Crystallography Open Database

Information card for entry 7203230

7203229 << 7203230 >> 7203231

Preview

Coordinates	7203230.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H26 Na4 O20
Calculated formula	C10 H2 Na4 O20
SMILES	[Na+].[Na+].[Na+].[Na+].c1(c(cc(c(c1)C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-].O.O.O.O.O.O.O.O.O.O.O.O
Title of publication	Influence of the presence of divalent first-row transition metal ions on the structure of sodium(<small>I</small>) salts of 1,2,3,4-benzenetetracarboxylic acid (H<small><sub>4</sub></small>bta)
Authors of publication	Oscar Fabelo; Laura Cañadillas-Delgado; Jorge Pasán; Catalina Ruiz-Pérez; Miguel Julve
Journal of publication	CrystEngComm
Year of publication	2006
Journal volume	8
Journal issue	4
Pages of publication	338
a	6.9997 ± 0.0004 Å
b	16.426 ± 0.0009 Å
c	20.3312 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	2337.6 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c 21 b
Hall space group symbol	P -2bc -2c
Residual factor for all reflections	0.0949
Residual factor for significantly intense reflections	0.0589
Weighted residual factors for significantly intense reflections	0.1404
Weighted residual factors for all reflections included in the refinement	0.1582
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180363 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/32.	7203230.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7203230.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7203230.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7203230.cif