Crystallography Open Database

Information card for entry 4109209

Preview

Coordinates	4109209.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H12 O13 Zn4
Calculated formula	C24 H12 O13 Zn4
Title of publication	The Inconsistency in Adsorption Properties and Powder XRD Data of MOF-5 Is Rationalized by Framework Interpenetration and the Presence of Organic and Inorganic Species in the Nanocavities
Authors of publication	Jasmina Hafizovic; Morten Bjørgen; Unni Olsbye; Pascal D. C. Dietzel; Silvia Bordiga; Carmelo Prestipino; Carlo Lamberti; Karl Petter Lillerud
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	3612 - 3620
a	18.406 ± 0.003 Å
b	18.406 ± 0.003 Å
c	44.75 ± 0.009 Å
α	90°
β	90°
γ	120°
Cell volume	13129 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :H
Hall space group symbol	-R 3 2"
Residual factor for all reflections	0.11
Residual factor for significantly intense reflections	0.0823
Weighted residual factors for significantly intense reflections	0.224
Weighted residual factors for all reflections included in the refinement	0.2401
Goodness-of-fit parameter for all reflections included in the refinement	1.1
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4109209.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109209.cif
57964	2012-05-23	cif/ Adding structures of 4109209 via cif-deposit CGI script.	4109209.cif