Lead Diselenite
Jussi Valkonen; Acta Crystallographica Section C 51 (1995) 1–3; doi:10.1107/S0108270194005093

data_2002901
_publ_contact_author
;
   Valkonen, Jussi
   University of Jyv\"askyl\"a
   Department of Chemistry
   P.O. Box 35
   FIN-40351 Jyv\"askyl\"a
   Finland
;
_publ_section_title
;
 Lead Diselenite
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1
_journal_page_last               3
_journal_paper_doi               10.1107/S0108270194005093
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         'Pb2 Se2 O5'
_chemical_formula_structural     'Pb (Se2 O5)'
_chemical_formula_sum            'O5 Pb Se2'
_chemical_formula_weight         445.11
_chemical_name_common            'Lead diselenite'
_chemical_name_systematic        'Lead diselenate(IV)'
_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'
_atom_type_scat_source
'International Tables Vol IV Table 2.3.1 and 2.2B'
_cell_angle_alpha                90
_cell_angle_beta                 90.33(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.515(1)
_cell_length_b                   9.503(3)
_cell_length_c                   11.618(2)
_cell_measurement_radiation      'Mo K\a'
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295
_cell_measurement_theta_max      20.6
_cell_measurement_theta_min      15.3
_cell_measurement_wavelength     0.71073
_cell_volume                     498.5(2)
_computing_cell_refinement       'CAD4 software'
_computing_data_collection       'CAD4 Software (Enraf-Nonius, 1989)'
_computing_data_reduction        'MOLEN (Fair, 1990)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_structure_refinement  MOLEN
_computing_structure_solution    'MULTAN11/82 (Main et al., 1982)'
_diffrn_ambient_temperature      295
_diffrn_measurement_device       'Enraf-Nonius CAD4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         xray_tube
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            1543
_diffrn_reflns_theta_max         30.0
_diffrn_reflns_theta_min         2.0
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 50
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    48.5
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.844
_exptl_absorpt_correction_type   'empirical (North, Phillips & Mathews, 1968)'
_exptl_absorpt_process_details   '\f-scan, North, Phillips & Mathews, (1968)'
_exptl_crystal_colour            yellowish
_exptl_crystal_density_diffrn    5.93
_exptl_crystal_description       prism
_exptl_crystal_F_000             760
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.07
_refine_diff_density_max         2.64
_refine_diff_density_min         -3.00
_refine_ls_extinction_coef       5.86E-7(9)
_refine_ls_extinction_method     'Zachariasen (1963)'
_refine_ls_goodness_of_fit_obs   0.53
_refine_ls_matrix_type           full
_refine_ls_number_parameters     74
_refine_ls_number_reflns         1165
_refine_ls_R_factor_obs          .034
_refine_ls_shift/esd_max         .0049
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         .043
_reflns_number_observed          1165
_reflns_number_total             1543
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            ab1172.cif
_cod_data_source_block           default
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               2002901