Electrochemical calcium extraction from 1D-Ca<sub>3</sub>Co<sub>2</sub>O<sub>6</sub>.
Tchitchekova, Deyana S.; Frontera, Carlos; Ponrouch, Alexandre; Krich, Christopher; Bardé, Fanny; Palacín, M Rosa; Dalton transactions (Cambridge, England : 2003) 47 (2018) 11298–11302; doi:10.1039/c8dt01754a

data_7046676
_publ_section_title
;
 Electrochemical calcium extraction from
 1D-Ca<sub>3</sub>Co<sub>2</sub>O<sub>6</sub>.
;
_journal_issue                   33
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11298
_journal_page_last               11302
_journal_paper_doi               10.1039/c8dt01754a
_journal_volume                  47
_journal_year                    2018
_chemical_formula_sum            'Ca1.155 Co O6'
_chemical_formula_weight         201.2
_space_group_IT_number           166
_space_group_name_Hall           '-R 3 2"'
_space_group_name_H-M_alt        'R -3 m :H'
_space_group_ssg_name            R-3m(00\g)0s
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   9.1271
_cell_length_b                   9.1271
_cell_length_c                   2.4228
_cell_measurement_temperature    293
_cell_modulation_dimension       1
_cell_subsystems_number          2
_cell_volume                     174.789
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_wavelength     0.63556
_exptl_absorpt_coefficient_mu    7.081
_exptl_crystal_density_diffrn    5.7348
_exptl_crystal_F_000             152
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.006
_pd_meas_2theta_range_max        68.094
_pd_meas_2theta_range_min        1.026
_pd_meas_number_of_points        11179
_pd_proc_2theta_range_inc        0.006
_pd_proc_2theta_range_max        68.094
_pd_proc_2theta_range_min        4.002
_pd_proc_ls_background_function  'Manual background'
_pd_proc_ls_pref_orient_corr     none
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.0440
_pd_proc_ls_prof_wR_expected     0.0046
_pd_proc_ls_prof_wR_factor       0.0586
_refine_ls_goodness_of_fit_all   12.84
_refine_ls_number_constraints    2
_refine_ls_number_parameters     22
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0514
_refine_ls_R_factor_gt           0.0505
_refine_ls_shift/su_max          10.6244
_refine_ls_shift/su_mean         3.8743
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0613
_refine_ls_wR_factor_gt          0.0612
_cod_data_source_file            c8dt01754a1.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_diffrn_radiation_probe' value 'X-ray' changed to 'x-ray' according
to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 7046676.cif.
;
_cod_original_cell_volume        174.7925
_cod_original_formula_sum        'Ca1.155 Co1 O6'
_cod_database_code               7046676