Crystallography Open Database

Information card for entry 2101020

Preview

No preview available: file is not found.

Coordinates	Coordinates are not available: file is not found.
Original IUCr paper	HTML

Structure parameters

Formula	C8 H13 Ca Na2 O13
Calculated formula	C8 H12 Ca Na2 O13
SMILES	[C@H](O[C@@H](C(=O)[O-])CC(=O)[O-])(C(=O)[O-])[C@H](C(=O)[O-])O.[Na+].[Na+].[Ca+2].O.O.O.[C@@H](O[C@H](C(=O)[O-])CC(=O)[O-])(C(=O)[O-])[C@@H](C(=O)[O-])O.[Na+].[Na+].[Ca+2].O.O.O
Title of publication	Structure of disodium monocalcium tartrate monosuccinate trihydrate, Na~2~(CaTMS).3H~2~O
Authors of publication	Emge, T. J.; Oliver, J. D.; Connor, D. S.; Thoman, S. M.; Jason, M. E.
Journal of publication	Acta Crystallographica Section B
Year of publication	1993
Journal volume	49
Journal issue	4
Pages of publication	675 - 679
a	7.989 ± 0.001 Å
b	16.543 ± 0.002 Å
c	11.416 ± 0.001 Å
α	90°
β	106.48 ± 0.01°
γ	90°
Cell volume	1446.8 ± 0.3 Å³
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	Mo
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Version history is temporarily not available due to server issues.