Crystallography Open Database

Information card for entry 7242745

Preview

Coordinates	7242745.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H18 N2 O6 Zn
Calculated formula	C21 H18 N2 O6 Zn
Title of publication	A study of GUPT-2, a water-stable zinc-based metal‒organic framework as a highly selective and sensitive fluorescent sensor in the detection of Al3+ and Fe3+ ions
Authors of publication	Wang, San-Tai; Zheng, Xiao; Zhang, Shu-Hua; Li, Guangzhao; Xiao, Yu
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	22
Pages of publication	4059 - 4068
a	12.1026 ± 0.0004 Å
b	16.5399 ± 0.0008 Å
c	19.7752 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	3958.5 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1049
Residual factor for significantly intense reflections	0.0656
Weighted residual factors for significantly intense reflections	0.158
Weighted residual factors for all reflections included in the refinement	0.186
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
267119 (current)	2021-07-05	cif/ Updating files of 7242745 Original log message: Adding full bibliography for 7242745.cif.	7242745.cif
264846	2021-05-05	cif/ Adding structures of 7242745 via cif-deposit CGI script.	7242745.cif