Redetermination of tetrakis(<i>N</i>,<i>N</i>-diethyldithiocarbamato)tin(IV)
Okio, Coco K. Y. A.; Speziali, Nivaldo L.; Acta Crystallographica Section E 65 (2009) m675–; doi:10.1107/S1600536809018522

data_2221953
_publ_section_title
;
 Redetermination of
 tetrakis(<i>N</i>,<i>N</i>-diethyldithiocarbamato)tin(IV)
;
_journal_coeditor_code           BX2209
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m675
_journal_paper_doi               10.1107/S1600536809018522
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Sn (C5 H10 N1 S2)4]'
_chemical_formula_moiety         'C20 H40 N4 S8 Sn'
_chemical_formula_sum            'C20 H40 N4 S8 Sn'
_chemical_formula_weight         711.73
_chemical_name_systematic
;
tetrakis(<i>N</i>,<i>N</i>-diethyldithiocarbamato)tin(IV)
;
_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
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.29 (release 10-06-2008 CrysAlis171 .NET)
(compiled Jun 10 2008,16:49:55)
;
_cell_angle_alpha                90.0
_cell_angle_beta                 118.995(2)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   16.3250(2)
_cell_length_b                   15.7544(2)
_cell_length_c                   13.9478(2)
_cell_measurement_reflns_used    33587
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      37.7093
_cell_measurement_theta_min      2.9543
_cell_volume                     3137.62(9)
_computing_cell_refinement       'CrysAlis RED (Oxford Diffraction, 2008)'
_computing_data_collection       'CrysAlis CCD (Oxford Diffraction, 2008)'
_computing_data_reduction        'CrysAlis RED (Oxford Diffraction, 2008)'
_computing_molecular_graphics    'PLATON (Spek, 2009)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.4186
_diffrn_measured_fraction_theta_full 0.964
_diffrn_measured_fraction_theta_max 0.964
_diffrn_measurement_device_type  'Oxford Diffraction GEMINI'
_diffrn_measurement_method       \p
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0239
_diffrn_reflns_av_sigmaI/netI    0.0150
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            64449
_diffrn_reflns_theta_full        37.86
_diffrn_reflns_theta_max         37.86
_diffrn_reflns_theta_min         2.97
_exptl_absorpt_coefficient_mu    1.364
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.79415
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrysAlis RED; Oxford Diffraction, 2008)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.507
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1464
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.237
_refine_diff_density_min         -0.606
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     150
_refine_ls_number_reflns         8173
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.0537
_refine_ls_R_factor_gt           0.0372
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1318
_refine_ls_wR_factor_ref         0.1446
_reflns_number_gt                6349
_reflns_number_total             8173
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bx2209.cif
_cod_data_source_block           I
_cod_original_cell_volume        3137.64(8)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2221953
_cod_database_fobs_code          2221953