Crystallography Open Database

Information card for entry 7215879

Preview

Coordinates	7215879.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	caesium rubidium D,L-tartrate
Formula	C4 H4 Cs O6 Rb
Calculated formula	C4 H4 Cs O6 Rb
Title of publication	Interplay between hydrogen bonding and metal coordination in alkali metal tartrates and hydrogen tartrates
Authors of publication	Gelbrich, Thomas; Threlfall, Terence L.; Hursthouse, M.
Journal of publication	CrystEngComm
Year of publication	2014
a	7.2835 ± 0.0005 Å
b	7.2835 ± 0.0005 Å
c	13.2453 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	608.52 ± 0.07 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	152
Hermann-Mauguin space group symbol	P 31 2 1
Hall space group symbol	P 31 2"
Residual factor for all reflections	0.0276
Residual factor for significantly intense reflections	0.0259
Weighted residual factors for significantly intense reflections	0.0621
Weighted residual factors for all reflections included in the refinement	0.0627
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7215879.cif
113623	2014-05-13	cif/ Adding structures of 7215876, 7215877, 7215878, 7215879 via cif-deposit CGI script.	7215879.cif