Bis[<i>O</i>-isopropyl (4-ethoxyphenyl)dithiophosphonato-κ^2^<i>S</i>,<i>S</i>']lead(II)
Sewpersad, Shirveen; Van Zyl, Werner E.; Acta Crystallographica Section E 68 (2012) m1502–; doi:10.1107/S1600536812046818

data_2236876
_publ_section_title
;
 Bis[<i>O</i>-isopropyl
 (4-ethoxyphenyl)dithiophosphonato-\k^2^<i>S</i>,<i>S</i>']lead(II)
;
_journal_coeditor_code           GK2529
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1502
_journal_paper_doi               10.1107/S1600536812046818
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Pb (C11 H16 O2 P S2)2]'
_chemical_formula_moiety         'C22 H32 O4 P2 Pb S4'
_chemical_formula_sum            'C22 H32 O4 P2 Pb S4'
_chemical_formula_weight         757.85
_chemical_name_systematic
;
Bis[<i>O</i>-isopropyl (4-ethoxyphenyl)dithiophosphonato-
\k^2^<i>S</i>,<i>S</i>']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_creation_method           SHELXL-97
_cell_angle_alpha                89.297(2)
_cell_angle_beta                 85.016(2)
_cell_angle_gamma                69.0340(10)
_cell_formula_units_Z            2
_cell_length_a                   10.2092(8)
_cell_length_b                   11.7016(10)
_cell_length_c                   12.9915(10)
_cell_measurement_reflns_used    36710
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.38
_cell_measurement_theta_min      1.57
_cell_volume                     1443.5(2)
_computing_cell_refinement       'SAINT (Bruker, 2006)'
_computing_data_collection       'APEX2 (Bruker, 2006)'
_computing_data_reduction        'SAINT (Bruker, 2006)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker Kappa DUO APEXII'
_diffrn_measurement_method       '0.5\% \f scans and \w scans'
_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  0.0366
_diffrn_reflns_av_sigmaI/netI    0.0270
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            36710
_diffrn_reflns_theta_full        28.38
_diffrn_reflns_theta_max         28.38
_diffrn_reflns_theta_min         1.57
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.270
_exptl_absorpt_correction_T_max  0.5455
_exptl_absorpt_correction_T_min  0.4336
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.744
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             744
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.610
_refine_diff_density_min         -0.627
_refine_ls_extinction_coef       0
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     304
_refine_ls_number_reflns         7212
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0245
_refine_ls_R_factor_gt           0.0200
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0234P)^2^+0.0420P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0441
_refine_ls_wR_factor_ref         0.0454
_reflns_number_gt                6564
_reflns_number_total             7212
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            gk2529.cif
_cod_data_source_block           I
_cod_database_code               2236876
_cod_database_fobs_code          2236876