Bis{μ-2-[(<i>N</i>,<i>N</i>-diisopropylcarbamothioyl)sulfanyl]acetato-κ^2^<i>O</i>:<i>O</i>'}bis(bis(4-chlorobenzyl){2-[(<i>N</i>,<i>N</i>-diisopropylcarbamothioyl)sulfanyl]acetato-κ^2^<i>O</i>,<i>O</i>'}tin(IV))
Keng, Thy Chun; Lo, Kong Mun; Ng, Seik Weng; Acta Crystallographica Section E 67 (2011) m661–; doi:10.1107/S1600536811015716

data_2230240
_publ_section_title
;
 Bis{\m-2-[(<i>N</i>,<i>N</i>-diisopropylcarbamothioyl)sulfanyl]acetato-\k^2^<i>O</i>:<i>O</i>'}bis(bis(4-chlorobenzyl){2-[(<i>N</i>,<i>N</i>-diisopropylcarbamothioyl)sulfanyl]acetato-\k^2^<i>O</i>,<i>O</i>'}tin(IV))
;
_journal_coeditor_code           BT5526
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m661
_journal_paper_doi               10.1107/S1600536811015716
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Sn2 (C7 H6 Cl)4 (C9 H16 N O2 S4)2]'
_chemical_formula_moiety         'C64 H88 Cl4 N4 O8 S8 Sn2'
_chemical_formula_sum            'C64 H88 Cl4 N4 O8 S8 Sn2'
_chemical_formula_weight         1677.04
_chemical_name_systematic
;
Bis{\m-2-[(<i>N</i>,<i>N</i>-diisopropylcarbamothioyl)sulfanyl]acetato-
\k^2^<i>O</i>:<i>O</i>'}bis(bis(4-chlorobenzyl){2-[(<i>N</i>,<i>N</i>-
diisopropylcarbamothioyl)sulfanyl]acetato-\k^2^<i>O</i>,<i>O</i>'}tin(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                96.4464(5)
_cell_angle_beta                 101.0660(5)
_cell_angle_gamma                112.8168(5)
_cell_formula_units_Z            1
_cell_length_a                   11.02570(10)
_cell_length_b                   13.1588(2)
_cell_length_c                   14.5369(2)
_cell_measurement_reflns_used    9894
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.39
_cell_measurement_theta_min      2.47
_cell_volume                     1866.82(4)
_computing_cell_refinement       'SAINT (Bruker, 2009)'
_computing_data_collection       'APEX2 (Bruker, 2009)'
_computing_data_reduction        'SAINT (Bruker, 2009)'
_computing_molecular_graphics    'X-SEED (Barbour, 2001)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker SMART APEX'
_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  0.0138
_diffrn_reflns_av_sigmaI/netI    0.0204
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            17479
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.21
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.088
_exptl_absorpt_correction_T_max  0.8538
_exptl_absorpt_correction_T_min  0.7726
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.492
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             860
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.363
_refine_diff_density_min         -0.402
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.932
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     406
_refine_ls_number_reflns         8479
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.932
_refine_ls_R_factor_all          0.0270
_refine_ls_R_factor_gt           0.0244
_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^)+(0.0633P)^2^+1.4914P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0796
_refine_ls_wR_factor_ref         0.0834
_reflns_number_gt                7912
_reflns_number_total             8479
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bt5526.cif
_cod_data_source_block           I
_cod_database_code               2230240
_cod_database_fobs_code          2230240