Crystallography Open Database

Information card for entry 4514520

Preview

Coordinates	4514520.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H60 Br6 Cu4 N2
Calculated formula	C26 H60 Br6 Cu4 N2
SMILES	[Br]1[Cu]2345[Br][Cu]6785[Br][Cu]5137[Br][Cu]485([Br]2)[Br]6.[N+](C)(CCCC)(CCCC)CCCC.[N+](C)(CCCC)(CCCC)CCCC
Title of publication	Family of Highly Luminescent Pure Ionic Copper(I) Bromide Based Hybrid Materials.
Authors of publication	Chen, Shuqin; Gao, Jianmei; Chang, Junyu; Li, Yanqi; Huangfu, Changxin; Meng, Hu; Wang, Yu; Xia, Guangjie; Feng, Liang
Journal of publication	ACS applied materials & interfaces
Year of publication	2019
Journal volume	11
Journal issue	19
Pages of publication	17513 - 17520
a	10.0193 ± 0.0011 Å
b	11.1991 ± 0.0012 Å
c	19.364 ± 0.002 Å
α	73.838 ± 0.01°
β	84.077 ± 0.009°
γ	88.098 ± 0.009°
Cell volume	2075.7 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1911
Residual factor for significantly intense reflections	0.0654
Weighted residual factors for significantly intense reflections	0.1312
Weighted residual factors for all reflections included in the refinement	0.1864
Goodness-of-fit parameter for all reflections included in the refinement	0.936
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
219705 (current)	2019-10-28	cif/ Adding structures of 4514520 via cif-deposit CGI script.	4514520.cif