Di-μ~2~-chlorido-dichloridooctamethyldi-μ~3~-oxido-tetratin(IV) bis[chloridodimethyl(pyrrolidine-1-carbodithioato-κ^2^<i>S</i>,<i>S</i>')tin(IV)]
Rodríguez, Nicolás; Brandão, Pedro F. B.; Okio, Coco K. Y. A.; Acta Crystallographica Section E 68 (2012) m672–; doi:10.1107/S1600536812017485

data_2234733
_publ_section_title
;
 Di-\m~2~-chlorido-dichloridooctamethyldi-\m~3~-oxido-tetratin(IV)
 bis[chloridodimethyl(pyrrolidine-1-carbodithioato-\k^2^<i>S</i>,<i>S</i>')tin(IV)]
;
_journal_coeditor_code           LR2051
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m672
_journal_paper_doi               10.1107/S1600536812017485
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac
'[Sn4 (C H3)8 Cl4 O2], 2[Sn (C H3)2 Cl (C4 H8 N S2)]'
_chemical_formula_moiety         'C8 H24 Cl4 O2 Sn4, 2(C7 H14 Cl N S2 Sn)'
_chemical_formula_sum            'C22 H52 Cl6 N2 O2 S4 Sn6'
_chemical_formula_weight         1429.74
_chemical_name_systematic
;
Di-\m~2~-chlorido-dichloridooctamethyldi-\m~3~-oxido-tetratin(IV)
bis[chloridodimethyl(pyrrolidine-1-carbodithioato-
\k^2^<i>S</i>,<i>S</i>')tin(IV)]
;
_space_group_IT_number           58
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   14.5262(4)
_cell_length_b                   14.6086(6)
_cell_length_c                   10.8338(4)
_cell_measurement_reflns_used    11648
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      27.49
_cell_measurement_theta_min      1.98
_cell_volume                     2299.01(14)
_computing_cell_refinement       'DENZO (Otwinowski & Minor (1997)'
_computing_data_collection       'COLLECT (Nonius, 1998)'
_computing_data_reduction        'DENZO (Otwinowski & Minor (1997)'
_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      193(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       '\p 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  0.039
_diffrn_reflns_av_sigmaI/netI    0.0299
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            11647
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         2.73
_exptl_absorpt_coefficient_mu    3.762
_exptl_absorpt_correction_T_max  0.749
_exptl_absorpt_correction_T_min  0.640
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SORTAV; Blessing, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.065
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1360
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.745
_refine_diff_density_min         -1.072
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.123
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     124
_refine_ls_number_reflns         2767
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.123
_refine_ls_R_factor_all          0.0348
_refine_ls_R_factor_gt           0.0284
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0315P)^2^+1.1007P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0637
_refine_ls_wR_factor_ref         0.0661
_reflns_number_gt                2450
_reflns_number_total             2768
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            lr2051.cif
_cod_data_source_block           I
_cod_database_code               2234733
_cod_database_fobs_code          2234733