Crystallography Open Database

Information card for entry 1571219

Preview

Coordinates	1571219.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8.1 H18.2 B10 Cu N O4
Calculated formula	C8.1 H18.2 B10 Cu N O4
Title of publication	A novel hydrophobic carborane-hybrid microporous material for reversed C<sub>2</sub>H<sub>6</sub> adsorption and efficient C<sub>2</sub>H<sub>4</sub>/C<sub>2</sub>H<sub>6</sub> separation under humid conditions.
Authors of publication	Wang, Lingyao; Wu, Shuangshuang; Hu, Jianbo; Jiang, Yunjia; Li, Jiahao; Hu, Yongqi; Han, Yan; Ben, Teng; Chen, Banglin; Zhang, Yuanbin
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	15
Pages of publication	5653 - 5659
a	11.1145 ± 0.0006 Å
b	11.1145 ± 0.0006 Å
c	9.5867 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	1184.27 ± 0.13 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	6
Space group number	115
Hermann-Mauguin space group symbol	P -4 m 2
Hall space group symbol	P -4 -2
Residual factor for all reflections	0.0559
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.1143
Weighted residual factors for all reflections included in the refinement	0.1231
Goodness-of-fit parameter for all reflections included in the refinement	1.144
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
291579 (current)	2024-05-05	cif/ Updating files of 1571218, 1571219, 1571220, 1571221 Original log message: Adding full bibliography for 1571218--1571221.cif.	1571219.cif
290461	2024-03-13	cif/ Adding structures of 1571218, 1571219, 1571220, 1571221 via cif-deposit CGI script.	1571219.cif