NaRuO2 and NaxRuO2.yH2O: New Oxide and Oxyhydrate with Two Dimensional RuO2Layers
Masahiro Shikano; Claude Delmas; Jacques Darriet; Inorganic Chemistry 43 (2004) 1214–1216; doi:10.1021/ic035324d

data_4310642
_publ_contact_author_address
;
ICMCB-CNRS, 87 AV. Dr. Schweitzer
33608 PESSAC cedex FRANCE
;
_publ_contact_author_email       darriet@icmcb.u-bordeaux.fr
_publ_contact_author_fax         '33 (0)5 40 00 27 61'
_publ_contact_author_name        'J. Darriet'
_publ_contact_author_phone       '33 (0)5 40 00 62 59'
_publ_section_title
;
 NaRuO2 and NaxRuO2.yH2O: New Oxide and Oxyhydrate with Two Dimensional
 RuO2Layers
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1214
_journal_page_last               1216
_journal_paper_doi               10.1021/ic035324d
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'H0.9 Na0.22 O2.45 Ru'
_chemical_formula_weight         146.3
_chemical_name_systematic        ' ?'
_space_group_IT_number           166
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_audit_creation_method           'Jana2000 Version : 30/01/2003'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   2.9298
_cell_length_b                   2.9298
_cell_length_c                   21.9127
_cell_volume                     162.893
_computing_publication_material  '(Jana2000; Petricek and Dusek, 2000)'
_computing_structure_refinement  '(Jana2000; Petricek and Dusek, 2000)'
_diffrn_measurement_device_type  'Nonius CCD'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0905
_diffrn_reflns_av_sigmaI/netI    0.0628
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       4
_diffrn_reflns_limit_k_min       -4
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            1125
_diffrn_reflns_theta_max         39.93
_diffrn_reflns_theta_min         2.79
_exptl_absorpt_coefficient_mu    6.898
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  1.000
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    4.4718
_exptl_crystal_F_000             202
_refine_diff_density_max         1.92
_refine_diff_density_min         -1.60
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_gt    1.58
_refine_ls_goodness_of_fit_ref   1.58
_refine_ls_number_parameters     10
_refine_ls_number_reflns         88
_refine_ls_R_factor_all          0.0417
_refine_ls_R_factor_gt           0.0417
_refine_ls_shift/su_max          0.0000
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     w=1/(\s^2^(I)+0.0009I^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0774
_refine_ls_wR_factor_ref         0.0774
_reflns_number_gt                88
_reflns_number_total             161
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            ic035324dsi20031117_043412.cif
_cod_data_source_block           (I)
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'None' changed to 'none' 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_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'H0.9 Na0.22 O2.45 Ru1'
_cod_database_code               4310642
_cod_database_fobs_code          4310642