Crystallography Open Database

Information card for entry 1568317

Preview

Coordinates	1568317.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H90 Fe Ge4 N4 O2
Calculated formula	C74 H90 Fe Ge4 N4 O2
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	14.0493 ± 0.0006 Å
b	24.0246 ± 0.0009 Å
c	19.8466 ± 0.0007 Å
α	90°
β	92.615 ± 0.004°
γ	90°
Cell volume	6691.8 ± 0.4 Å³
Cell temperature	113 K
Ambient diffraction temperature	113 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0749
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for significantly intense reflections	0.0899
Weighted residual factors for all reflections included in the refinement	0.0996
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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.	1568317.cif
280476	2023-01-21	cif/ Adding structures of 1568315, 1568316, 1568317, 1568318 via cif-deposit CGI script.	1568317.cif