Crystallography Open Database

Information card for entry 7225001

Preview

Coordinates	7225001.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32.2 H39.8 Cd N10.4 O8.4
Calculated formula	C22 H16 Cd N7 O5
Title of publication	A fluorescent sensor for highly selective sensing of nitro explosives and Hg(ii) ions based on a 3D porous layer metal‒organic framework
Authors of publication	Yang, Liu; Li, Xiao; Qin, Chao; Shao, Kui-Zhan; Su, Zhong-Min
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	25
Pages of publication	4765
a	21.563 ± 0.005 Å
b	14.172 ± 0.005 Å
c	13.642 ± 0.005 Å
α	90°
β	106.815 ± 0.005°
γ	90°
Cell volume	3991 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0545
Residual factor for significantly intense reflections	0.0373
Weighted residual factors for significantly intense reflections	0.0904
Weighted residual factors for all reflections included in the refinement	0.0935
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
185210 (current)	2016-08-07	cif/ Updating files of 7225001 Original log message: Adding full bibliography for 7225001.cif.	7225001.cif
182332	2016-04-28	cif/ Adding structures of 7225001 via cif-deposit CGI script.	7225001.cif