Crystallography Open Database

Information card for entry 7249542

Preview

Coordinates	7249542.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H9 N S
Calculated formula	C12 H9 N S
Title of publication	Structural properties and lattice phonons evolution in phenothiazine/iminostilbene solid solutions
Authors of publication	Giunchi, Andrea; Pandolfi, Lorenzo; Della Valle, Raffaele G.; Salzillo, Tommaso; Venuti, Elisabetta; Demitri, Nicola; Riegler, Hans; Petschacher, Christina; Liu, Jie; Werzer, Oliver
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	46
Pages of publication	6573 - 6584
a	5.825 ± 0.001 Å
b	7.79 ± 0.002 Å
c	20.775 ± 0.004 Å
α	90°
β	95.03 ± 0.03°
γ	90°
Cell volume	939.1 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0555
Weighted residual factors for significantly intense reflections	0.1724
Weighted residual factors for all reflections included in the refinement	0.1758
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.7 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
296475 (current)	2024-12-06	cif/ Updating files of 7249540, 7249541, 7249542, 7249543, 7249544, 7249545 Original log message: Adding full bibliography for 7249540--7249545.cif.	7249542.cif
295784	2024-11-06	cif/ Adding structures of 7249540, 7249541, 7249542, 7249543, 7249544, 7249545 via cif-deposit CGI script.	7249542.cif