Crystallography Open Database

Information card for entry 7230988

Preview

Coordinates	7230988.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H13 N3 O8.18 Zn
Calculated formula	C23 H13 N3 O8.168 Zn
Title of publication	A two-fold interpenetrated zinc‒organic framework: luminescence detection of CrO42−/Cr2O72− and chemical conversion of CO2
Authors of publication	Shi, Ying; Song, Tian-Qun; Cao, Chun-Shuai; Zhao, Bin
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	39
Pages of publication	6040
a	10.1188 ± 0.0007 Å
b	10.942 ± 0.0011 Å
c	11.7024 ± 0.001 Å
α	63.853 ± 0.009°
β	82.358 ± 0.006°
γ	72.588 ± 0.007°
Cell volume	1109.8 ± 0.19 Å³
Cell temperature	120 ± 0.1 K
Ambient diffraction temperature	120 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0761
Residual factor for significantly intense reflections	0.0544
Weighted residual factors for significantly intense reflections	0.1313
Weighted residual factors for all reflections included in the refinement	0.1459
Goodness-of-fit parameter for all reflections included in the refinement	0.941
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
228979 (current)	2019-11-17	cif/ Updating files of 7230988 Original log message: Adding full bibliography for 7230988.cif.	7230988.cif
208597	2018-06-22	cif/ Adding structures of 7230988 via cif-deposit CGI script.	7230988.cif