Tricyclohexyl(piperidine-1-dithiocarboxylato-κ<i>S</i>)tin(IV)
Hao, Lujiang; Mu, Chunhua; Kong, Binbin; Acta Crystallographica Section E 64 (2008) m1035–; doi:10.1107/S1600536808021909

data_2218886
_publ_section_title
;
 Tricyclohexyl(piperidine-1-dithiocarboxylato-\k<i>S</i>)tin(IV)
;
_journal_coeditor_code           BI2291
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1035
_journal_paper_doi               10.1107/S1600536808021909
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Sn (C6 H11)3 (C6 H10 N S2)]'
_chemical_formula_moiety         'C24 H43 N S2 Sn'
_chemical_formula_sum            'C24 H43 N S2 Sn'
_chemical_formula_weight         528.40
_chemical_name_systematic
;
Tricyclohexyl(piperidine-1-dithiocarboxylato-\kS)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                90.00
_cell_angle_beta                 109.598(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.227(8)
_cell_length_b                   7.676(4)
_cell_length_c                   20.827(10)
_cell_measurement_reflns_used    4846
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      25.87
_cell_measurement_theta_min      1.25
_cell_volume                     2595(2)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2001)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2001)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \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  0.0806
_diffrn_reflns_av_sigmaI/netI    0.0622
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            22395
_diffrn_reflns_theta_full        25.70
_diffrn_reflns_theta_max         25.70
_diffrn_reflns_theta_min         1.25
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.156
_exptl_absorpt_correction_T_max  0.874
_exptl_absorpt_correction_T_min  0.753
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.353
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1104
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.760
_refine_diff_density_min         -0.662
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     253
_refine_ls_number_reflns         4846
_refine_ls_number_restraints     36
_refine_ls_restrained_S_all      1.067
_refine_ls_R_factor_all          0.0879
_refine_ls_R_factor_gt           0.0530
_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^)+(0.0663P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1248
_refine_ls_wR_factor_ref         0.1412
_reflns_number_gt                3085
_reflns_number_total             4846
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bi2291.cif
_cod_data_source_block           I
_cod_original_cell_volume        2594(2)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2218886
_cod_database_fobs_code          2218886