Structure of lead(II) oxalate dihydrate
Virovets, A. V.; Naumov, D. Yu.; Boldyreva, E. V.; Podberezskaya, N. V.; Acta Crystallographica Section C 49 (1993) 1882–1884; doi:10.1107/S0108270193004652

data_2001194
_publ_section_title
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 Structure of lead(II) oxalate dihydrate
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1882
_journal_page_last               1884
_journal_paper_doi               10.1107/S0108270193004652
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C2 O4 Pb1,2(H2 O)'
_chemical_formula_sum            'C2 H4 O6 Pb'
_chemical_formula_weight         331.2
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2c -2n'
_symmetry_space_group_name_H-M   'P n a m'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   9.0530(10)
_cell_length_b                   8.0360(10)
_cell_length_c                   7.8340(10)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    296
_cell_measurement_theta_max      46.4
_cell_measurement_theta_min      31.9
_cell_volume                     569.92(12)
_computing_cell_refinement
' XTL Structure Determination System (Syntex (1973).'
_computing_data_collection
' XTL Structure Determination System (Syntex (1973).'
_computing_data_reduction
' XTL Structure Determination System (Syntex Analytical Instruments, USA)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_structure_refinement  'YANX (Gerr, Yanovskii & Struchkov, 1983)'
_computing_structure_solution    ' SHELXS (Sheldrick, 1990)'
_diffrn_measurement_device       'Syntex P2~1~'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            490
_diffrn_reflns_theta_max         57.5
_diffrn_standards_decay_%        <=7
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    57.3
_exptl_absorpt_correction_T_max  1.38
_exptl_absorpt_correction_T_min  1.00
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    3.860
_exptl_crystal_description       Needle
_exptl_crystal_size_max          0.75
_exptl_crystal_size_mid          0.006
_exptl_crystal_size_min          0.005
_refine_diff_density_max         0.486
_refine_diff_density_min         -0.513
_refine_ls_extinction_coef       'secondary 3.5x10^-3^'
_refine_ls_extinction_method     'Larson (1967)'
_refine_ls_goodness_of_fit_obs   1.210
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     55
_refine_ls_number_reflns         378
_refine_ls_R_factor_obs          0.0270
_refine_ls_shift/esd_max         0.02
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w=1/[\s(F~o~)^2^ + 0.0004F~o~^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0280
_reflns_number_observed          378
_reflns_number_total             490
_reflns_observed_criterion       I>2\s(I)
_cod_data_source_file            ab1074.cif
_cod_data_source_block           ab1074a
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w=1/[\s(F~o~)^2^ +
0.0004F~o~^2^]' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w=1/[\s(F~o~)^2^ + 0.0004F~o~^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        569.9(2)
_cod_original_formula_sum        'C2 H4 O6 Pb1'
_cod_database_code               2001194