Bis{<i>N</i>-benzyl-<i>N</i>-[2-(thiophen-2-yl)ethyl]dithiocarbamato-κ^2^<i>S</i>,<i>S</i>'}lead(II)
Sathiyaraj, E.; Thirumaran, S.; Sridhar, B.; Selvanayagam, S.; Acta Crystallographica Section E 69 (2013) m457–; doi:10.1107/S1600536813019259

data_2238406
_publ_section_title
;
 Bis{<i>N</i>-benzyl-<i>N</i>-[2-(thiophen-2-yl)ethyl]dithiocarbamato-\k^2^<i>S</i>,<i>S</i>'}lead(II)
;
_journal_coeditor_code           NG5336
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m457
_journal_paper_doi               10.1107/S1600536813019259
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '[Pb (C14 H14 N S3)2]'
_chemical_formula_moiety         'C28 H28 N2 Pb S6'
_chemical_formula_sum            'C28 H28 N2 Pb S6'
_chemical_formula_weight         792.07
_chemical_name_systematic
Bis{<i>N</i>-benzyl-<i>N</i>-[2-(thiophen-2-yl)ethyl]dithiocarbamato-\k^2^<i>S</i>,<i>S</i>'}lead(II)
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                90
_cell_angle_beta                 100.168(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   27.459(2)
_cell_length_b                   5.5580(4)
_cell_length_c                   19.4670(15)
_cell_measurement_reflns_used    8428
_cell_measurement_temperature    292(2)
_cell_measurement_theta_max      27.6
_cell_measurement_theta_min      2.5
_cell_volume                     2924.3(4)
_computing_cell_refinement       'SAINT (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT (Bruker, 2001)'
_computing_molecular_graphics
;
ORTEP-3 for Windows (Farrugia, 2012) and PLATON (Spek, 2009)
;
_computing_publication_material
;
SHELXL2013 (Sheldrick, 2008); PLATON (Spek, 2009)
;
_computing_structure_refinement  'SHELXL2013 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Altomare <i>et al.</i>, 1993)'
_diffrn_ambient_temperature      292(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker SMART APEX CCD area-detector'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0225
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            16187
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.002
_diffrn_reflns_theta_min         2.126
_exptl_absorpt_coefficient_mu    6.220
_exptl_absorpt_correction_T_max  0.707
_exptl_absorpt_correction_T_min  0.699
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(<i>SADABS</i>; Bruker, 2001)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.799
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1552
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.060
_refine_diff_density_max         0.905
_refine_diff_density_min         -0.842
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     172
_refine_ls_number_reflns         3487
_refine_ls_number_restraints     23
_refine_ls_restrained_S_all      1.068
_refine_ls_R_factor_all          0.0304
_refine_ls_R_factor_gt           0.0255
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[\s^2^(Fo^2^)+(0.0483P)^2^+2.5197P]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0712
_refine_ls_wR_factor_ref         0.0743
_reflns_number_gt                3089
_reflns_number_total             3487
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ng5336.cif
_cod_data_source_block           I
_cod_database_code               2238406
_cod_database_fobs_code          2238406
_shelx_estimated_absorpt_t_min   0.369
_shelx_estimated_absorpt_t_max   0.707
_shelx_hkl_checksum              6836
_shelx_res_checksum              5484
_shelxl_version_number           20.13