Crystallography Open Database

Information card for entry 7233947

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Coordinates	7233947.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2-{11-[4,5-bis(butylsulfanyl)-1,3-dithiolan-2- ylidene]-5H,11H-indeno[1,2-b]fluoren-5-ylidene}- 4,5-bis(butylsulfanyl)-1,3-dithiolane
Formula	C42 H46 S8
Calculated formula	C42 H46 S8
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	8.403 ± 0.0006 Å
b	9.035 ± 0.0011 Å
c	14.003 ± 0.0013 Å
α	103.453 ± 0.009°
β	106.211 ± 0.012°
γ	94.229 ± 0.01°
Cell volume	981.83 ± 0.19 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0404
Residual factor for significantly intense reflections	0.03
Weighted residual factors for significantly intense reflections	0.0749
Weighted residual factors for all reflections included in the refinement	0.0819
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
218530 (current)	2019-09-19	cif/ Adding structures of 7233947 via cif-deposit CGI script.	7233947.cif