Crystallography Open Database

Information card for entry 7242842

Preview

Coordinates	7242842.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H24 N2 O15 Zn4
Calculated formula	C42 H24 N2 O15 Zn4
Title of publication	A luminescent metal‒organic framework with tetragonal nanochannels as an efficient chemosensor for nitroaromatic explosives detection
Authors of publication	Xie, Wei; Jiang, Wei; Xu, Guang-Juan; Zhang, Shu-Ran; Xu, Yan-Hong; Su, Zhong-Min
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	21
Pages of publication	3901 - 3906
a	24.677 ± 0.005 Å
b	21.78 ± 0.005 Å
c	25.025 ± 0.005 Å
α	90 ± 0.005°
β	109.5 ± 0.005°
γ	90 ± 0.005°
Cell volume	12679 ± 5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1188
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for significantly intense reflections	0.1774
Weighted residual factors for all reflections included in the refinement	0.244
Goodness-of-fit parameter for all reflections included in the refinement	0.718
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
265990 (current)	2021-06-05	cif/ Updating files of 7242842 Original log message: Adding full bibliography for 7242842.cif.	7242842.cif
265207	2021-05-14	cif/ Adding structures of 7242842 via cif-deposit CGI script.	7242842.cif