Crystallography Open Database

Information card for entry 7714462

Preview

Coordinates	7714462.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1-MeCN
Formula	C14 H3 F24 Ge N O4
Calculated formula	C14 H3 F24 Ge N O4
SMILES	[Ge]12(OC(C(O1)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)(OC(C(O2)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)[N]#CC
Title of publication	A neutral germanium-centred hard and soft lewis superacid and its unique reactivity towards hydrosilanes.
Authors of publication	Tschernuth, Florian S.; Kostenko, Arseni; Stigler, Sebastian; Gradenegger, Anna; Inoue, Shigeyoshi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	53
Journal issue	1
Pages of publication	74 - 81
a	23.5238 ± 0.0015 Å
b	8.6067 ± 0.0005 Å
c	21.8982 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	4433.6 ± 0.5 Å³
Cell temperature	102 K
Ambient diffraction temperature	102 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0686
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.1171
Weighted residual factors for all reflections included in the refinement	0.1315
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation probe	x-ray
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
289462 (current)	2024-02-04	cif/ Updating files of 7714462, 7714463, 7714464, 7714465, 7714466 Original log message: Adding full bibliography for 7714462--7714466.cif.	7714462.cif
287629	2023-11-16	cif/ Adding structures of 7714462, 7714463, 7714464, 7714465, 7714466 via cif-deposit CGI script.	7714462.cif