(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_2016080
_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 (C10 H8 N2)]'
_chemical_formula_moiety         'C34 H62 N2 O6 Pb1 S2 Si2'
_chemical_formula_sum            'C34 H62 N2 O6 Pb S2 Si2'
_chemical_formula_weight         922.35
_chemical_name_systematic
;
(2,2'-Bipyridine)bis(tri-<i>tert</i>-butoxysilanethiolato-\kS)lead(II)
;
_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                107.361(5)
_cell_angle_beta                 99.069(4)
_cell_angle_gamma                101.086(4)
_cell_formula_units_Z            2
_cell_length_a                   9.4053(4)
_cell_length_b                   13.8617(7)
_cell_length_c                   18.0405(9)
_cell_measurement_reflns_used    15949
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      32.4707
_cell_measurement_theta_min      2.3064
_cell_volume                     2144.1(2)
_computing_cell_refinement       'CrysAlis RED (Oxford Diffraction, 2006)'
_computing_data_collection       'CrysAlis CCD (Oxford Diffraction, 2006)'
_computing_data_reduction        'CrysAlis RED'
_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      120(2)
_diffrn_detector_area_resol_mean 8.1883
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Oxford Diffraction KM4 CCD'
_diffrn_measurement_method       '0.75\% \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0302
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            17997
_diffrn_reflns_theta_full        28
_diffrn_reflns_theta_max         28
_diffrn_reflns_theta_min         2.31
_exptl_absorpt_coefficient_mu    4.127
_exptl_absorpt_correction_T_max  0.69511
_exptl_absorpt_correction_T_min  0.50331
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrysAlis RED; Oxford Diffraction, 2006)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.429
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             940
_exptl_crystal_size_max          0.49
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.09
_refine_diff_density_max         2.114
_refine_diff_density_min         -1.547
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.155
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     442
_refine_ls_number_reflns         10174
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.155
_refine_ls_R_factor_all          0.0489
_refine_ls_R_factor_gt           0.0398
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0500P)^2^+3.7754P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.095
_refine_ls_wR_factor_ref         0.0994
_reflns_number_gt                9037
_reflns_number_total             10174
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bg3039.cif
_cod_data_source_block           I
_cod_database_code               2016080
_cod_database_fobs_code          2016080