[(<i>N</i>,<i>N</i>-Dimethylthiocarbamoylthio)acetato]trimethyltin
Ng, S. W.; Kumar Das, V. G.; Acta Crystallographica Section C 52 (1996) 1371–1373; doi:10.1107/S0108270196001874

data_2005024
_publ_section_title
;
 [(<i>N</i>,<i>N</i>-Dimethylthiocarbamoylthio)acetato]trimethyltin
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1371
_journal_page_last               1373
_journal_paper_doi               10.1107/S0108270196001874
_journal_volume                  52
_journal_year                    1996
_chemical_formula_moiety         '[(CH3)3Sn] [O2CCH2S2CN(CH3)2]'
_chemical_formula_sum            'C8 H17 N O2 S2 Sn'
_chemical_formula_weight         342.04
_chemical_name_systematic
;
(N,N-Dimethyldithiocarbamoylacetato)trimethyltin
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method           SHELXL
_cell_angle_alpha                108.270(10)
_cell_angle_beta                 101.26(2)
_cell_angle_gamma                100.02(2)
_cell_formula_units_Z            4
_cell_length_a                   9.761(2)
_cell_length_b                   12.422(2)
_cell_length_c                   12.486(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298
_cell_measurement_theta_max      15
_cell_measurement_theta_min      14
_cell_volume                     1364.2(5)
_computing_cell_refinement       'CAD-4 VAX/PC'
_computing_data_collection       'CAD-4 VAX/PC (Enraf-Nonius, 1988)'
_computing_data_reduction        'Xtal3.0 (Hall & Stewart, 1990)'
_computing_molecular_graphics    'ZORTEP (Zsolnai, 1994)'
_computing_publication_material  SHELXL93
_computing_structure_refinement  'SHELXL93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w
_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  0.0313
_diffrn_reflns_av_sigmaI/netI    0.0196
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            8375
_diffrn_reflns_theta_max         29.97
_diffrn_reflns_theta_min         1.78
_diffrn_standards_decay_%        7.4
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.158
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8366
_exptl_absorpt_correction_type   '\y scan (North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.665
_exptl_crystal_description       block
_exptl_crystal_F_000             680
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.25
_refine_diff_density_max         1.806
_refine_diff_density_min         -0.659
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.095
_refine_ls_goodness_of_fit_obs   1.134
_refine_ls_hydrogen_treatment
'H atoms were located and refined with U fixed at 0.1\%A^2^'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     355
_refine_ls_number_reflns         7938
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.095
_refine_ls_restrained_S_obs      1.134
_refine_ls_R_factor_all          0.0486
_refine_ls_R_factor_obs          0.0385
_refine_ls_shift/esd_max         -0.001
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
;
calc w = 1/[\s^2^(F~o~^2^) + (0.0602P)^2^ + 0.1270P]
where P = (F~o~^2^ + 2F~c~^2^)/3
;
_refine_ls_wR_factor_all         0.0991
_refine_ls_wR_factor_obs         0.0928
_reflns_number_observed          6548
_reflns_number_total             7938
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            kh1073.cif
_cod_data_source_block           ipt150
_cod_original_cell_volume        1364.3(4)
_cod_original_formula_sum        'C8 H17 N1 O2 S2 Sn1'
_cod_database_code               2005024