Crystallography Open Database

Information card for entry 4349835

Preview

Coordinates	4349835.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 H69 Cd2 Cl2 N14 O10
Calculated formula	C81 H67 Cd2 Cl2 N14 O10
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	21.0221 ± 0.0005 Å
b	17.4201 ± 0.0005 Å
c	26.3666 ± 0.0007 Å
α	90°
β	111.047 ± 0.003°
γ	90°
Cell volume	9011.5 ± 0.5 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0853
Residual factor for significantly intense reflections	0.0768
Weighted residual factors for significantly intense reflections	0.2166
Weighted residual factors for all reflections included in the refinement	0.2256
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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.	4349835.cif