Crystallography Open Database

Information card for entry 4109207

Preview

Coordinates	4109207.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	18.452 ± 0.006 Å
b	18.452 ± 0.006 Å
c	44.933 ± 0.006 Å
α	90 ± 0.011°
β	90 ± 0.011°
γ	120 ± 0.011°
Cell volume	13249 ± 7 Å³
Cell temperature	573 ± 2 K
Ambient diffraction temperature	573 ± 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	0.0685
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.0898
Weighted residual factors for all reflections included in the refinement	0.1201
Goodness-of-fit parameter for all reflections included in the refinement	1.163
Diffraction radiation wavelength	0.38745 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178838 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/92.	4109207.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109207.cif
57962	2012-05-23	cif/ Adding structures of 4109207 via cif-deposit CGI script.	4109207.cif