Poly[di-μ~2~-acetato-κ^4^<i>O</i>:<i>O</i>'-μ~3~-thiourea-κ^3^<i>S</i>:<i>S</i>:<i>S</i>-lead(II)]: a redetermination
Zouihri, Hafid; Ait Mouha, Mbark; Ba Mohamed, Bouchra; Yamni, Khalid; Tijani, Najib; IUCrData 1 (2016) x161892–; doi:10.1107/S2414314616018927

data_1544710
_publ_section_title
;
 Poly[di-\m~2~-acetato-\k^4^<i>O</i>:<i>O</i>'-\m~3~-thiourea-\k^3^<i>S</i>:<i>S</i>:<i>S</i>-lead(II)]:
 a redetermination
;
_journal_coeditor_code           SJ4071
_journal_issue                   12
_journal_name_full               IUCrData
_journal_page_first              x161892
_journal_paper_doi               10.1107/S2414314616018927
_journal_volume                  1
_journal_year                    2016
_chemical_formula_iupac          '[Pb (C2 H3 O2)2 (C1 H4 N2 S)]'
_chemical_formula_moiety         'C5 H10 N2 O4 Pb S'
_chemical_formula_sum            'C5 H10 N2 O4 Pb S'
_chemical_formula_weight         401.40
_chemical_name_systematic
Poly[di-\m~2~-acetato-\k^4^<i>O</i>:<i>O</i>'-\m~3~-thiourea-\k^3^<i>S</i>:<i>S</i>:<i>S</i>-lead(II)]
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 91.481(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.4865(2)
_cell_length_b                   15.7001(5)
_cell_length_c                   13.6313(5)
_cell_measurement_reflns_used    214
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.43
_cell_measurement_theta_min      3.14
_cell_volume                     959.85(6)
_computing_cell_refinement
;
SAINT (Bruker, 2009)
;
_computing_data_collection
;
APEX2 (Bruker, 2009)
;
_computing_data_reduction
;
SAINT (Bruker, 2009)
;
_computing_molecular_graphics
;
PLATON (Spek, 2009)
;
_computing_publication_material
;
publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEXII CCD detector'
_diffrn_measurement_method       '\w and \f'
_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  0.0360
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            13626
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.994
_diffrn_reflns_theta_min         2.595
_exptl_absorpt_coefficient_mu    17.780
_exptl_absorpt_correction_T_max  0.099
_exptl_absorpt_correction_T_min  0.005
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2009)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.778
_exptl_crystal_description       prism
_exptl_crystal_F_000             736
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.878
_refine_diff_density_min         -1.217
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     120
_refine_ls_number_reflns         1893
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.075
_refine_ls_R_factor_all          0.0162
_refine_ls_R_factor_gt           0.0153
_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^)+(0.0115P)^2^+1.9359P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0368
_refine_ls_wR_factor_ref         0.0371
_reflns_number_gt                1824
_reflns_number_total             1893
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            sj4071sup1.cif
_cod_data_source_block           I
_cod_depositor_comments          'Adding full bibliography for 1544710.cif.'
_cod_database_code               1544710
_cod_database_fobs_code          1544710
_shelx_hkl_checksum              81003
_shelx_res_checksum              47475