Crystallography Open Database

Information card for entry 7241258

Preview

Coordinates	7241258.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H10 I3 S10
Calculated formula	C16 H10 I3 S10
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	11.8075 ± 0.0002 Å
b	14.6651 ± 0.0003 Å
c	16.9675 ± 0.0003 Å
α	92.604 ± 0.002°
β	106.484 ± 0.002°
γ	107.727 ± 0.002°
Cell volume	2655.43 ± 0.1 Å³
Cell temperature	150 ± 2 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	0.0523
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.0826
Weighted residual factors for all reflections included in the refinement	0.0887
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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.	7241258.cif