Crystallography Open Database

Information card for entry 4339902

Preview

Coordinates	4339902.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H6 Na2 O6
Calculated formula	C4 H6 Na2 O6
SMILES	[Na+].[Na+].O[C@H](C(=O)[O-])CC(=O)[O-].O
Title of publication	Selective ligand conversion of ethylenediamine tetraacetate to its triacetate on peroxotitanate(IV).
Authors of publication	Zhou, Zhao-Hui; Deng, Yuan-Fu; Liu, Qiong-Xin; Zhang, Hua-Lin; Mak, Thomas C. W.; Chow, Yuan L.
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	17
Pages of publication	6846 - 6848
a	6.2573 ± 0.0004 Å
b	9.6814 ± 0.0006 Å
c	11.1333 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	674.45 ± 0.07 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 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	0.0356
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0916
Weighted residual factors for all reflections included in the refinement	0.0918
Goodness-of-fit parameter for all reflections included in the refinement	1.098
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
179502 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/99.	4339902.cif
117607	2014-06-15	cif/ Adding structures of 4339902 via cif-deposit CGI script.	4339902.cif