Crystallography Open Database

Information card for entry 4503572

Preview

Coordinates	4503572.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H13 Co O10
Calculated formula	C5 H Co O10
Title of publication	(4,4) Rectangular Lattices of Cobalt(II) with 1,2,4,5-Benzenetetracarboxylic Acid: Influence of the Packing in the Crystal Structure†
Authors of publication	Fabelo, Oscar; Pasán, Jorge; Cañadillas-Delgado, Laura; Delgado, Fernando S.; Labrador, Ana; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	11
Pages of publication	3984
a	5.4287 ± 0.0011 Å
b	9.8286 ± 0.0016 Å
c	10.23 ± 0.003 Å
α	96.453 ± 0.016°
β	91.23 ± 0.02°
γ	91.339 ± 0.014°
Cell volume	542.1 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1069
Residual factor for significantly intense reflections	0.0694
Weighted residual factors for significantly intense reflections	0.1699
Weighted residual factors for all reflections included in the refinement	0.1899
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation probe	x-ray
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
179569 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/35.	4503572.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4503572.cif
41639	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503572 via cif-deposit CGI script.	4503572.cif