Dichloro(<i>N</i>,<i>N</i>'-diethyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')(4-methylpentan-2-onato-κ^2^<i>C</i>^4^,<i>O</i>)tin(IV)
Tiekink, Edward R. T.; Wardell, James L.; Welte, William B.; Acta Crystallographica Section E 62 (2006) m1763–m1765; doi:10.1107/S160053680602544X

data_2209861
_publ_section_title
Dichloro(<i>N</i>,<i>N</i>'-diethyldithiocarbamato-\k^2^<i>S</i>,<i>S</i>')(4-methylpentan-2-onato-\k^2^<i>C</i>^4^,<i>O</i>)tin(IV)
_journal_coeditor_code           HG2061
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1763
_journal_page_last               m1765
_journal_paper_doi               10.1107/S160053680602544X
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Sn Cl2 (C5 H10 N S2) (C6 H11 O)]'
_chemical_formula_moiety         'C11 H21 Cl2 N O S2 Sn'
_chemical_formula_sum            'C11 H21 Cl2 N O S2 Sn'
_chemical_formula_weight         437.00
_chemical_name_systematic
;
Dichloro(N,N'-diethyldithiocarbamato-\k^2^S,S)(4-methylpentan-2-onato-
\k^2^C^4^,O)tin(IV)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90
_cell_angle_beta                 98.999(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.487(2)
_cell_length_b                   10.870(3)
_cell_length_c                   15.319(4)
_cell_measurement_reflns_used    7045
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.6
_cell_measurement_theta_min      1.9
_cell_volume                     1724.8(7)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku, 2005)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics
'ORTEPII (Johnson, 1976) and DIAMOND (Crystal Impact, 2006)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare <i>et al.</i>,  1994)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Rigaku AFC12\K/SATURN724'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.028
_diffrn_reflns_av_sigmaI/netI    0.011
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            41091
_diffrn_reflns_theta_full        27.5
_diffrn_reflns_theta_max         27.5
_diffrn_reflns_theta_min         2.0
_diffrn_standards_decay_%        '< 1'
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.023
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.665
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.683
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             872
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.49
_refine_diff_density_min         -0.50
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.20
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     164
_refine_ls_number_reflns         3921
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.20
_refine_ls_R_factor_all          0.021
_refine_ls_R_factor_gt           0.021
_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^)+(0.0235P)^2^+1.6599P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.057
_refine_ls_wR_factor_ref         0.057
_reflns_number_gt                3902
_reflns_number_total             3921
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hg2061.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2209861
_cod_database_fobs_code          2209861