Crystallography Open Database

Information card for entry 1568244

Preview

Coordinates	1568244.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	S- ClMBA-Sn-Cl
Formula	C16 H22 Cl8 N2 Sn
Calculated formula	C16 H22 Cl8 N2 Sn
SMILES	[Sn](Cl)([Cl-])([Cl-])(Cl)(Cl)Cl.Clc1ccc([C@@H]([NH3+])C)cc1.Clc1ccc(cc1)[C@@H]([NH3+])C
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	12.2556 ± 0.0002 Å
b	7.1074 ± 0.0001 Å
c	14.0867 ± 0.0003 Å
α	90°
β	98.156 ± 0.002°
γ	90°
Cell volume	1214.62 ± 0.04 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0166
Residual factor for significantly intense reflections	0.016
Weighted residual factors for significantly intense reflections	0.0362
Weighted residual factors for all reflections included in the refinement	0.0364
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation probe	x-ray
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
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.	1568244.cif
280247	2023-01-07	cif/ Adding structures of 1568244, 1568245, 1568246, 1568247, 1568248, 1568249 via cif-deposit CGI script.	1568244.cif