Crystallography Open Database

Information card for entry 7112763

Preview

Coordinates	7112763.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H12 N0 O16 Zn4
Calculated formula	C18 H8 O16 Zn4
Title of publication	A rod packing microporous metal-organic framework with open metal sites for selective guest sorption and sensing of nitrobenzene.
Authors of publication	Zhang, Zhangjing; Xiang, Shengchang; Rao, Xingtang; Zheng, Qian; Fronczek, Frank R.; Qian, Guodong; Chen, Banglin
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	38
Pages of publication	7205 - 7207
a	10.918 ± 0.0006 Å
b	17.1253 ± 0.0014 Å
c	17.2092 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	3217.7 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.022
Residual factor for significantly intense reflections	0.0208
Weighted residual factors for significantly intense reflections	0.054
Weighted residual factors for all reflections included in the refinement	0.0547
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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
180241 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/27.	7112763.cif
112078	2014-04-29	cif/ Adding structures of 7112763 via cif-deposit CGI script.	7112763.cif