Dichlorido{4-cyclohexyl-1-[1-(2-pyridyl-κ<i>N</i>)ethylidene]thiosemicarbazidato-κ^2^<i>N</i>^1^,<i>S</i>}phenyltin(IV)
Salam, Md. Abdus; Affan, Md. Abu; Ahmad, Fasihuddin B.; Tahir, M. Ibrahim Mohamed; Tiekink, Edward R. T.; Acta Crystallographica Section E 66 (2010) m1503–m1504; doi:10.1107/S1600536810044247

data_2228340
_publ_section_title
;
 Dichlorido{4-cyclohexyl-1-[1-(2-pyridyl-\k<i>N</i>)ethylidene]thiosemicarbazidato-\k^2^<i>N</i>^1^,<i>S</i>}phenyltin(IV)
;
_journal_coeditor_code           HB5715
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1503
_journal_page_last               m1504
_journal_paper_doi               10.1107/S1600536810044247
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Sn (C6 H5) (C14 H19 N4 S) Cl2]'
_chemical_formula_moiety         'C20 H24 Cl2 N4 S Sn'
_chemical_formula_sum            'C20 H24 Cl2 N4 S Sn'
_chemical_formula_weight         542.08
_chemical_name_systematic
;
Dichlorido{4-cyclohexyl-1-[1-(2-pyridyl-
\k<i>N</i>)ethylidene]thiosemicarbazidato-
\k^2^<i>N</i>^1^,<i>S</i>}phenyltin(IV)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 109.630(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.5213(2)
_cell_length_b                   13.3795(2)
_cell_length_c                   15.2648(2)
_cell_measurement_reflns_used    17836
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.9
_cell_measurement_theta_min      2.4
_cell_volume                     2216.30(6)
_computing_cell_refinement       'CrysAlis RED (Oxford Diffraction, 2002)'
_computing_data_collection       'CrysAlis CCD (Oxford Diffraction, 2002)'
_computing_data_reduction        'CrysAlis RED (Oxford Diffraction, 2002)'
_computing_molecular_graphics
;
ORTEP-3 (Farrugia, 1997) and DIAMOND (Brandenburg, 2006)
;
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       'Oxford Diffraction Gemini'
_diffrn_measurement_device_type  Area
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.034
_diffrn_reflns_av_sigmaI/netI    0.019
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            23984
_diffrn_reflns_theta_full        25.0
_diffrn_reflns_theta_max         25.0
_diffrn_reflns_theta_min         2.4
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.502
_exptl_absorpt_correction_T_max  0.798
_exptl_absorpt_correction_T_min  0.730
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrysAlis RED; Oxford Diffraction, 2002)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.625
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1088
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.30
_refine_diff_density_min         -0.45
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.02
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     257
_refine_ls_number_reflns         3900
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.02
_refine_ls_R_factor_all          0.020
_refine_ls_R_factor_gt           0.018
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0232P)^2^+1.3698P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.046
_refine_ls_wR_factor_ref         0.047
_reflns_number_gt                3642
_reflns_number_total             3900
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb5715.cif
_cod_data_source_block           I
_cod_original_sg_symbol_Hall     '-P 2yn '
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2228340
_cod_database_fobs_code          2228340