Crystallography Open Database

Information card for entry 1568316

Preview

Coordinates	1568316.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H62 Fe Ge2 N4
Calculated formula	C46 H62 Fe Ge2 N4
Title of publication	Germanium hydrides as an efficient hydrogen-storage material operated by an iron catalyst.
Authors of publication	Kobayashi, Yoshinao; Sunada, Yusuke
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	5
Pages of publication	1065 - 1071
a	12.836 ± 0.004 Å
b	12.928 ± 0.004 Å
c	13.403 ± 0.004 Å
α	90°
β	104.798 ± 0.004°
γ	90°
Cell volume	2150.4 ± 1.1 Å³
Cell temperature	203 K
Ambient diffraction temperature	203 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0878
Residual factor for significantly intense reflections	0.0607
Weighted residual factors for significantly intense reflections	0.133
Weighted residual factors for all reflections included in the refinement	0.147
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
281352 (current)	2023-03-04	cif/ Updating files of 1568315, 1568316, 1568317, 1568318 Original log message: Adding full bibliography for 1568315--1568318.cif.	1568316.cif
280476	2023-01-21	cif/ Adding structures of 1568315, 1568316, 1568317, 1568318 via cif-deposit CGI script.	1568316.cif