Crystallography Open Database

Information card for entry 4002714

Preview

Coordinates	4002714.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H30 Cu2 N12 O6
Calculated formula	C26 H30 Cu2 N12 O6
Title of publication	Highly Anisotropic and Water Molecule-Dependent Proton Conductivity in a 2D Homochiral Copper(II) Metal‒Organic Framework
Authors of publication	Li, Rong; Wang, Shuai-Hua; Chen, Xu-Xing; Lu, Jian; Fu, Zhi-Hua; Li, Yan; Xu, Gang; Zheng, Fa-Kun; Guo, Guo-Cong
Journal of publication	Chemistry of Materials
Year of publication	2017
Journal volume	29
Journal issue	5
Pages of publication	2321
a	18.7672 ± 0.001 Å
b	7.6504 ± 0.0004 Å
c	10.1885 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1462.83 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0608
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.0822
Weighted residual factors for all reflections included in the refinement	0.0941
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
194777 (current)	2017-04-04	cif/ Updating files of 4002713, 4002714 Original log message: Adding full bibliography for 4002713--4002714.cif.	4002714.cif
192458	2017-02-23	cif/ Adding structures of 4002713, 4002714 via cif-deposit CGI script.	4002714.cif