Crystallography Open Database

Information card for entry 4519190

4519189 << 4519190 >> 4519191

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Coordinates	4519190.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H75 Br17 Cu12 O14 Rb6 S12
Calculated formula	C24 H74.9988 Br16.9996 Cu12 O13.9992 Rb6 S12
Title of publication	Tuning the Self-Trapped Emission: Reversible Transformation to 0D Copper Clusters Permits Bright Red Emission in Potassium and Rubidium Copper Bromides
Authors of publication	Li, Yanyan; Zhou, Zhicong; Sheong, Fu Kit; Xing, Zengshan; Lortz, Rolf; Wong, Kam Sing; Sung, Herman H. Y.; Williams, Ian D.; Halpert, Jonathan E.
Journal of publication	ACS Energy Letters
Year of publication	2021
Pages of publication	4383 - 4389
a	13.51533 ± 0.00012 Å
b	13.51533 ± 0.00012 Å
c	13.51533 ± 0.00012 Å
α	90°
β	90°
γ	90°
Cell volume	2468.77 ± 0.04 Å³
Cell temperature	173 ± 0.1 K
Ambient diffraction temperature	173 ± 0.1 K
Number of distinct elements	7
Space group number	221
Hermann-Mauguin space group symbol	P m -3 m
Hall space group symbol	-P 4 2 3
Residual factor for all reflections	0.0538
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.1648
Weighted residual factors for all reflections included in the refinement	0.1688
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
271056 (current)	2021-12-03	cif/ Adding structures of 4519190 via cif-deposit CGI script.	4519190.cif