Crystallography Open Database

Information card for entry 4331626

Preview

Coordinates	4331626.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[V(IV)O(BPDC)]
Formula	C14 O5 V
Calculated formula	C7 O2.5 V0.5
Title of publication	New VIV-Based Metal-Organic Framework Having Framework Flexibility and High CO2Adsorption Capacity
Authors of publication	Ying-Ya Liu; Sarah Couck; Matthias Vandichel; Maciej Grzywa; Karen Leus; Shyam Biswas; Dirk Volkmer; Jorge Gascon; Freek Kapteijn; Joeri F. M. Denayer; Michel Waroquier; Veronique Van Speybroeck; Pascal Van Der Voort
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	113 - 120
a	21.443 ± 0.003 Å
b	6.957 ± 0.004 Å
c	20.57 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	3068.6 ± 1.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	74
Hermann-Mauguin space group symbol	I m m a
Hall space group symbol	-I 2b 2
Residual factor for all reflections	0.1298
Residual factor for significantly intense reflections	0.0875
Weighted residual factors for significantly intense reflections	0.064
Weighted residual factors for all reflections included in the refinement	0.0979
Method of determination	powder diffraction
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4331626.cif
97754	2014-01-29	cif/ Adding structures of 4331626 via cif-deposit CGI script.	4331626.cif