(<i>N</i>,<i>N</i>-Diethyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')iododiphenyltin(IV)
Tian, Lai-Jin; Mao, Wu-Tao; Tan, Guo-Xia; Sun, Yu-Xi; Acta Crystallographica Section E 62 (2006) m2448–m2449; doi:10.1107/S1600536806035124

data_2210626
_publ_section_title
(<i>N</i>,<i>N</i>-Diethyldithiocarbamato-\k^2^<i>S</i>,<i>S</i>')iododiphenyltin(IV)
_journal_coeditor_code           HB2135
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2448
_journal_page_last               m2449
_journal_paper_doi               10.1107/S1600536806035124
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Sn (C6 H5)2 (C5 H10 N S2) I]'
_chemical_formula_moiety         'C17 H20 I N S2 Sn'
_chemical_formula_sum            'C17 H20 I N S2 Sn'
_chemical_formula_weight         548.05
_chemical_name_systematic
;
(N,N-Diethyldithiocarbamato-\k^2^S,S')iododiphenyltin(IV)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                109.266(2)
_cell_angle_beta                 99.058(2)
_cell_angle_gamma                93.168(2)
_cell_formula_units_Z            2
_cell_length_a                   9.3949(12)
_cell_length_b                   9.9245(13)
_cell_length_c                   11.5388(15)
_cell_measurement_reflns_used    2939
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      25.86
_cell_measurement_theta_min      2.35
_cell_volume                     996.3(2)
_computing_cell_refinement       'SAINT (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Bruker APEX CCD'
_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  0.0220
_diffrn_reflns_av_sigmaI/netI    0.0356
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            7834
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.90
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.038
_exptl_absorpt_correction_T_max  0.816
_exptl_absorpt_correction_T_min  0.596
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2002)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.827
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             528
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.626
_refine_diff_density_min         -0.512
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     199
_refine_ls_number_reflns         3867
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0393
_refine_ls_R_factor_gt           0.0314
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.03P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0662
_refine_ls_wR_factor_ref         0.0690
_reflns_number_gt                3245
_reflns_number_total             3867
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb2135.cif
_cod_data_source_block           I
_cod_database_code               2210626
_cod_database_fobs_code          2210626