Crystallography Open Database

Information card for entry 1561273

Preview

Coordinates	1561273.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H40 Cl7 In N4 O0 S4
Calculated formula	C16 H40 Cl7 In N4 S4
SMILES	C1C[NH2+]CCS1.C1CSCC[NH2+]1.Cl[In]([Cl-])([Cl-])(Cl)(Cl)[Cl-].[Cl-].C1C[NH2+]CCS1.C1CSCC[NH2+]1
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	20.9774 ± 0.0011 Å
b	10.1284 ± 0.0005 Å
c	14.5479 ± 0.0007 Å
α	90°
β	99.752 ± 0.002°
γ	90°
Cell volume	3046.3 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0146
Residual factor for significantly intense reflections	0.0141
Weighted residual factors for significantly intense reflections	0.0338
Weighted residual factors for all reflections included in the refinement	0.0341
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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.	1561273.cif
263329	2021-03-26	cif/ Adding structures of 1561273 via cif-deposit CGI script.	1561273.cif