(μ-Piperazine-1,4-dicarbodithioato-κ^4^<i>S</i>,<i>S</i>':<i>S</i>'',<i>S</i>''')bis[triphenyltin(IV)] dichloromethane solvate
Poplaukhin, Pavel; Tiekink, Edward R. T.; Acta Crystallographica Section E 64 (2008) m1177–; doi:10.1107/S1600536808025890

data_2219405
_publ_section_title
;(\m-Piperazine-1,4-dicarbodithioato-\k^4^<i>S</i>,<i>S</i>':<i>S</i>'',<i>S</i>''')bis[triphenyltin(IV)]
 dichloromethane solvate
;
_journal_coeditor_code           NG2481
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1177
_journal_paper_doi               10.1107/S1600536808025890
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Sn2 (C6 H5)6 (C6 H8 N2 S4)] , C H2 Cl2'
_chemical_formula_moiety         'C42 H38 N2 S4 Sn2 , C H2 Cl2'
_chemical_formula_sum            'C43 H40 Cl2 N2 S4 Sn2'
_chemical_formula_weight         1021.37
_chemical_name_systematic
;
(\m-Piperazine-1,4-dicarbodithioto-
\k^4^<i>S</i>,<i>S</i>':<i>S</i>'',<i>S</i>''')bis[triphenyltin(IV)]
dichloromethane solvate
;
_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           SHELXL97
_cell_angle_alpha                90
_cell_angle_beta                 90.379(6)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.681(5)
_cell_length_b                   10.758(3)
_cell_length_c                   13.470(4)
_cell_measurement_reflns_used    13756
_cell_measurement_temperature    98(2)
_cell_measurement_theta_max      40.7
_cell_measurement_theta_min      2.4
_cell_volume                     2127.4(11)
_computing_cell_refinement       'CrystalClear (Rigaku/MSC, 2005)'
_computing_data_collection       'CrystalClear (Rigaku/MSC, 2005)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC, 2005)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      98(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Rigaku AFC12\k/SATURN724'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.048
_diffrn_reflns_av_sigmaI/netI    0.047
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            14400
_diffrn_reflns_theta_full        26.5
_diffrn_reflns_theta_max         26.5
_diffrn_reflns_theta_min         2.4
_diffrn_standards_decay_%        <1
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.529
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.354
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.594
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1020
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.015
_refine_diff_density_max         0.77
_refine_diff_density_min         -1.12
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.10
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     244
_refine_ls_number_reflns         4389
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.10
_refine_ls_R_factor_all          0.056
_refine_ls_R_factor_gt           0.048
_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^)+(0.04P)^2^+8.4194P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.106
_refine_ls_wR_factor_ref         0.113
_reflns_number_gt                4021
_reflns_number_total             4389
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ng2481.cif
_cod_data_source_block           I
_cod_original_cell_volume        2127.3(11)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2219405
_cod_database_fobs_code          2219405