Crystallography Open Database

Information card for entry 1568249

Preview

Coordinates	1568249.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	rac-ClMBA-SnCl
Formula	C16 H22 Cl8 N2 Sn
Calculated formula	C16 H22 Cl8 N2 Sn
SMILES	CC(c1ccc(cc1)Cl)[NH3+].Cl[Sn](Cl)([Cl-])([Cl-])(Cl)Cl.CC(c1ccc(cc1)Cl)[NH3+]
Title of publication	Linear optical afterglow and nonlinear optical harmonic generation from chiral tin(IV) halides: the role of lattice distortions.
Authors of publication	Han, Xiao; Cheng, Puxin; Shi, Rongchao; Zheng, Yongshen; Qi, Siming; Xu, Jialiang; Bu, Xian-He
Journal of publication	Materials horizons
Year of publication	2023
Journal volume	10
Journal issue	3
Pages of publication	1005 - 1011
a	14.1247 ± 0.0002 Å
b	7.1094 ± 0.0001 Å
c	12.3083 ± 0.0002 Å
α	90°
β	97.523 ± 0.001°
γ	90°
Cell volume	1225.34 ± 0.03 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0736
Residual factor for significantly intense reflections	0.0723
Weighted residual factors for significantly intense reflections	0.1945
Weighted residual factors for all reflections included in the refinement	0.1956
Goodness-of-fit parameter for all reflections included in the refinement	1.187
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
283514 (current)	2023-05-05	cif/ Updating files of 1568244, 1568245, 1568246, 1568247, 1568248, 1568249 Original log message: Adding full bibliography for 1568244--1568249.cif.	1568249.cif
280247	2023-01-07	cif/ Adding structures of 1568244, 1568245, 1568246, 1568247, 1568248, 1568249 via cif-deposit CGI script.	1568249.cif