Crystallography Open Database

Information card for entry 7209989

7209988 << 7209989 >> 7209990

Preview

Coordinates	7209989.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H13 N7 O8 Zn2
Calculated formula	C19 H13 N7 O8 Zn2
Title of publication	The 3D porous metal‒organic frameworks based on bis(pyrazinyl)‒trizole: structures, photoluminescence and gas adsorption properties
Authors of publication	Pan, Jie; Jiang, Fei-Long; Yuan, Da-Qiang; Shan, Xiao-Chen; Wu, Ming-Yan; Zhou, Kang; Gai, Yan-Li; Li, Xing-Jun; Hong, Mao-Chun
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	28
Pages of publication	5673
a	10.814 ± 0.0013 Å
b	10.814 ± 0.0013 Å
c	25.41 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2971.5 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.0325
Residual factor for significantly intense reflections	0.0319
Weighted residual factors for significantly intense reflections	0.0873
Weighted residual factors for all reflections included in the refinement	0.0879
Goodness-of-fit parameter for all reflections included in the refinement	1.096
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
180430 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/99.	7209989.cif
86893	2013-07-12	cif/ Adding structures of 7209989, 7209990 via cif-deposit CGI script.	7209989.cif