Crystallography Open Database

Information card for entry 1542316

Preview

Coordinates	1542316.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	germanate
Chemical name	PKU-15
Formula	C12 H32 Ge13.75 N2 O31 Si1.25
Calculated formula	C12 H30 Ge14.269 N2 O31 Si0.731
Title of publication	A multi-dimensional quasi-zeolite with 12 ×10 ×7-ring channels demonstrates high thermal stability and good gas adsorption selectivity
Authors of publication	Liang, Jie; Xia, Wei; Sun, Junliang; Su, Jie; Dou, Maofeng; Zou, Ruqiang; Liao, Fuhui; Wang, Yingxia; Lin, Jianhua
Journal of publication	Chem. Sci.
Year of publication	2016
Journal volume	7
Journal issue	5
Pages of publication	3025
a	16.8108 ± 0.0005 Å
b	19.7138 ± 0.0007 Å
c	23.9394 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	7933.6 ± 0.5 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0741
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.1222
Weighted residual factors for all reflections included in the refinement	0.1346
Goodness-of-fit parameter for all reflections included in the refinement	1.098
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
182629 (current)	2016-05-06	cif/ Updating files of 1542316 Original log message: Adding full bibliography for 1542316.cif.	1542316.cif
175049	2016-01-26	cif/ Adding structures of 1542316 via cif-deposit CGI script.	1542316.cif