Crystallography Open Database

Information card for entry 4111421

Preview

Coordinates	4111421.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H6 O4 Zn
Calculated formula	C7 H6 O4 Zn
Title of publication	Rod Packings and Metal-Organic Frameworks Constructed from Rod-Shaped Secondary Building Units
Authors of publication	Nathaniel L. Rosi; Jaheon Kim; Mohamed Eddaoudi; Banglin Chen; Michael O'Keeffe; Omar M. Yaghi
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	1504 - 1518
a	7.261 ± 0.004 Å
b	7.261 ± 0.004 Å
c	25.471 ± 0.019 Å
α	90°
β	90°
γ	90°
Cell volume	1342.9 ± 1.4 Å³
Cell temperature	158 ± 2 K
Ambient diffraction temperature	158 ± 2 K
Number of distinct elements	4
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.081
Residual factor for significantly intense reflections	0.0586
Weighted residual factors for significantly intense reflections	0.1553
Weighted residual factors for all reflections included in the refinement	0.1687
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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
178885 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/14.	4111421.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111421.cif
63020	2012-07-13	cif/ Adding structures of 4111421 via cif-deposit CGI script.	4111421.cif