Crystallography Open Database

Information card for entry 7239725

Preview

Coordinates	7239725.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H22 Cu N4 O6
Calculated formula	C31 H22 Cu N4 O6
Title of publication	Oriented assembly of copper metal‒organic framework membranes as tandem catalysts to enhance C‒H hydroxyalkynylation reactions with regiocontrol
Authors of publication	Huang, Chao; Zhu, Kaifang; Lu, Guizhen; Zhang, Yingying; Wang, Dandan; Zhang, Dianbo; Mi, Liwei; Hou, Hongwei
Journal of publication	CrystEngComm
Year of publication	2020
Journal volume	22
Journal issue	4
Pages of publication	802 - 810
a	11.8376 ± 0.0002 Å
b	19.8062 ± 0.0004 Å
c	11.5994 ± 0.0003 Å
α	90°
β	93.465 ± 0.001°
γ	90°
Cell volume	2714.6 ± 0.1 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	0.0788
Residual factor for significantly intense reflections	0.0697
Weighted residual factors for significantly intense reflections	0.1911
Weighted residual factors for all reflections included in the refinement	0.2012
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
257454 (current)	2020-10-06	cif/ Updating files of 7239725 Original log message: Adding full bibliography for 7239725.cif.	7239725.cif
247666	2020-02-04	cif/ Updating files of 7239725 Original log message: Adding full bibliography for 7239725.cif.	7239725.cif
246520	2020-01-04	cif/ Adding structures of 7239725 via cif-deposit CGI script.	7239725.cif