Na~2~O~2~.8H~2~O
Grehl, M.; Fröhlich, R.; Thiele, S.; Acta Crystallographica Section C 51 (1995) 1038–1040; doi:10.1107/S010827019401382X

data_2003594
_publ_section_title
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 Na~2~O~2~.8H~2~O
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_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1038
_journal_page_last               1040
_journal_paper_doi               10.1107/S010827019401382X
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'H16 Na2 O10'
_chemical_formula_weight         222.10
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_type_scat_source           IntTabC
_cell_angle_alpha                90
_cell_angle_beta                 118.42(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.351(3)
_cell_length_b                   6.468(1)
_cell_length_c                   11.498(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      18.56
_cell_measurement_theta_min      11.08
_cell_volume                     938.6(3)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0108
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            1014
_diffrn_reflns_theta_max         26.33
_diffrn_standards_decay_%        'within statistical fluctuation'
_diffrn_standards_interval_count 250
_diffrn_standards_interval_time  120
_diffrn_standards_number
;3 intensity standard reflection monitored every 120 mins, intensity
variation was within statistical fluctuation; 2 orientation standard
reflections monitored every 250 reflections
;
_exptl_absorpt_coefficient_mu    0.242
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.572
_exptl_crystal_description       irregular
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.159
_refine_diff_density_min         -0.136
_refine_ls_extinction_coef       '\c = 0.029(2)'
_refine_ls_extinction_method     kF~c~[1+0.001\cF~c~^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_goodness_of_fit_obs   1.208
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     88
_refine_ls_number_reflns         953
_refine_ls_R_factor_obs          0.0241
_refine_ls_shift/esd_max         0.00
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo)^2^+(0.0294P)^2^+0.44P], where P = (Fo^2^ + 2F~c~^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0700
_reflns_number_observed          815
_reflns_number_total             953
_reflns_observed_criterion       I>=2\s(I)
_cod_data_source_file            oh1071.cif
_cod_data_source_block           oh1071a
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value
'w=1/[\s^2^(Fo)^2^+(0.0294P)^2^+0.44P], where P = (Fo^2^ +
2F~c~^2^)/3' 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^(Fo)^2^+(0.0294P)^2^+0.44P], where P = (Fo^2^ +
2F~c~^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2003594