Crystallography Open Database

Information card for entry 4514568

Preview

Coordinates	4514568.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H6 In0.5 N0.5 O2.67
Calculated formula	C11 H6 In0.5 N0.5 O2.66667
Title of publication	Enhancement of Intrinsic Proton Conductivity and Aniline Sensitivity by Introducing Dye Molecules into the MOF Channel.
Authors of publication	Liu, Lizhen; Yao, Zizhu; Ye, Yingxiang; Liu, Chulong; Lin, Quanjie; Chen, Shimin; Xiang, Shengchang; Zhang, Zhangjing
Journal of publication	ACS applied materials & interfaces
Year of publication	2019
Journal volume	11
Journal issue	18
Pages of publication	16490 - 16495
a	36.2108 ± 0.0003 Å
b	36.2108 ± 0.0003 Å
c	36.2108 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	47480.4 ± 0.7 Å³
Cell temperature	99.96 ± 0.12 K
Ambient diffraction temperature	99.96 ± 0.12 K
Number of distinct elements	5
Space group number	223
Hermann-Mauguin space group symbol	P m -3 n
Hall space group symbol	-P 4n 2 3
Residual factor for all reflections	0.1239
Residual factor for significantly intense reflections	0.0963
Weighted residual factors for significantly intense reflections	0.2531
Weighted residual factors for all reflections included in the refinement	0.2932
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
219753 (current)	2019-10-28	cif/ Adding structures of 4514568 via cif-deposit CGI script.	4514568.cif