Lead(II) complexes with phosphorylthiolato and thiophosphorylthiolato ligands
Pérez-Lourido, Paulo; Romero, Jaime; García-Vázquez, José A.; Sousa, Antonio; Zheng, Yifan; Dilworth, Jonathan R.; Zubieta, Jon; Journal of the Chemical Society, Dalton Transactions  (2000) 769–; doi:10.1039/a908496g

data_7009079
_publ_section_title
;
 Lead(II) complexes with phosphorylthiolato and thiophosphorylthiolato
 ligands
;
_journal_issue                   5
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              769
_journal_paper_doi               10.1039/a908496g
_journal_year                    2000
_chemical_formula_sum            'C38 H32 P2 Pb S4'
_chemical_formula_weight         886.01
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 100.455(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.5560(10)
_cell_length_b                   15.6120(10)
_cell_length_c                   15.0520(10)
_cell_measurement_temperature    150(2)
_cell_volume                     3594.8(4)
_computing_cell_refinement
'DIP2000 software DENZO (Otwinowski & Minor, 1996)'
_computing_data_collection       'DIP2000 software Xpress (MAC science, 1989)'
_computing_data_reduction
'DIP2000 software DENZO (Otwinowski & Minor, 1996)'
_computing_molecular_graphics    'ZORTEP (Zsolnai, 1994)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Enraf-nonius DIP2000 '
_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  0.0342
_diffrn_reflns_av_sigmaI/netI    0.0421
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            6712
_diffrn_reflns_theta_full        26.41
_diffrn_reflns_theta_max         26.41
_diffrn_reflns_theta_min         1.86
_exptl_absorpt_coefficient_mu    5.041
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.637
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       brick
_exptl_crystal_F_000             1744
_exptl_crystal_size_max          1.0
_exptl_crystal_size_mid          0.5
_exptl_crystal_size_min          0.5
_refine_diff_density_max         2.216
_refine_diff_density_min         -1.415
_refine_diff_density_rms         0.150
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.047(10)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.121
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     369
_refine_ls_number_reflns         3804
_refine_ls_number_restraints     68
_refine_ls_restrained_S_all      1.124
_refine_ls_R_factor_all          0.0497
_refine_ls_R_factor_gt           0.0475
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0589P)^2^+31.1723P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1164
_refine_ls_wR_factor_ref         0.1183
_reflns_number_gt                3670
_reflns_number_total             3804
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            a908496g.txt
_cod_data_source_block           compound5
_cod_original_sg_symbol_H-M      Cc
_cod_database_code               7009079