Crystallography Open Database

Information card for entry 4325982

Preview

Coordinates	4325982.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16.25 H8 O5 V
Calculated formula	C16.32 H8 O5 V
Title of publication	Metal-Organic Frameworks of Vanadium as Catalysts for Conversion of Methane to Acetic Acid
Authors of publication	Anh Phan; Alexander U. Czaja; Felipe Gándara; Carolyn B. Knobler; Omar M. Yaghi
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	7388 - 7390
a	6.7507 ± 0.001 Å
b	16.9798 ± 0.0013 Å
c	12.9232 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	1481.3 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0964
Residual factor for significantly intense reflections	0.0774
Weighted residual factors for significantly intense reflections	0.1833
Weighted residual factors for all reflections included in the refinement	0.1956
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179362 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/59.	4325982.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325982.cif
47018	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4325982 via cif-deposit CGI script.	4325982.cif