Crystallography Open Database

Information card for entry 2312617

Preview

Coordinates	2312617.cif
Original IUCr paper	HTML

Structure parameters

Common name	Calcium (2<i>R</i>,3<i>R</i>)-tartrate tetrahydrate
Chemical name	Poly[[diaqua[μ~4~-(2<i>R</i>,3<i>R</i>)-2,3-dihydroxybutanedioato]calcium(II)] dihydrate]
Formula	C4 H12 Ca O10
Calculated formula	C4 H12 Ca O10
Title of publication	Revisiting a natural wine salt: calcium (2R,3R)-tartrate tetrahydrate.
Authors of publication	Polo, Alvaro; Soriano, Alejandro; Rodríguez, Ricardo; Macías, Ramón; García-Orduña, Pilar; Sanz Miguel, Pablo J.
Journal of publication	Acta crystallographica. Section C, Structural chemistry
Year of publication	2024
Journal volume	80
Journal issue	10
a	9.1587 ± 0.0004 Å
b	9.5551 ± 0.0004 Å
c	10.5041 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	919.24 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0138
Residual factor for significantly intense reflections	0.0137
Weighted residual factors for significantly intense reflections	0.0351
Weighted residual factors for all reflections included in the refinement	0.0352
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
294360 (current)	2024-09-04	cif/ Adding structures of 2312617 via cif-deposit CGI script.	2312617.cif