A redetermination of lead(IV) acetate
Markus Schürmann; Friedo Huber; Acta Crystallographica Section C 50 (1994) 1710–1713; doi:10.1107/S0108270194006438

data_2010135
_publ_section_title
;
 A redetermination of lead(IV) acetate
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1710
_journal_page_last               1713
_journal_paper_doi               10.1107/S0108270194006438
_journal_volume                  50
_journal_year                    1994
_chemical_formula_structural     '[Pb(OAc)~4~]'
_chemical_formula_sum            'C8 H12 O8 Pb'
_chemical_formula_weight         443.36
_chemical_melting_point          .448E-305
_chemical_name_systematic
;
 Lead(IV) acetate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 103.71(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   7.781(3)
_cell_length_b                   26.726(9)
_cell_length_c                   12.781(8)
_cell_measurement_reflns_used    35
_cell_measurement_temperature    170.0(10)
_cell_measurement_theta_max      15.3
_cell_measurement_theta_min      7.7
_cell_volume                     2582(2)
_diffrn_ambient_temperature      170.0(10)
_diffrn_measurement_device       'Nicolet R3m/V'
_diffrn_measurement_method       \w/2\q
_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  0.0422
_diffrn_reflns_av_sigmaI/netI    0.0726
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            4955
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         1.81
_diffrn_standards_decay_%        2.1
_diffrn_standards_interval_count 300
_diffrn_standards_number         6
_exptl_absorpt_coefficient_mu    13.093
_exptl_absorpt_correction_T_max  0.885
_exptl_absorpt_correction_T_min  0.234
_exptl_absorpt_correction_type   'empirical, \y-scans'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.281
_exptl_crystal_description       block
_exptl_crystal_F_000             1648
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.20
_refine_diff_density_max         '2.374 (near Pb(2), 0.879(11) \%A)'
_refine_diff_density_min         -4.594
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   0.940
_refine_ls_goodness_of_fit_obs   1.077
_refine_ls_hydrogen_treatment    'only H atoms U refined'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     308
_refine_ls_number_reflns         4422
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.003
_refine_ls_restrained_S_obs      1.077
_refine_ls_R_factor_all          0.0893
_refine_ls_R_factor_obs          0.0585
_refine_ls_shift/esd_max         0.000
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
;calc w = 1/[\s^2^(F~o~^2^)+(0.1115P)^2^+0.0000P] where
 P = (F~o~^2^+2F~c~^2^)/3
;
_refine_ls_wR_factor_all         0.1786
_refine_ls_wR_factor_obs         0.1542
_reflns_number_observed          2948
_reflns_number_total             4436
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ab1189.cif
_cod_data_source_block           361
_cod_original_cell_volume        2582.(2)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C8 H12 O8 Pb1'
_cod_database_code               2010135