Cadmium diselenite and cadmium hydrogenselenite selenite
Valkonen, J.; Acta Crystallographica Section C 50 (1994) 1381–1384; doi:10.1107/S010827019301128X

data_2010005
_publ_section_title
;
 Cadmium diselenite and cadmium hydrogenselenite selenite
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1381
_journal_page_last               1384
_journal_paper_doi               10.1107/S010827019301128X
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'Cd3 H2 O12 Se4'
_chemical_formula_weight         847.05
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 112.620(10)
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   9.4050(10)
_cell_length_b                   9.147(2)
_cell_length_c                   7.2840(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298
_cell_measurement_theta_max      13.66
_cell_measurement_theta_min      7.88
_cell_volume                     578.42(17)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       2\q/\w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            3743
_diffrn_reflns_theta_max         40
_diffrn_standards_decay_%        <2
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    17.97
_exptl_absorpt_correction_T_max  1.209
_exptl_absorpt_correction_T_min  0.890
_exptl_absorpt_correction_type   ' empirical, DIFABS (Walker & Stuart, 1983)'
_exptl_crystal_colour            White
_exptl_crystal_density_diffrn    4.86
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         2.92
_refine_diff_density_min         -2.43
_refine_ls_extinction_coef       g=1.13E-8
_refine_ls_extinction_method
' |F~c~|=|F~o~|(1+gI~c~) Stout & Jensen (1968)'
_refine_ls_goodness_of_fit_obs   2.83
_refine_ls_hydrogen_treatment    'H atoms could not be located'
_refine_ls_number_parameters     89
_refine_ls_number_reflns         2579
_refine_ls_R_factor_obs          3.5
_refine_ls_shift/esd_max         0.005
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         4.6
_reflns_number_observed          2579
_reflns_number_total             3743
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            ab1079.cif
_cod_data_source_block           ab1079b
_cod_original_cell_volume        578.50(10)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2010005