Bis[<i>N</i>,<i>N</i>-bis(2-hydroxyethyl)dithiocarbamato-<i>S</i>,<i>S</i>']diphenyltin(IV)
Farina, Yang; Baba, Ibrahim; Othman, A. Hamid; Ibrahim Abdul Razak; Fun, Hoong-Kun; Ng, Seik Weng; Acta Crystallographica Section E 57 (2001) m46–m47; doi:10.1107/S1600536800020407

data_2200068
_publ_section_title
Bis[<i>N</i>,<i>N</i>-bis(2-hydroxyethyl)dithiocarbamato-<i>S</i>,<i>S</i>']diphenyltin(IV)
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m46
_journal_page_last               m47
_journal_paper_doi               10.1107/S1600536800020407
_journal_volume                  57
_journal_year                    2001
_chemical_formula_iupac          '[Sn (C6 H5)2 (C5 H10 N O2 S2)2]'
_chemical_formula_moiety         'C22 H30 N2 O4 S4 Sn'
_chemical_formula_sum            'C22 H30 N2 O4 S4 Sn'
_chemical_formula_weight         633.41
_chemical_name_systematic
;
Bis[N,N-bis(2-hydroxyethyl)dithiocarbamato-S,S']diphenyltin(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'
_cell_angle_alpha                86.8890(10)
_cell_angle_beta                 69.5750(10)
_cell_angle_gamma                88.2930(10)
_cell_formula_units_Z            2
_cell_length_a                   9.0118(2)
_cell_length_b                   12.40510(10)
_cell_length_c                   12.6024(2)
_cell_measurement_reflns_used    7568
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      29.52
_cell_measurement_theta_min      1.64
_cell_volume                     1318.24(4)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_detector_area_resol_mean 8.33
_diffrn_measured_fraction_theta_full .874
_diffrn_measured_fraction_theta_max .874
_diffrn_measurement_device_type  'Siemens CCD area-detector'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .053
_diffrn_reflns_av_sigmaI/netI    .0943
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            9804
_diffrn_reflns_theta_full        29.52
_diffrn_reflns_theta_max         29.52
_diffrn_reflns_theta_min         1.64
_exptl_absorpt_coefficient_mu    1.317
_exptl_absorpt_correction_T_max  .779
_exptl_absorpt_correction_T_min  .621
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.596
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             644
_exptl_crystal_size_max          .40
_exptl_crystal_size_mid          .22
_exptl_crystal_size_min          .20
_refine_diff_density_max         2.310
_refine_diff_density_min         -1.911
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   .98
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     314
_refine_ls_number_reflns         6443
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      .98
_refine_ls_R_factor_all          .058
_refine_ls_R_factor_gt           .048
_refine_ls_shift/su_max          <0.001
_refine_ls_shift/su_mean         <0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0278P)^2^] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .112
_reflns_number_gt                5242
_reflns_number_total             6443
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            na6029.cif
_cod_data_source_block           aho40m
_cod_database_code               2200068