Crystallography Open Database

Information card for entry 1558867

Preview

Coordinates	1558867.cif

Structure parameters

Formula	Cl6 Cs5 Cu3 I2
Calculated formula	Cl6 Cs5 Cu3 I2
SMILES	[Cs+].[Cs+].[Cs+].[Cs+].[Cs+].[Cs+].[Cs+].[Cs+].[Cs+].[Cs+].[I]1[Cu](Cl)(Cl)[I]([Cu]1(Cl)Cl)[Cu](Cl)(Cl)[I]1[Cu](Cl)(Cl)[I]([Cu]1(Cl)Cl)[Cu](Cl)Cl
Title of publication	A Highly Efficient and Stable Blue-Emitting Cs5Cu3Cl6I2 with a 1D Chain Structure
Authors of publication	Jiangwei Li, Takeshi Inoshita, Tianping Ying, Atsushi Ooishi, Junghwan Kim, Hideo Hosono
Journal of publication	Advanced Materials
Year of publication	2020
Pages of publication	2002945
a	16.896 ± 0.003 Å
b	9.1399 ± 0.0018 Å
c	14.033 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2167.1 ± 0.7 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 K
Number of distinct elements	4
Space group number	63
Hermann-Mauguin space group symbol	C m c m
Hall space group symbol	-C 2c 2
Residual factor for all reflections	0.0289
Residual factor for significantly intense reflections	0.0278
Weighted residual factors for significantly intense reflections	0.0656
Weighted residual factors for all reflections included in the refinement	0.0662
Goodness-of-fit parameter for all reflections included in the refinement	1.245
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
255446 (current)	2020-08-19	cif/ Adding structures of 1558867 via cif-deposit CGI script.	1558867.cif