Crystallography Open Database

Information card for entry 7224548

Preview

Coordinates	7224548.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H12 N6 O4 Zn
Calculated formula	C18 H12 N6 O4 Zn
Title of publication	Two isomeric Zn(ii)-based metal‒organic frameworks constructed from a bifunctional triazolate‒carboxylate tecton exhibiting distinct gas sorption behaviors
Authors of publication	Chen, Di-Ming; Tian, Jia-Yue; Fang, Shao-Ming; Liu, Chun-Sen
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	14
Pages of publication	2579
a	14.6252 ± 0.0007 Å
b	16.5703 ± 0.0007 Å
c	10.4179 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2524.7 ± 0.2 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	5
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.0737
Residual factor for significantly intense reflections	0.0691
Weighted residual factors for significantly intense reflections	0.2073
Weighted residual factors for all reflections included in the refinement	0.2112
Goodness-of-fit parameter for all reflections included in the refinement	1.117
Diffraction radiation probe	x-ray
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
181614 (current)	2016-04-05	cif/ Updating files of 7224547, 7224548 Original log message: Adding full bibliography for 7224547--7224548.cif.	7224548.cif
178031	2016-03-09	cif/ Adding structures of 7224547, 7224548 via cif-deposit CGI script.	7224548.cif