Crystallography Open Database

Information card for entry 7241256

Preview

Coordinates	7241256.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H14 I6 S12
Calculated formula	C24 H14 I6 S12
Title of publication	Synthesis and Structures of Polyiodide Radical Cation Salts of Donors Combining Tetrathiafulvalene with Multiple Thiophene or Oligo-thiophene Substituents.
Authors of publication	Short, Jonni; Blundell, Toby J.; Yang, Songjie; Sahin, Onur; Shakespeare, Yiana; Smith, Emma Louise; Martin, Lee; Wallis, John D.
Journal of publication	CrystEngComm
Year of publication	2020
a	10.2097 ± 0.0006 Å
b	10.9057 ± 0.0006 Å
c	17.3954 ± 0.0012 Å
α	90.663 ± 0.005°
β	102.294 ± 0.006°
γ	93.878 ± 0.005°
Cell volume	1887.5 ± 0.2 Å³
Cell temperature	150.01 ± 0.1 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0828
Residual factor for significantly intense reflections	0.062
Weighted residual factors for significantly intense reflections	0.0948
Weighted residual factors for all reflections included in the refinement	0.1011
Goodness-of-fit parameter for all reflections included in the refinement	1.177
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
256486 (current)	2020-09-17	cif/ Adding structures of 7241254, 7241255, 7241256, 7241257, 7241258, 7241259 via cif-deposit CGI script.	7241256.cif