Crystallography Open Database

Information card for entry 4518492

Preview

Coordinates	4518492.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H76 Cd2 Cl8 N40 O28
Calculated formula	C60 H76 Cd2 Cl8 N40 O28
Title of publication	Pyridine Detection Using Supramolecular Organic Frameworks Incorporating Cucurbit[10]uril.
Authors of publication	Liu, Ming; Chen, Lixia; Shan, Peihui; Lian, Chengjie; Zhang, Zenghui; Zhang, Yunqian; Tao, Zhu; Xiao, Xin
Journal of publication	ACS applied materials & interfaces
Year of publication	2021
Journal volume	13
Journal issue	6
Pages of publication	7434 - 7442
a	21.436 ± 0.004 Å
b	21.436 ± 0.004 Å
c	15.419 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	7085 ± 2 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
Space group number	136
Hermann-Mauguin space group symbol	P 42/m n m
Hall space group symbol	-P 4n 2n
Residual factor for all reflections	0.249
Residual factor for significantly intense reflections	0.1488
Weighted residual factors for significantly intense reflections	0.4247
Weighted residual factors for all reflections included in the refinement	0.4773
Goodness-of-fit parameter for all reflections included in the refinement	1.416
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
262437 (current)	2021-03-04	cif/ Updating files of 4518492 Original log message: Adding full bibliography for 4518492.cif.	4518492.cif
261847	2021-02-09	cif/ Adding structures of 4518492 via cif-deposit CGI script.	4518492.cif