(2,2'-Bipyridine)bis(tri-<i>tert</i>-butoxysilanethiolato-κ<i>S</i>)lead(II) and (4,7-diphenyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(tri-<i>tert</i>-butoxysilanethiolato-κ<i>S</i>)lead(II) benzene hemisolvate
Chojnacki, Jaroslaw; Kloskowska, Magdalena; Janowska, Urszula; Wojnowski, Wieslaw; Acta Crystallographica Section C 63 (2007) m349–m351; doi:10.1107/S0108270107029629

data_2016081
_publ_section_title
;(2,2'-Bipyridine)bis(tri-<i>tert</i>-butoxysilanethiolato-\k<i>S</i>)lead(II)
 and
 (4,7-diphenyl-1,10-phenanthroline-\k^2^<i>N</i>,<i>N</i>')bis(tri-<i>tert</i>-butoxysilanethiolato-\k<i>S</i>)lead(II)
 benzene hemisolvate
;
_journal_coeditor_code           BG3039
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m349
_journal_page_last               m351
_journal_paper_doi               10.1107/S0108270107029629
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac
'[Pb (C12 H27 O3 S Si)2 (C24 H16 N2)] , 0.5C6 H6'
_chemical_formula_moiety         'C48 H70 N2 O6 Pb S2 Si2 , 0.5C6 H6'
_chemical_formula_sum            'C51 H73 N2 O6 Pb S2 Si2'
_chemical_formula_weight         1137.6
_chemical_name_systematic
;
(4,7-diphenyl-1,10-phenanthroline-\k^2^N,N')bis(tri-<i>tert</i>-
butoxysilanethiolato-\kS)lead(II) benzene hemisolvate
;
_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_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                84.57(3)
_cell_angle_beta                 83.05(3)
_cell_angle_gamma                85.29(3)
_cell_formula_units_Z            2
_cell_length_a                   10.204(2)
_cell_length_b                   13.359(3)
_cell_length_c                   21.109(4)
_cell_measurement_reflns_used    49
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      37.92
_cell_measurement_theta_min      4.37
_cell_volume                     2836.2(10)
_computing_cell_refinement       'KM4 System'
_computing_data_collection
'KM4 System (Ga\/ldecki, Kowalski et al., 1996)'
_computing_data_reduction
'DATAPROC (Ga\/ldecki, Kowalski & Uszy\'nski, 1996)'
_computing_molecular_graphics
'Mercury (Version 1.5; Macrae <i>et al.</i>,  2006)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 1
_diffrn_measurement_device_type  'Oxford Diffraction KM4 single-point'
_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  0.053
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            10564
_diffrn_reflns_theta_full        25.1
_diffrn_reflns_theta_max         25.1
_diffrn_reflns_theta_min         2.02
_diffrn_standards_decay_%        5.65
_diffrn_standards_interval_count 200
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    3.134
_exptl_absorpt_correction_T_max  0.359
_exptl_absorpt_correction_T_min  0.198
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North <i>et al.</i>,  1968)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.332
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       fragment
_exptl_crystal_F_000             1166
_exptl_crystal_size_max          0.6
_exptl_crystal_size_mid          0.41
_exptl_crystal_size_min          0.32
_refine_diff_density_max         0.836
_refine_diff_density_min         -0.799
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     648
_refine_ls_number_reflns         10091
_refine_ls_number_restraints     115
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.0781
_refine_ls_R_factor_gt           0.0372
_refine_ls_shift/su_max          0.012
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0755P)^2^+0.8361P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0983
_refine_ls_wR_factor_ref         0.118
_reflns_number_gt                7445
_reflns_number_total             10091
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bg3039.cif
_cod_data_source_block           II
_cod_database_code               2016081
_cod_database_fobs_code          2016081