Crystallography Open Database

Information card for entry 7056268

Preview

Coordinates	7056268.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C120 H60 Cl4 N2
Calculated formula	C120 H60 Cl3.9994 N2
Title of publication	Fullerene C60 dianion salt, (Me4N+)2(C602−)·(TPC)2·2C6H4Cl2, where TPC is triptycene, obtained by a multicomponent approach
Authors of publication	Konarev, Dmitri V.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.
Journal of publication	New J. Chem.
Year of publication	2017
Journal volume	41
Journal issue	12
Pages of publication	4779 - 4782
a	24.182 ± 0.002 Å
b	17.718 ± 0.001 Å
c	17.929 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	7681.8 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.1939
Residual factor for significantly intense reflections	0.1289
Weighted residual factors for significantly intense reflections	0.3256
Weighted residual factors for all reflections included in the refinement	0.36
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	0.895 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301442 (current)	2025-08-04	Updating journal pages, volumes and years from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis)	7056268.cif
197064	2017-05-31	cif/ Adding structures of 7056268 via cif-deposit CGI script.	7056268.cif