Crystallography Open Database

Information card for entry 1570520

Preview

Coordinates	1570520.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H28 Cl6 In N3 O
Calculated formula	C10 H28 Cl6 In N3 O
SMILES	[In](Cl)(Cl)(Cl)(Cl)(Cl)[Cl-].O.N(C)(C)CCC[NH2+]CCCN(C)C
Title of publication	A 0D hybrid lead-free halide with near-unity photoluminescence quantum yield toward multifunctional optoelectronic applications.
Authors of publication	Li, Dong-Yang; Kang, Huai-Yuan; Liu, Yu-Hang; Zhang, Jie; Yue, Cheng-Yang; Yan, Dongpeng; Lei, Xiao-Wu
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	3
Pages of publication	953 - 963
a	9.3561 ± 0.0001 Å
b	12.3477 ± 0.0002 Å
c	18.1889 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2101.3 ± 0.05 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0276
Residual factor for significantly intense reflections	0.0237
Weighted residual factors for significantly intense reflections	0.0543
Weighted residual factors for all reflections included in the refinement	0.0558
Goodness-of-fit parameter for all reflections included in the refinement	1.0168
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
289428 (current)	2024-02-04	cif/ Updating files of 1570520 Original log message: Adding full bibliography for 1570520.cif.	1570520.cif
288101	2023-12-07	cif/ Adding structures of 1570520 via cif-deposit CGI script.	1570520.cif