Two Polymorphic Forms of Ceric Potassium Nitrate, K~2~Ce(NO~3~)~6~
Guillou, N.; Louër, M.; Auffrédic, J. P.; Louër, D.; Acta Crystallographica Section C 51 (1995) 1029–1032; doi:10.1107/S0108270194014927

data_2003541
_publ_section_title
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 Two Polymorphic Forms of Ceric Potassium Nitrate, K~2~Ce(NO~3~)~6~
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_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1029
_journal_page_last               1032
_journal_paper_doi               10.1107/S0108270194014927
_journal_volume                  51
_journal_year                    1995
_chemical_compound_source        'see text'
_chemical_formula_moiety         'K2 Ce (N O3 )6'
_chemical_formula_sum            'Ce K2 N6 O18'
_chemical_formula_weight         590.3
_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           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 91.547(8)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.707(4)
_cell_length_b                   6.6858(6)
_cell_length_c                   8.2535(7)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      12
_cell_measurement_theta_min      9
_cell_volume                     700.9(2)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.028
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            1866
_diffrn_reflns_theta_max         27
_diffrn_standards_decay_%        -2.9
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    4.0
_exptl_absorpt_correction_T_max  0.720
_exptl_absorpt_correction_T_min  0.552
_exptl_absorpt_correction_type   'empirical (DIFABS; Walker & Stuart, 1983)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.798
_exptl_crystal_description       irregular
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.6
_refine_diff_density_min         -1.8
_refine_ls_extinction_coef       1.9E-7
_refine_ls_extinction_method     'Stout & Jensen (1968)'
_refine_ls_goodness_of_fit_obs   2.2
_refine_ls_number_parameters     125
_refine_ls_number_reflns         1354
_refine_ls_R_factor_obs          0.042
_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         0.061
_reflns_number_observed          1354
_reflns_number_total             1530
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            du1103.cif
_cod_data_source_block           II
_cod_depositor_comments
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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 
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_cod_original_cell_volume        700.95(8)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2003541