Crystallography Open Database

Information card for entry 1568318

Preview

Coordinates	1568318.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H70 Fe Ge3 N4
Calculated formula	C58 H70 Fe Ge3 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	12.2039 ± 0.0002 Å
b	20.0943 ± 0.0003 Å
c	22.0081 ± 0.0004 Å
α	90°
β	98.0205 ± 0.0016°
γ	90°
Cell volume	5344.23 ± 0.15 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.1582
Residual factor for significantly intense reflections	0.075
Weighted residual factors for significantly intense reflections	0.1349
Weighted residual factors for all reflections included in the refinement	0.1567
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.4122 Å
Diffraction radiation type	synchrotron
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.	1568318.cif
280476	2023-01-21	cif/ Adding structures of 1568315, 1568316, 1568317, 1568318 via cif-deposit CGI script.	1568318.cif