Cerous Potassium Nitrate, K~3~Ce~2~(NO~3~)~9~
Guillou, N.; Auffrédic, J. P.; Louër, D.; Acta Crystallographica Section C 51 (1995) 1032–1034; doi:10.1107/S0108270194014939

data_2003542
_publ_section_title
;
 Cerous Potassium Nitrate, K~3~Ce~2~(NO~3~)~9~
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1032
_journal_page_last               1034
_journal_paper_doi               10.1107/S0108270194014939
_journal_volume                  51
_journal_year                    1995
_chemical_compound_source        'see text'
_chemical_formula_moiety         'K3 Ce2 N9 O27'
_chemical_formula_sum            'Ce2 K3 N9 O27'
_chemical_formula_weight         955.6
_space_group_IT_number           213
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'P 4bd 2ab 3'
_symmetry_space_group_name_H-M   'P 41 3 2'
_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                   13.5975(8)
_cell_length_b                   13.5975(8)
_cell_length_c                   13.5975(8)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    293
_cell_measurement_theta_max      12.7
_cell_measurement_theta_min      7.3
_cell_volume                     2514.1(3)
_diffrn_measurement_device       'Enraf-Nonius CAD4'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.081
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4064
_diffrn_reflns_theta_max         30
_diffrn_standards_decay_%        2.2
_diffrn_standards_interval_time  60
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    4.255
_exptl_absorpt_correction_T_max  0.9549
_exptl_absorpt_correction_T_min  0.5299
_exptl_absorpt_correction_type
'empirical, \y scan (North, Philips & Mathews)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.525
_exptl_crystal_description       block
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.6
_refine_diff_density_min         -0.5
_refine_ls_extinction_coef       6.8E-8
_refine_ls_extinction_method     'Stout & Jensen (1968)'
_refine_ls_goodness_of_fit_obs   1.25
_refine_ls_hydrogen_treatment    'No H atoms'
_refine_ls_number_parameters     65
_refine_ls_number_reflns         1857
_refine_ls_R_factor_obs          0.044
_refine_ls_shift/esd_max         <0.01
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(F)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.055
_reflns_number_observed          1857
_reflns_number_total             2910
_reflns_observed_criterion       >3\s(I)
_cod_data_source_file            du1104.cif
_cod_data_source_block           du1104a
_cod_depositor_comments
;
The following automatic conversions were performed:

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

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2514.1(4)
_cod_original_formula_sum        'K3 Ce2 (N O3)9'
_cod_database_code               2003542