Crystallography Open Database

Information card for entry 4349832

Preview

Coordinates	4349832.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H26 Cd N6 O4 S
Calculated formula	C39 H26 Cd N6 O4 S
Title of publication	A series of porous interpenetrating metal‒organic frameworks based on fluorescent ligands for nitroaromatic explosive detection
Authors of publication	Zeng, Xiao-Shan; Xu, Hui-Ling; Xu, Yu-Ci; Li, Xiao-Qing; Nie, Zhao-Yang; Gao, Shu-Zhen; Xiao, Dong-Rong
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2018
Journal volume	5
Journal issue	7
Pages of publication	1622
a	10.5969 ± 0.0003 Å
b	14.7104 ± 0.0004 Å
c	28.7304 ± 0.0007 Å
α	90°
β	92.431 ± 0.002°
γ	90°
Cell volume	4474.6 ± 0.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
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	0.0495
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.1153
Weighted residual factors for all reflections included in the refinement	0.1185
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
236882 (current)	2019-11-24	cif/ Adding structures of 4349832, 4349833, 4349834, 4349835 via cif-deposit CGI script.	4349832.cif