Crystallography Open Database

Information card for entry 1568315

Preview

Coordinates	1568315.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H62 Fe N4
Calculated formula	C40 H62 Fe 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	20.0556 ± 0.001 Å
b	13.4841 ± 0.0005 Å
c	16.4559 ± 0.0007 Å
α	90°
β	107.412 ± 0.005°
γ	90°
Cell volume	4246.3 ± 0.3 Å³
Cell temperature	133 K
Ambient diffraction temperature	133 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0743
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.121
Weighted residual factors for all reflections included in the refinement	0.1327
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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.	1568315.cif
280476	2023-01-21	cif/ Adding structures of 1568315, 1568316, 1568317, 1568318 via cif-deposit CGI script.	1568315.cif