Diethylbis[3-(2-thienyl)-2-propenoato-<i>O</i>,<i>O</i>']tin(IV)
Parvez, Masood; Ali, Saqib; Masood, Tariq M.; Mazhar, Muhammad; Danish, Muhammad; Acta Crystallographica Section C 53 (1997) 1211–1213; doi:10.1107/S0108270197005210

data_2006480
_publ_section_title
;
 Diethylbis[3-(2-thienyl)-2-propenoato-<i>O</i>,<i>O</i>']tin(IV)
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1211
_journal_page_last               1213
_journal_paper_doi               10.1107/S0108270197005210
_journal_volume                  53
_journal_year                    1997
_chemical_formula_analytical     'C18 H20 O4 S2 Sn'
_chemical_formula_iupac          '[Sn (C2 H5)2 (C7 H5 O2 S)2]'
_chemical_formula_moiety         (C~2~H~5~)~2~Sn(O~2~C~7~H~5~S)~2~
_chemical_formula_structural     (C~2~H~5~)~2~Sn(O~2~CCH=CHC~4~H~3~S)~2~
_chemical_formula_sum            'C18 H20 O4 S2 Sn'
_chemical_formula_weight         483.15
_chemical_name_common
'Diethyl-bis-thiophenyl propenoato tin complex'
_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'
_cell_angle_alpha                90.00
_cell_angle_beta                 112.208(12)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   23.910(3)
_cell_length_b                   5.492(4)
_cell_length_c                   16.831(3)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    200.0(10)
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      10.0
_cell_volume                     2046.2(16)
_computing_cell_refinement       'MSC/AFC Diffractometer Control Software'
_computing_data_collection
;MSC/AFC Diffractometer Control Software (Molecular Structure Corporation,
 1988)
;
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation, 1994)'
_computing_publication_material  SHELXL93
_computing_structure_refinement  'SHELXL93 (Sheldrick, 1993)'
_computing_structure_solution    'SAPI91 (Fan, 1991)'
_diffrn_ambient_temperature      200.0(10)
_diffrn_measurement_device       'Rigaku AFC-6S'
_diffrn_measurement_method       '\w/2\q scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.023
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            2017
_diffrn_reflns_theta_max         25.0
_diffrn_reflns_theta_min         2.6
_diffrn_standards_decay_%        0.38
_diffrn_standards_interval_count 200
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.471
_exptl_absorpt_correction_T_max  0.682
_exptl_absorpt_correction_T_min  0.463
_exptl_absorpt_correction_type   '\y scans (North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.568
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             968
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.26
_refine_diff_density_max         0.57
_refine_diff_density_min         -0.78
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.215
_refine_ls_goodness_of_fit_obs   1.204
_refine_ls_hydrogen_treatment    'H atoms riding, C-H = 0.95 \%A'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     111
_refine_ls_number_reflns         1787
_refine_ls_number_restraints     23
_refine_ls_restrained_S_all      3.064
_refine_ls_restrained_S_obs      1.979
_refine_ls_R_factor_all          0.0582
_refine_ls_R_factor_obs          .0334
_refine_ls_shift/esd_max         0.000
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0407P)^2^+4.5017P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.2110
_refine_ls_wR_factor_obs         .0839
_reflns_number_observed          1465
_reflns_number_total             1809
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            fg1299.cif
_cod_data_source_block           Diorganotin_Complexe
_cod_original_cell_volume        2046.3(16)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2006480