Crystallography Open Database

Information card for entry 7232780

Preview

Coordinates	7232780.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H19 N12 O4 Zn2
Calculated formula	C21 H17 N12 O4 Zn2
Title of publication	A zinc(ii) metal‒organic framework with high affinity for CO2 based on triazole and tetrazolyl benzene carboxylic acid
Authors of publication	Sheng, Donghai; Zhang, Ying; Han, Yang; Xu, Guang; Song, Qingxiang; Hu, Yanping; Liu, Xiangyun; Shan, Dongming; Cheng, Achao
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	24
Pages of publication	3679
a	19.885 ± 0.006 Å
b	21.893 ± 0.006 Å
c	14.279 ± 0.004 Å
α	90°
β	126.457 ± 0.003°
γ	90°
Cell volume	5000 ± 2 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.068
Residual factor for significantly intense reflections	0.0548
Weighted residual factors for significantly intense reflections	0.2038
Weighted residual factors for all reflections included in the refinement	0.2144
Goodness-of-fit parameter for all reflections included in the refinement	1.226
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
223477 (current)	2019-11-07	cif/ Updating files of 7232780 Original log message: Adding full bibliography for 7232780.cif.	7232780.cif
215158	2019-05-15	cif/ Adding structures of 7232780 via cif-deposit CGI script.	7232780.cif