Crystallography Open Database

Information card for entry 1514835

Preview

Coordinates	1514835.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H10 N2 O2 Zn
Calculated formula	C12 H10 N2 O2 Zn
Title of publication	A porous coordination framework for highly sensitive and selective solid-phase microextraction of non-polar volatile organic compounds
Authors of publication	He, Chun-Ting; Tian, Jing-Yu; Liu, Si-Yang; Ouyang, Gangfeng; Zhang, Jie-Peng; Chen, Xiao-Ming
Journal of publication	Chemical Science
Year of publication	2013
Journal volume	4
Journal issue	1
Pages of publication	351
a	13.9249 ± 0.0012 Å
b	23.653 ± 0.002 Å
c	23.637 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	7785.2 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	73
Hermann-Mauguin space group symbol	I b c a
Hall space group symbol	-I 2b 2c
Residual factor for all reflections	0.0675
Residual factor for significantly intense reflections	0.0538
Weighted residual factors for significantly intense reflections	0.1381
Weighted residual factors for all reflections included in the refinement	0.1505
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1514835.cif
110280	2014-04-18	cif/ Adding structures of 1514834, 1514835 via cif-deposit CGI script.	1514835.cif