O8 O 0.3076(3) 0.4793(2) 0.4318(2) 0.0646(7) Uani 1 1 d . . .
H8' H 0.2359 0.4596 0.4684 0.097 Uiso 1 1 d R . .
H8" H 0.3834 0.4369 0.4186 0.097 Uiso 1 1 d R . .
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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 '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
O7 Zn1 O5 127.45(9) . . ?
O7 Zn1 O1 97.51(10) . . ?
O5 Zn1 O1 134.58(9) . . ?
O7 Zn1 N1 94.90(9) . 2_667 ?
O5 Zn1 N1 91.53(9) . 2_667 ?
O1 Zn1 N1 90.53(9) . 2_667 ?
O7 Zn1 N4 90.76(9) . 2 ?
O5 Zn1 N4 85.56(9) . 2 ?
O1 Zn1 N4 88.04(9) . 2 ?
N1 Zn1 N4 174.30(9) 2_667 2 ?
C7 S1 C8 97.59(14) . . ?
C16 S2 C17 97.67(14) . . ?
C9 O1 Zn1 111.1(2) . . ?
C7 O3 C6 101.7(2) . . ?
C18 O5 Zn1 108.04(18) . . ?
C16 O6 C15 102.0(2) . . ?
Zn1 O7 H7A 116.9 . . ?
Zn1 O7 H7B 126.1 . . ?
H7A O7 H7B 117.0 . . ?
C3 N1 C4 116.4(2) . . ?
C3 N1 Zn1 125.71(19) . 2_667 ?
C4 N1 Zn1 117.73(18) . 2_667 ?
C6 N2 N3 106.7(2) . . ?
C7 N3 N2 105.3(2) . . ?
C13 N4 C12 116.2(3) . . ?
C13 N4 Zn1 125.6(2) . 2 ?
C12 N4 Zn1 117.89(19) . 2 ?
C15 N5 N6 106.6(2) . . ?
C16 N6 N5 105.4(2) . . ?
C5 C1 C2 118.3(3) . . ?
C5 C1 C6 118.6(3) . . ?
C2 C1 C6 123.1(3) . . ?
C1 C2 C3 118.6(3) . . ?
C1 C2 H2 120.7 . . ?
C3 C2 H2 120.7 . . ?
N1 C3 C2 123.9(3) . . ?
N1 C3 H3 118.0 . . ?
C2 C3 H3 118.0 . . ?
N1 C4 C5 123.4(3) . . ?
N1 C4 H4 118.3 . . ?
C5 C4 H4 118.3 . . ?
C1 C5 C4 119.5(3) . . ?
C1 C5 H5 120.3 . . ?
C4 C5 H5 120.3 . . ?
N2 C6 O3 113.0(2) . . ?
N2 C6 C1 127.5(3) . . ?
O3 C6 C1 119.5(3) . . ?
N3 C7 O3 113.2(3) . . ?
N3 C7 S1 129.1(2) . . ?
O3 C7 S1 117.7(2) . . ?
C9 C8 S1 112.8(2) . . ?
C9 C8 H8A 109.0 . . ?
S1 C8 H8A 109.0 . . ?
C9 C8 H8B 109.0 . . ?
S1 C8 H8B 109.0 . . ?
H8A C8 H8B 107.8 . . ?
O2 C9 O1 123.1(3) . . ?
O2 C9 C8 120.4(3) . . ?
O1 C9 C8 116.5(3) . . ?
C14 C10 C11 118.1(3) . . ?
C14 C10 C15 122.1(3) . . ?
C11 C10 C15 119.9(3) . . ?
C12 C11 C10 119.1(3) . . ?
C12 C11 H11 120.4 . . ?
C10 C11 H11 120.4 . . ?
N4 C12 C11 123.6(3) . . ?
N4 C12 H12 118.2 . . ?
C11 C12 H12 118.2 . . ?
N4 C13 C14 124.4(3) . . ?
N4 C13 H13 117.8 . . ?
C14 C13 H13 117.8 . . ?
C10 C14 C13 118.6(3) . . ?
C10 C14 H14 120.7 . . ?
C13 C14 H14 120.7 . . ?
N5 C15 O6 112.6(2) . . ?
N5 C15 C10 128.4(3) . . ?
O6 C15 C10 119.0(2) . . ?
N6 C16 O6 113.3(2) . . ?
N6 C16 S2 129.7(2) . . ?
O6 C16 S2 117.0(2) . . ?
C18 C17 S2 115.9(2) . . ?
C18 C17 H17A 108.3 . . ?
S2 C17 H17A 108.3 . . ?
C18 C17 H17B 108.3 . . ?
S2 C17 H17B 108.3 . . ?
H17A C17 H17B 107.4 . . ?
O4 C18 O5 123.6(3) . . ?
O4 C18 C17 117.8(3) . . ?
O5 C18 C17 118.6(3) . . ?
H8' O8 H8" 117.1 . . ?
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
Zn1 O7 1.987(2) . ?
Zn1 O5 2.0251(19) . ?
Zn1 O1 2.053(2) . ?
Zn1 N1 2.210(2) 2_667 ?
Zn1 N4 2.248(2) 2 ?
S1 C7 1.727(3) . ?
S1 C8 1.802(3) . ?
S2 C16 1.727(3) . ?
S2 C17 1.798(3) . ?
O1 C9 1.268(4) . ?
O2 C9 1.218(4) . ?
O3 C7 1.364(3) . ?
O3 C6 1.367(3) . ?
O4 C18 1.238(3) . ?
O5 C18 1.262(3) . ?
O6 C16 1.363(3) . ?
O6 C15 1.372(3) . ?
O7 H7A 0.8501 . ?
O7 H7B 0.8501 . ?
N1 C3 1.336(4) . ?
N1 C4 1.340(4) . ?
N1 Zn1 2.210(2) 2_667 ?
N2 C6 1.270(4) . ?
N2 N3 1.413(3) . ?
N3 C7 1.285(4) . ?
N4 C13 1.328(4) . ?
N4 C12 1.342(4) . ?
N4 Zn1 2.248(2) 2 ?
N5 C15 1.282(4) . ?
N5 N6 1.415(3) . ?
N6 C16 1.290(3) . ?
C1 C5 1.374(4) . ?
C1 C2 1.380(4) . ?
C1 C6 1.468(4) . ?
C2 C3 1.381(4) . ?
C2 H2 0.9300 . ?
C3 H3 0.9300 . ?
C4 C5 1.375(4) . ?
C4 H4 0.9300 . ?
C5 H5 0.9300 . ?
C8 C9 1.517(4) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C10 C14 1.373(4) . ?
C10 C11 1.389(4) . ?
C10 C15 1.459(4) . ?
C11 C12 1.370(4) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C14 1.382(4) . ?
C13 H13 0.9300 . ?
C14 H14 0.9300 . ?
C17 C18 1.517(4) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
O8 H8' 0.8500 . ?
O8 H8" 0.8500 . ?
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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O7 Zn1 O1 C9 170.86(19) . . . . ?
O5 Zn1 O1 C9 -16.8(2) . . . . ?
N1 Zn1 O1 C9 75.8(2) 2_667 . . . ?
N4 Zn1 O1 C9 -98.6(2) 2 . . . ?
O7 Zn1 O5 C18 -25.6(2) . . . . ?
O1 Zn1 O5 C18 163.98(16) . . . . ?
N1 Zn1 O5 C18 71.72(18) 2_667 . . . ?
N4 Zn1 O5 C18 -113.18(18) 2 . . . ?
C6 N2 N3 C7 -0.3(3) . . . . ?
C15 N5 N6 C16 0.3(3) . . . . ?
C5 C1 C2 C3 0.7(4) . . . . ?
C6 C1 C2 C3 -180.0(3) . . . . ?
C4 N1 C3 C2 -0.2(4) . . . . ?
Zn1 N1 C3 C2 -175.3(2) 2_667 . . . ?
C1 C2 C3 N1 -0.7(5) . . . . ?
C3 N1 C4 C5 1.0(4) . . . . ?
Zn1 N1 C4 C5 176.6(2) 2_667 . . . ?
C2 C1 C5 C4 0.1(4) . . . . ?
C6 C1 C5 C4 -179.2(3) . . . . ?
N1 C4 C5 C1 -1.0(5) . . . . ?
N3 N2 C6 O3 -0.2(3) . . . . ?
N3 N2 C6 C1 179.5(3) . . . . ?
C7 O3 C6 N2 0.5(3) . . . . ?
C7 O3 C6 C1 -179.1(2) . . . . ?
C5 C1 C6 N2 -7.6(5) . . . . ?
C2 C1 C6 N2 173.1(3) . . . . ?
C5 C1 C6 O3 172.0(2) . . . . ?
C2 C1 C6 O3 -7.3(4) . . . . ?
N2 N3 C7 O3 0.6(3) . . . . ?
N2 N3 C7 S1 -177.4(2) . . . . ?
C6 O3 C7 N3 -0.7(3) . . . . ?
C6 O3 C7 S1 177.59(19) . . . . ?
C8 S1 C7 N3 -7.1(3) . . . . ?
C8 S1 C7 O3 174.9(2) . . . . ?
C7 S1 C8 C9 -75.7(2) . . . . ?
Zn1 O1 C9 O2 11.4(4) . . . . ?
Zn1 O1 C9 C8 -169.40(18) . . . . ?
S1 C8 C9 O2 -37.9(4) . . . . ?
S1 C8 C9 O1 142.9(2) . . . . ?
C14 C10 C11 C12 2.4(4) . . . . ?
C15 C10 C11 C12 -177.2(2) . . . . ?
C13 N4 C12 C11 -1.0(4) . . . . ?
Zn1 N4 C12 C11 172.9(2) 2 . . . ?
C10 C11 C12 N4 -0.6(4) . . . . ?
C12 N4 C13 C14 1.0(5) . . . . ?
Zn1 N4 C13 C14 -172.4(2) 2 . . . ?
C11 C10 C14 C13 -2.5(4) . . . . ?
C15 C10 C14 C13 177.1(3) . . . . ?
N4 C13 C14 C10 0.8(5) . . . . ?
N6 N5 C15 O6 -0.1(3) . . . . ?
N6 N5 C15 C10 177.3(2) . . . . ?
C16 O6 C15 N5 -0.2(3) . . . . ?
C16 O6 C15 C10 -177.8(2) . . . . ?
C14 C10 C15 N5 -174.7(3) . . . . ?
C11 C10 C15 N5 4.8(4) . . . . ?
C14 C10 C15 O6 2.5(4) . . . . ?
C11 C10 C15 O6 -177.9(2) . . . . ?
N5 N6 C16 O6 -0.4(3) . . . . ?
N5 N6 C16 S2 179.9(2) . . . . ?
C15 O6 C16 N6 0.4(3) . . . . ?
C15 O6 C16 S2 -179.94(18) . . . . ?
C17 S2 C16 N6 -10.1(3) . . . . ?
C17 S2 C16 O6 170.23(19) . . . . ?
C16 S2 C17 C18 -60.2(2) . . . . ?
Zn1 O5 C18 O4 -6.4(3) . . . . ?
Zn1 O5 C18 C17 173.75(18) . . . . ?
S2 C17 C18 O4 153.9(2) . . . . ?
S2 C17 C18 O5 -26.2(3) . . . . ?
