#=============================================================================
# 1. SUBMISSION DETAILS
_publ_contact_author_name 'Jing-Ping Zhang'
_publ_contact_author_address
;
Faculty of Chemistry
Northeast Normal University
Changchun 130024
P.R.China
;
_publ_contact_author_email zhangjingping66@yahoo.cn
_publ_contact_author_fax +86-431-85098652
_publ_contact_author_phone +86-431-85099521
_publ_requested_journal 'New Journal of Chemistry'
#============================================================================= 
data_735297 
_database_code_depnum_ccdc_archive 'CCDC 735297' 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'C34 H24 F6 O6 S8 Zn' 
_chemical_formula_weight          964.38 
 
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' 
 'F'  'F'   0.0171   0.0103 
 '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' 
 
_symmetry_cell_setting            Monoclinic
_symmetry_space_group_name_H-M    'P 21/n'
_symmetry_space_group_name_hall   '-P 2yn' 
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x+1/2, y+1/2, -z+1/2' 
 '-x, -y, -z' 
 'x-1/2, -y-1/2, z-1/2' 
 
_cell_length_a                    5.2175(5) 
_cell_length_b                    10.5765(10) 
_cell_length_c                    34.092(3) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  90.726(2) 
_cell_angle_gamma                 90.00 
_cell_volume                      1881.1(3) 
_cell_formula_units_Z             2 
_cell_measurement_temperature     298(2) 
_cell_measurement_reflns_used     ? 
_cell_measurement_theta_min      ?
_cell_measurement_theta_max       ? 
 
_exptl_crystal_description        needle 
_exptl_crystal_colour             orange 
_exptl_crystal_size_max           0.49 
_exptl_crystal_size_mid           0.10 
_exptl_crystal_size_min           0.10 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.703 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              976 
_exptl_absorpt_coefficient_mu     1.172 
_exptl_absorpt_correction_type    'multi-scan' 
_exptl_absorpt_correction_T_min   0.869 
_exptl_absorpt_correction_T_max   0.889 
_exptl_absorpt_process_details     
; 
CrysAlis (Oxford Diffraction, 2006)
; 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       298(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device_type   'Oxford Diffraction Gemini R Ultra' 
_diffrn_measurement_method        '\w scan' 
_diffrn_detector_area_resol_mean  10.0 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             9748 
_diffrn_reflns_av_R_equivalents   0.0401 
_diffrn_reflns_av_sigmaI/netI     0.0501 
_diffrn_reflns_limit_h_min        -6 
_diffrn_reflns_limit_h_max        5 
_diffrn_reflns_limit_k_min        -12 
_diffrn_reflns_limit_k_max        12 
_diffrn_reflns_limit_l_min        -26 
_diffrn_reflns_limit_l_max        40 
_diffrn_reflns_theta_min          2.02 
_diffrn_reflns_theta_max          25.35 
_reflns_number_total              3437 
_reflns_number_gt                 2527 
_reflns_threshold_expression      >2sigma(I) 
 
_computing_data_collection        'CrysAlis (Oxford Diffraction, 2006)'  
_computing_cell_refinement        'CrysAlis' 
_computing_data_reduction         'CrysAlis'  
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     'Mercury (Macrae at al., 2008)'
_computing_publication_material   'SHELXL-97 (Sheldrick 1997)' 
 
_refine_special_details 
; 
 Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F^2^, conventional R-factors R are based 
 on F, with F set to zero for negative F^2^. The threshold expression of 
 F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F^2^ are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
; 
 
_refine_ls_structure_factor_coef  Fsqd  
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme       calc  
_refine_ls_weighting_details 
 'calc w=1/[\s^2^(Fo^2^)+(0.0716P)^2^+1.4586P] where P=(Fo^2^+2Fc^2^)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     mixed 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_number_reflns          3437 
_refine_ls_number_parameters      262 
_refine_ls_number_restraints      1 
_refine_ls_R_factor_all           0.0809 
_refine_ls_R_factor_gt            0.0559 
_refine_ls_wR_factor_ref          0.1412 
_refine_ls_wR_factor_gt           0.1275 
_refine_ls_goodness_of_fit_ref    1.048 
_refine_ls_restrained_S_all       1.049 
_refine_ls_shift/su_max           0.000 
_refine_ls_shift/su_mean          0.000 
 
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 
Zn Zn 0.5000 0.0000 0.0000 0.0280(2) Uani 1 2 d S . . 
S1 S -0.6904(3) -0.12095(12) 0.25107(4) 0.0442(3) Uani 1 1 d . . . 
S2 S -0.3334(3) 0.09622(13) 0.24832(4) 0.0467(4) Uani 1 1 d . . . 
S3 S -0.5261(3) 0.18935(14) 0.33302(4) 0.0493(4) Uani 1 1 d . . . 
S4 S -0.8971(3) -0.02193(12) 0.33581(4) 0.0497(4) Uani 1 1 d . . . 
O1 O 0.7335(5) 0.1488(3) 0.01878(8) 0.0295(7) Uani 1 1 d . . . 
O2 O 0.3438(6) -0.0064(3) 0.05387(8) 0.0306(7) Uani 1 1 d . . . 
F1 F 0.6454(11) 0.4361(4) 0.0387(3) 0.091(2) Uani 0.70 1 d P . . 
F1' F 0.767(3) 0.4045(11) 0.0117(4) 0.060(3) Uani 0.30 1 d P . . 
F2 F 1.0276(8) 0.3460(3) 0.03759(16) 0.1120(18) Uani 1 1 d . . . 
F3 F 0.8286(11) 0.3914(4) 0.08470(13) 0.130(2) Uani 1 1 d . . . 
C1 C 0.7973(10) 0.3471(4) 0.04885(16) 0.0449(13) Uani 1 1 d . . . 
C2 C 0.6642(8) 0.2182(4) 0.04728(13) 0.0311(10) Uani 1 1 d . . . 
C3 C 0.4878(9) 0.1946(4) 0.07608(13) 0.0355(11) Uani 1 1 d . . . 
H3 H 0.4654 0.2561 0.0952 0.043 Uiso 1 1 calc R . . 
C4 C 0.3381(8) 0.0831(4) 0.07858(12) 0.0290(10) Uani 1 1 d . . . 
C5 C 0.1650(8) 0.0670(4) 0.11222(12) 0.0297(10) Uani 1 1 d . . . 
C6 C -0.0427(9) -0.0162(4) 0.10790(13) 0.0341(11) Uani 1 1 d . . . 
H6 H -0.0710 -0.0568 0.0840 0.041 Uiso 1 1 calc R . . 
C7 C -0.2054(9) -0.0384(4) 0.13871(13) 0.0351(11) Uani 1 1 d . . . 
H7 H -0.3435 -0.0930 0.1352 0.042 Uiso 1 1 calc R . . 
C8 C -0.1664(8) 0.0196(4) 0.17509(12) 0.0299(10) Uani 1 1 d . . . 
C9 C 0.0347(9) 0.1053(4) 0.17881(13) 0.0378(11) Uani 1 1 d . . . 
H9 H 0.0609 0.1472 0.2025 0.045 Uiso 1 1 calc R . . 
C10 C 0.1960(9) 0.1289(4) 0.14783(13) 0.0372(11) Uani 1 1 d . . . 
H10 H 0.3278 0.1874 0.1509 0.045 Uiso 1 1 calc R . . 
C11 C -0.3330(9) -0.0085(4) 0.20809(13) 0.0326(10) Uani 1 1 d . . . 
C12 C -0.4952(9) -0.1060(4) 0.21067(13) 0.0384(11) Uani 1 1 d . . . 
H12 H -0.5031 -0.1659 0.1907 0.046 Uiso 1 1 calc R . . 
C13 C -0.5696(9) 0.0150(4) 0.27475(14) 0.0375(11) Uani 1 1 d . . . 
C14 C -0.6517(9) 0.0534(5) 0.30981(13) 0.0374(11) Uani 1 1 d . . . 
C15 C -0.7334(11) 0.1830(5) 0.37237(14) 0.0494(13) Uani 1 1 d . . . 
H15 H -0.7276 0.2439 0.3920 0.059 Uiso 1 1 calc R . . 
C16 C -0.8977(12) 0.0901(5) 0.37349(15) 0.0577(15) Uani 1 1 d . . . 
H16 H -1.0130 0.0835 0.3940 0.069 Uiso 1 1 calc R . . 
C17 C 0.7249(10) -0.2512(4) 0.03810(15) 0.0434(12) Uani 1 1 d . . . 
H17A H 0.8792 -0.2984 0.0430 0.065 Uiso 1 1 calc R . . 
H17B H 0.6087 -0.3011 0.0224 0.065 Uiso 1 1 calc R . . 
H17C H 0.6461 -0.2307 0.0626 0.065 Uiso 1 1 calc R . . 
O3 O 0.7853(6) -0.1374(3) 0.01764(9) 0.0313(7) Uani 1 1 d D . . 
H18 H 0.939(5) -0.153(5) 0.0055(12) 0.047 Uiso 1 1 d D . . 
 
loop_ 
 _atom_site_aniso_label 
 _atom_site_aniso_U_11 
 _atom_site_aniso_U_22 
 _atom_site_aniso_U_33 
 _atom_site_aniso_U_23 
 _atom_site_aniso_U_13 
 _atom_site_aniso_U_12 
Zn 0.0315(4) 0.0265(4) 0.0262(4) -0.0025(3) 0.0113(3) -0.0027(3) 
S1 0.0493(8) 0.0445(7) 0.0393(7) 0.0010(6) 0.0199(6) -0.0057(6) 
S2 0.0502(8) 0.0538(8) 0.0366(7) -0.0109(6) 0.0231(6) -0.0121(6) 
S3 0.0477(8) 0.0585(8) 0.0420(7) -0.0097(6) 0.0183(6) -0.0051(7) 
S4 0.0607(9) 0.0451(7) 0.0441(8) 0.0015(6) 0.0292(7) -0.0032(6) 
O1 0.0306(17) 0.0279(15) 0.0302(16) -0.0044(13) 0.0130(13) -0.0027(13) 
O2 0.0344(17) 0.0290(15) 0.0285(16) -0.0032(13) 0.0124(13) -0.0030(13) 
F1 0.070(4) 0.018(2) 0.185(8) 0.018(3) -0.029(4) -0.006(2) 
F1' 0.072(9) 0.039(6) 0.068(8) 0.025(6) -0.010(6) -0.027(6) 
F2 0.077(3) 0.057(2) 0.204(5) -0.052(3) 0.077(3) -0.034(2) 
F3 0.185(5) 0.108(3) 0.100(3) -0.051(3) 0.055(3) -0.100(4) 
C1 0.050(3) 0.028(3) 0.058(3) -0.014(2) 0.026(3) -0.007(2) 
C2 0.029(2) 0.028(2) 0.036(3) -0.004(2) 0.008(2) 0.0006(19) 
C3 0.038(3) 0.032(2) 0.037(3) -0.008(2) 0.016(2) -0.002(2) 
C4 0.030(2) 0.031(2) 0.026(2) 0.0005(19) 0.0064(19) 0.0034(19) 
C5 0.035(3) 0.027(2) 0.027(2) 0.0013(18) 0.0115(19) 0.001(2) 
C6 0.041(3) 0.037(3) 0.025(2) -0.005(2) 0.0086(19) -0.002(2) 
C7 0.036(3) 0.036(2) 0.033(3) 0.000(2) 0.008(2) -0.007(2) 
C8 0.030(2) 0.035(2) 0.025(2) 0.0034(18) 0.0074(19) 0.0023(19) 
C9 0.041(3) 0.045(3) 0.027(2) -0.013(2) 0.013(2) -0.005(2) 
C10 0.037(3) 0.038(3) 0.037(3) -0.006(2) 0.013(2) -0.006(2) 
C11 0.034(3) 0.037(2) 0.027(2) 0.003(2) 0.0092(19) 0.000(2) 
C12 0.042(3) 0.043(3) 0.030(2) -0.002(2) 0.016(2) -0.002(2) 
C13 0.034(3) 0.045(3) 0.034(3) 0.001(2) 0.010(2) 0.003(2) 
C14 0.038(3) 0.043(3) 0.031(3) 0.004(2) 0.013(2) 0.003(2) 
C15 0.061(4) 0.060(3) 0.028(3) -0.006(2) 0.017(2) 0.002(3) 
C16 0.074(4) 0.059(3) 0.041(3) -0.004(3) 0.033(3) -0.004(3) 
C17 0.048(3) 0.038(3) 0.045(3) 0.006(2) 0.010(2) 0.001(2) 
O3 0.0300(17) 0.0287(15) 0.0356(17) 0.0039(13) 0.0124(14) 0.0006(13) 
 
_geom_special_details 
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
; 
 
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 
Zn O2 2.020(3) 3_655 ? 
Zn O2 2.020(3) . ? 
Zn O1 2.086(3) . ? 
Zn O1 2.086(3) 3_655 ? 
Zn O3 2.160(3) 3_655 ? 
Zn O3 2.160(3) . ? 
S1 C12 1.730(4) . ? 
S1 C13 1.761(5) . ? 
S2 C13 1.760(5) . ? 
S2 C11 1.763(4) . ? 
S3 C15 1.735(5) . ? 
S3 C14 1.763(5) . ? 
S4 C16 1.747(5) . ? 
S4 C14 1.758(5) . ? 
O1 C2 1.274(5) . ? 
O2 C4 1.268(5) . ? 
F1 C1 1.276(7) . ? 
F1' C1 1.411(12) . ? 
F2 C1 1.266(6) . ? 
F3 C1 1.317(6) . ? 
C1 C2 1.531(6) . ? 
C2 C3 1.377(6) . ? 
C3 C4 1.418(6) . ? 
C4 C5 1.478(6) . ? 
C5 C10 1.387(6) . ? 
C5 C6 1.402(6) . ? 
C6 C7 1.379(6) . ? 
C7 C8 1.396(6) . ? 
C8 C9 1.390(6) . ? 
C8 C11 1.461(6) . ? 
C9 C10 1.382(6) . ? 
C11 C12 1.338(6) . ? 
C13 C14 1.338(6) . ? 
C15 C16 1.305(7) . ? 
C17 O3 1.429(5) . ? 
 
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 
O2 Zn O2 180 3_655 . ? 
O2 Zn O1 90.74(11) 3_655 . ? 
O2 Zn O1 89.26(11) . . ? 
O2 Zn O1 89.26(11) 3_655 3_655 ? 
O2 Zn O1 90.74(11) . 3_655 ? 
O1 Zn O1 180 . 3_655 ? 
O2 Zn O3 90.50(11) 3_655 3_655 ? 
O2 Zn O3 89.50(11) . 3_655 ? 
O1 Zn O3 88.61(11) . 3_655 ? 
O1 Zn O3 91.39(11) 3_655 3_655 ? 
O2 Zn O3 89.50(11) 3_655 . ? 
O2 Zn O3 90.50(11) . . ? 
O1 Zn O3 91.39(11) . . ? 
O1 Zn O3 88.61(11) 3_655 . ? 
O3 Zn O3 180 3_655 . ? 
C12 S1 C13 94.6(2) . . ? 
C13 S2 C11 95.7(2) . . ? 
C15 S3 C14 94.8(2) . . ? 
C16 S4 C14 94.1(3) . . ? 
C2 O1 Zn 119.9(3) . . ? 
C4 O2 Zn 126.3(3) . . ? 
F2 C1 F1 120.9(6) . . ? 
F2 C1 F3 100.2(5) . . ? 
F1 C1 F3 93.4(5) . . ? 
F2 C1 F1' 80.1(7) . . ? 
F1 C1 F1' 51.4(6) . . ? 
F3 C1 F1' 133.7(7) . . ? 
F2 C1 C2 114.4(4) . . ? 
F1 C1 C2 111.6(5) . . ? 
F3 C1 C2 113.6(4) . . ? 
F1' C1 C2 107.8(6) . . ? 
O1 C2 C3 129.7(4) . . ? 
O1 C2 C1 114.0(4) . . ? 
C3 C2 C1 116.3(4) . . ? 
C2 C3 C4 124.6(4) . . ? 
O2 C4 C3 124.3(4) . . ? 
O2 C4 C5 116.7(4) . . ? 
C3 C4 C5 119.0(4) . . ? 
C10 C5 C6 118.0(4) . . ? 
C10 C5 C4 124.0(4) . . ? 
C6 C5 C4 118.0(4) . . ? 
C7 C6 C5 120.6(4) . . ? 
C6 C7 C8 121.2(4) . . ? 
C9 C8 C7 117.9(4) . . ? 
C9 C8 C11 121.2(4) . . ? 
C7 C8 C11 120.9(4) . . ? 
C10 C9 C8 121.0(4) . . ? 
C9 C10 C5 121.2(4) . . ? 
C12 C11 C8 126.2(4) . . ? 
C12 C11 S2 115.2(3) . . ? 
C8 C11 S2 118.5(3) . . ? 
C11 C12 S1 120.1(4) . . ? 
C14 C13 S2 122.9(4) . . ? 
C14 C13 S1 122.8(4) . . ? 
S2 C13 S1 114.4(3) . . ? 
C13 C14 S4 123.8(4) . . ? 
C13 C14 S3 121.8(4) . . ? 
S4 C14 S3 114.3(3) . . ? 
C16 C15 S3 117.9(4) . . ? 
C15 C16 S4 118.8(4) . . ? 
C17 O3 Zn 123.2(3) . . ? 
 
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 
O2 Zn O1 C2 155.6(3) 3_655 . . . ? 
O2 Zn O1 C2 -24.4(3) . . . . ? 
O1 Zn O1 C2 -75(100) 3_655 . . . ? 
O3 Zn O1 C2 65.1(3) 3_655 . . . ? 
O3 Zn O1 C2 -114.9(3) . . . . ? 
O2 Zn O2 C4 -168(100) 3_655 . . . ? 
O1 Zn O2 C4 23.1(4) . . . . ? 
O1 Zn O2 C4 -156.9(4) 3_655 . . . ? 
O3 Zn O2 C4 -65.5(3) 3_655 . . . ? 
O3 Zn O2 C4 114.5(3) . . . . ? 
Zn O1 C2 C3 19.5(6) . . . . ? 
Zn O1 C2 C1 -159.7(3) . . . . ? 
F2 C1 C2 O1 -34.7(7) . . . . ? 
F1 C1 C2 O1 107.1(6) . . . . ? 
F3 C1 C2 O1 -148.9(5) . . . . ? 
F1' C1 C2 O1 52.3(8) . . . . ? 
F2 C1 C2 C3 146.0(5) . . . . ? 
F1 C1 C2 C3 -72.3(7) . . . . ? 
F3 C1 C2 C3 31.8(7) . . . . ? 
F1' C1 C2 C3 -127.1(8) . . . . ? 
O1 C2 C3 C4 -1.9(8) . . . . ? 
C1 C2 C3 C4 177.3(5) . . . . ? 
Zn O2 C4 C3 -14.2(6) . . . . ? 
Zn O2 C4 C5 166.7(3) . . . . ? 
C2 C3 C4 O2 -2.2(7) . . . . ? 
C2 C3 C4 C5 176.9(4) . . . . ? 
O2 C4 C5 C10 156.5(4) . . . . ? 
C3 C4 C5 C10 -22.7(7) . . . . ? 
O2 C4 C5 C6 -23.3(6) . . . . ? 
C3 C4 C5 C6 157.6(4) . . . . ? 
C10 C5 C6 C7 -2.1(7) . . . . ? 
C4 C5 C6 C7 177.7(4) . . . . ? 
C5 C6 C7 C8 -0.9(7) . . . . ? 
C6 C7 C8 C9 3.0(7) . . . . ? 
C6 C7 C8 C11 -177.3(4) . . . . ? 
C7 C8 C9 C10 -2.1(7) . . . . ? 
C11 C8 C9 C10 178.2(4) . . . . ? 
C8 C9 C10 C5 -0.8(7) . . . . ? 
C6 C5 C10 C9 2.9(7) . . . . ? 
C4 C5 C10 C9 -176.8(4) . . . . ? 
C9 C8 C11 C12 -165.2(5) . . . . ? 
C7 C8 C11 C12 15.1(7) . . . . ? 
C9 C8 C11 S2 16.8(6) . . . . ? 
C7 C8 C11 S2 -162.8(4) . . . . ? 
C13 S2 C11 C12 -0.3(4) . . . . ? 
C13 S2 C11 C8 177.9(4) . . . . ? 
C8 C11 C12 S1 -176.9(4) . . . . ? 
S2 C11 C12 S1 1.1(5) . . . . ? 
C13 S1 C12 C11 -1.3(4) . . . . ? 
C11 S2 C13 C14 179.7(4) . . . . ? 
C11 S2 C13 S1 -0.5(3) . . . . ? 
C12 S1 C13 C14 -179.3(5) . . . . ? 
C12 S1 C13 S2 1.0(3) . . . . ? 
S2 C13 C14 S4 177.1(3) . . . . ? 
S1 C13 C14 S4 -2.6(7) . . . . ? 
S2 C13 C14 S3 -0.7(6) . . . . ? 
S1 C13 C14 S3 179.6(3) . . . . ? 
C16 S4 C14 C13 -175.6(5) . . . . ? 
C16 S4 C14 S3 2.3(3) . . . . ? 
C15 S3 C14 C13 175.8(5) . . . . ? 
C15 S3 C14 S4 -2.1(3) . . . . ? 
C14 S3 C15 C16 1.0(5) . . . . ? 
S3 C15 C16 S4 0.5(7) . . . . ? 
C14 S4 C16 C15 -1.7(5) . . . . ? 
O2 Zn O3 C17 -133.0(3) 3_655 . . . ? 
O2 Zn O3 C17 47.0(3) . . . . ? 
O1 Zn O3 C17 136.3(3) . . . . ? 
O1 Zn O3 C17 -43.7(3) 3_655 . . . ? 
O3 Zn O3 C17 -25(100) 3_655 . . . ? 
 
_diffrn_measured_fraction_theta_max    0.997 
_diffrn_reflns_theta_full              25.35 
_diffrn_measured_fraction_theta_full   0.997 
_refine_diff_density_max    0.743 
_refine_diff_density_min   -0.571 
_refine_diff_density_rms    0.095