Crystallography Open Database

Information card for entry 1569774

Preview

Coordinates	1569774.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H10 N2 S7
Calculated formula	C17 H10 N2 S7
Title of publication	Optoelectronic conversion and polarization hysteresis in organic MISM and MISIM devices with DA-type single-component molecules.
Authors of publication	Tomimatsu, Akihiro; Suizu, Rie; Nakazawa, Miyabi; Shirahata, Takashi; Misaki, Yohji; Kinoshita, Naoya; Awaga, Kunio
Journal of publication	Faraday discussions
Year of publication	2024
Journal volume	250
Journal issue	0
Pages of publication	96 - 109
a	6.504 ± 0.0002 Å
b	23.3098 ± 0.0008 Å
c	11.7604 ± 0.0004 Å
α	90°
β	93.774 ± 0.003°
γ	90°
Cell volume	1779.09 ± 0.1 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0593
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.0697
Weighted residual factors for all reflections included in the refinement	0.0757
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
290996 (current)	2024-04-05	cif/ Updating files of 1569774 Original log message: Adding full bibliography for 1569774.cif.	1569774.cif
285999	2023-09-05	cif/ Adding structures of 1569774 via cif-deposit CGI script.	1569774.cif