Crystallography Open Database

Information card for entry 7701348

Preview

Coordinates	7701348.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Ca3(CH3-COO)4(HCOO)2*4H2O
Formula	C10 H22 Ca3 O16
Calculated formula	C10 H2 Ca3 O16
SMILES	[Ca+2].[Ca]([OH2])[OH2].[Ca]([OH2])[OH2].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].C(=O)[O-].C(=O)[O-]
Title of publication	Efflorescence on calcareous objects in museums: crystallisation, phase characterisation and crystal structures of calcium acetate formate phases.
Authors of publication	Bette, Sebastian; Müller, Michael X; Eggert, Gerhard; Schleid, Thomas; Dinnebier, Robert E.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	42
Pages of publication	16062 - 16073
a	6.86548 ± 0.00005 Å
b	6.86548 ± 0.00005 Å
c	45.5454 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2146.77 ± 0.04 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	4
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
RFsqd	0.0339
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.5406 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
224029 (current)	2019-11-07	cif/ Updating files of 7701347, 7701348 Original log message: Adding full bibliography for 7701347--7701348.cif.	7701348.cif
219234	2019-10-10	cif/ Adding structures of 7701347, 7701348 via cif-deposit CGI script.	7701348.cif