Crystallography Open Database

Information card for entry 7037910

Preview

Coordinates	7037910.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H16 N2 S2
Calculated formula	C15 H16 N2 S2
SMILES	s1c(C)c(c2nc[nH]c2c2c(sc(c2)C)C)cc1C
Title of publication	Bisthienylethene Th2im and its complex (Th2imH)2[ReCl6]: crystalline-phase photochromism, and photochemical regulation of luminescence and magnetic properties.
Authors of publication	Gong, Dan-Ping; Chen, Jun-Feng; Zhao, Yue; Cao, Deng-Ke
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	8
Pages of publication	3443 - 3449
a	9.674 ± 0.004 Å
b	12.171 ± 0.005 Å
c	13.45 ± 0.005 Å
α	98.037 ± 0.006°
β	91.768 ± 0.006°
γ	101.969 ± 0.004°
Cell volume	1531.1 ± 1.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.1378
Residual factor for significantly intense reflections	0.0647
Weighted residual factors for significantly intense reflections	0.1522
Weighted residual factors for all reflections included in the refinement	0.1802
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
177830 (current)	2016-03-05	cif/ Updating files of 7037910, 7037911 Original log message: Adding full bibliography for 7037910--7037911.cif.	7037910.cif
173714	2016-01-09	cif/ Adding structures of 7037910, 7037911 via cif-deposit CGI script.	7037910.cif