Crystallography Open Database

Information card for entry 4342503

Preview

Coordinates	4342503.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	blue-green corrosion product
Chemical name	sodium copper formate hydroxide oxide hydrate
Formula	C8 H18 Cu4 Na4 O23
Calculated formula	C8 H18 Cu4 Na4 O23
SMILES	C(=O)O[Cu]123[OH][Cu]45([O]61[Cu](OC=O)([O]=CO3)([OH][Cu]6(OC=O)([O]=CO4)OC=[O]2)OC=[O]5)OC=O.O.[Na+].[Na+].O.O.O.[Na+].[Na+]
Title of publication	Solid-state structure of a degradation product frequently observed on historic metal objects.
Authors of publication	Dinnebier, Robert E.; Runčevski, Tomče; Fischer, Andrea; Eggert, Gerhard
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	6
Pages of publication	2638 - 2642
a	8.425109 ± 0.000097 Å
b	8.425109 ± 0.000097 Å
c	17.47962 ± 0.00029 Å
α	90°
β	90°
γ	90°
Cell volume	1240.75 ± 0.03 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	86
Hermann-Mauguin space group symbol	P 42/n :1
Hall space group symbol	P 4n -1n
Residual factor for all reflections	0.549
Goodness-of-fit parameter for all reflections	1.595
Method of determination	powder diffraction
Diffraction radiation wavelength	0.7093 Å
Diffraction radiation type	MoKα1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
268283 (current)	2021-08-30	cif/4: Fixing Z values and formulae	4342503.cif
179528	2016-03-24	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/25.	4342503.cif
134772	2015-04-04	cif/ Updating files of 4342503 Original log message: Adding full bibliography for 4342503.cif.	4342503.cif
132383	2015-02-25	cif/ Adding structures of 4342503 via cif-deposit CGI script.	4342503.cif