Crystallography Open Database

Information card for entry 4509764

Preview

Coordinates	4509764.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H20 N2 O8 Zn2
Calculated formula	C21.92 H8 N2 O8 Zn2
Title of publication	Reversible Two-Dimensional−Three Dimensional Framework Transformation within a Prototype Metal−Organic Framework
Authors of publication	Chen, Zhenxia; Xiang, Shengchang; Zhao, Dongyuan; Chen, Banglin
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	12
Pages of publication	5293
a	10.983 ± 0.005 Å
b	10.983 ± 0.005 Å
c	9.702 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	1170.3 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	123
Hermann-Mauguin space group symbol	P 4/m m m
Hall space group symbol	-P 4 2
Residual factor for all reflections	0.0672
Residual factor for significantly intense reflections	0.0628
Weighted residual factors for significantly intense reflections	0.2266
Weighted residual factors for all reflections included in the refinement	0.2306
Goodness-of-fit parameter for all reflections included in the refinement	0.957
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
179633 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/97.	4509764.cif
97481	2014-01-29	cif/ Adding structures of 4509764 via cif-deposit CGI script.	4509764.cif