Crystallography Open Database

Information card for entry 1561274

Preview

Coordinates	1561274.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H27 Cl5 In N2 O S2
Calculated formula	C12 H27 Cl5 In N2 O S2
SMILES	[In](Cl)(Cl)(Cl)(Cl)(Cl)OC=C(C)C.S1CC[NH2+]CC1.S1CC[NH2+]CC1
Title of publication	Reversible Luminescent Vapochromism of a Zero-Dimensional Sb<sup>3+</sup>-Doped Organic-Inorganic Hybrid.
Authors of publication	Wu, Yue; Shi, Cui-Mi; Xu, Liang-Jin; Yang, Ming; Chen, Zhong-Ning
Journal of publication	The journal of physical chemistry letters
Year of publication	2021
Pages of publication	3288 - 3294
a	11.7611 ± 0.0006 Å
b	12.5257 ± 0.0006 Å
c	15.0163 ± 0.0008 Å
α	90°
β	96.853 ± 0.002°
γ	90°
Cell volume	2196.34 ± 0.19 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
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	0.0206
Residual factor for significantly intense reflections	0.019
Weighted residual factors for significantly intense reflections	0.0484
Weighted residual factors for all reflections included in the refinement	0.0495
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
263602 (current)	2021-04-04	cif/ Updating files of 1561273, 1561274, 1561275, 1561276 Original log message: Adding full bibliography for 1561273--1561276.cif.	1561274.cif
263330	2021-03-26	cif/ Adding structures of 1561274 via cif-deposit CGI script.	1561274.cif