Solid-state structure of a degradation product frequently observed on historic metal objects.
Dinnebier, Robert E.; Runčevski, Tomče; Fischer, Andrea; Eggert, Gerhard; Inorganic chemistry 54 (2015) 2638–2642; doi:10.1021/ic5027637

data_4342503
_publ_section_title
;
 Solid-state structure of a degradation product frequently observed on
 historic metal objects.
;
_journal_issue                   6
_journal_name_full               'Inorganic chemistry'
_journal_page_first              2638
_journal_page_last               2642
_journal_paper_doi               10.1021/ic5027637
_journal_volume                  54
_journal_year                    2015
_chemical_formula_moiety         'C8 H18 Cu4 Na4 O23'
_chemical_formula_structural     'C8 H18 Cu4 Na4 O23'
_chemical_formula_sum            'C8 H18 Cu4 Na4 O23'
_chemical_formula_weight         828.36
_chemical_name_common            'blue-green corrosion product'
_chemical_name_systematic
'sodium copper formate hydroxide oxide hydrate'
_space_group_IT_number           86
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      86
_symmetry_space_group_name_Hall  'P 4n -1n'
_symmetry_space_group_name_H-M   'P 42/n :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.425109(97)
_cell_length_b                   8.425109(97)
_cell_length_c                   17.47962(29)
_cell_measurement_temperature    293
_cell_measurement_wavelength     0.7093
_cell_volume                     1240.75(3)
_computing_structure_refinement  'TOPAS-4.2 (Bruker AXS 2009)'
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      293
_diffrn_measurement_device_type  Bruker
_diffrn_radiation_type           MoK\a1
_diffrn_radiation_wavelength     0.7093
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_target            Mo
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    2.217
_exptl_crystal_description       powder
_pd_meas_scan_method             step
_pd_proc_2theta_range_inc        0.015
_pd_proc_2theta_range_max        85.000000
_pd_proc_2theta_range_min        5.000000
_pd_proc_ls_background_function  'Chebyshev polynoms'
_pd_proc_ls_profile_function     'fundamental parameter'
_pd_proc_ls_prof_R_factor        1.259
_pd_proc_ls_prof_wR_expected     1.042
_pd_proc_ls_prof_wR_factor       1.662
_pd_proc_wavelength              0.7093
_refine_ls_goodness_of_fit_all   1.595
_refine_ls_hydrogen_treatment    'added by Mercury'
_refine_ls_number_parameters     70
_refine_ls_R_factor_all          0.549
_cod_data_source_file            ic5027637_si_001.cif
_cod_data_source_block           Corr1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26 (8
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/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 3008 2015-01-20 13:52:24Z robertas 

 Adding full bibliography for 4342503.cif.

2021-08-30
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'C4 H9 Cu2 Na2 O11.5'
_cod_original_formula_weight         414.18
_cod_original_formula_moiety         'C4 H9 Cu2 Na2 O11.5'
_cod_original_formula_units_Z            4
_cod_original_cell_volume        1240.747(35)
_cod_original_sg_symbol_H-M      P42/n
_cod_database_code               4342503