Crystallography Open Database

Information card for entry 4103387

Preview

Coordinates	4103387.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12.6 N0.6 O3 V
Calculated formula	C12.678 N0.618 O3 V
Title of publication	Separation of Styrene and Ethylbenzene on Metal-Organic Frameworks: Analogous Structures with Different Adsorption Mechanisms
Authors of publication	Michael Maes; Frederik Vermoortele; Luc Alaerts; Sarah Couck; Christine E. A. Kirschhock; Joeri F. M. Denayer; Dirk E. De Vos
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	15277 - 15285
a	6.8285 ± 0.0007 Å
b	14.5274 ± 0.0018 Å
c	14.0135 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	1390.1 ± 0.3 Å³
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
RFsqd	0.0537
Goodness-of-fit parameter for all reflections	0.97
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.5405 Å
Diffraction radiation type	Kα~1~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4103387.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103387.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103387.cif
26368	2011-09-21	../uploads/cif-deposit/cod/cif Adding structures of 4103387 via cif-deposit CGI script.	4103387.cif