[2-(Butylamino)cyclopent-1-ene-1-carbodithioato]chlorodiphenyltin(IV)
Hanif, Muhammad; Ali, Saqib; Hussain, Mukhtiar; Bhatti, Hussain Moazam; Karmazin Brelot, Lydia; Stoeckli-Evans, Helen; Acta Crystallographica Section E 63 (2007) m143–m145; doi:10.1107/S1600536806052123

data_2211907
_publ_section_title
;
 [2-(Butylamino)cyclopent-1-ene-1-carbodithioato]chlorodiphenyltin(IV)
;
_journal_coeditor_code           NG2173
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m143
_journal_page_last               m145
_journal_paper_doi               10.1107/S1600536806052123
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Sn (C6 H5)2 (C10 H16 N S2) Cl]'
_chemical_formula_moiety         'C22 H26 Cl N S2 Sn'
_chemical_formula_sum            'C22 H26 Cl N S2 Sn'
_chemical_formula_weight         522.70
_chemical_name_systematic
;
[2-(Butylamino)cyclopent-1-ene-1-carbodithioato)chlorodiphenyltin(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           SHELXL97
_cell_angle_alpha                106.457(11)
_cell_angle_beta                 104.555(11)
_cell_angle_gamma                96.053(11)
_cell_formula_units_Z            2
_cell_length_a                   9.4881(9)
_cell_length_b                   11.0779(10)
_cell_length_c                   12.1896(12)
_cell_measurement_reflns_used    7998
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.85
_cell_measurement_theta_min      2.15
_cell_volume                     1167.6(2)
_computing_cell_refinement       X-AREA
_computing_data_collection       'X-AREA (Stoe & Cie, 2002)'
_computing_data_reduction        'X-RED32 (Stoe & Cie, 2002)'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 0.81\%A
_diffrn_measured_fraction_theta_full 0.922
_diffrn_measured_fraction_theta_max 0.913
_diffrn_measurement_device_type  'Stoe IPDS'
_diffrn_measurement_method       \f
_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  0.0262
_diffrn_reflns_av_sigmaI/netI    0.0262
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            8018
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.86
_diffrn_reflns_theta_min         2.45
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.394
_exptl_absorpt_correction_T_max  0.81211
_exptl_absorpt_correction_T_min  0.60675
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(MULABS in PLATON; Spek, 2003)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.487
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             528
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.40
_refine_diff_density_max         0.982
_refine_diff_density_min         -1.167
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.159
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     240
_refine_ls_number_reflns         4133
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.159
_refine_ls_R_factor_all          0.0331
_refine_ls_R_factor_gt           0.0275
_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^)+(0.0353P)^2^+2.4792P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0719
_refine_ls_wR_factor_ref         0.0893
_reflns_number_gt                3825
_reflns_number_total             4133
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ng2173.cif
_cod_data_source_block           I
_cod_original_cell_volume        1167.57(19)
_cod_database_code               2211907
_cod_database_fobs_code          2211907