Crystallography Open Database

Information card for entry 7233951

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Coordinates	7233951.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H30 F6 S8 Ta
Calculated formula	C34 H30 F6 S8 Ta
Title of publication	Mixed valence radical cations and intermolecular complexes derived from indenofluorene-extended tetrathiafulvalenes
Authors of publication	Mikkel A. Christensen; Christian R. Parker; Thomas Just Sorensen; Sebastian de Graaf; Thorbjorn J. Morsing; Theis Brock-Nannestad; Jesper Bendix; Michael M. Haley; Peter Rapta; Andrey Danilov; Sergey Kubatkin; Ole Hammerich; Mogens Brondsted Nielsen
Journal of publication	Journal of Materials Chemistry C
Year of publication	2014
Journal volume	2
Pages of publication	10428 - 10438
a	9.4413 ± 0.0005 Å
b	13.8707 ± 0.0007 Å
c	15.4171 ± 0.0007 Å
α	106.242 ± 0.002°
β	98.995 ± 0.002°
γ	107.963 ± 0.002°
Cell volume	1777.67 ± 0.16 Å³
Cell temperature	122 ± 2 K
Ambient diffraction temperature	122 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0673
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.1098
Weighted residual factors for all reflections included in the refinement	0.1187
Goodness-of-fit parameter for all reflections included in the refinement	1.0349
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
218534 (current)	2019-09-19	cif/ Adding structures of 7233951 via cif-deposit CGI script.	7233951.cif