Crystallography Open Database

Information card for entry 4509765

Preview

Coordinates	4509765.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H13 N O6 Zn
Calculated formula	C11 H13 N O6 Zn
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	6.723 ± 0.003 Å
b	15.481 ± 0.006 Å
c	12.435 ± 0.005 Å
α	90°
β	102.825 ± 0.005°
γ	90°
Cell volume	1261.9 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0471
Residual factor for significantly intense reflections	0.0339
Weighted residual factors for significantly intense reflections	0.0698
Weighted residual factors for all reflections included in the refinement	0.0735
Goodness-of-fit parameter for all reflections included in the refinement	0.951
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.	4509765.cif
97482	2014-01-29	cif/ Adding structures of 4509765 via cif-deposit CGI script.	4509765.cif