Crystallography Open Database

Information card for entry 4514521

Preview

Coordinates	4514521.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H28 Br2 Cu N
Calculated formula	C12 H28 Br2 Cu N
SMILES	C(CC)[N+](CCC)(CCC)CCC.Br[Cu][Br-]
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	8.9036 ± 0.0011 Å
b	7.5883 ± 0.0014 Å
c	13.0176 ± 0.0013 Å
α	90°
β	91.001 ± 0.01°
γ	90°
Cell volume	879.4 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.1264
Residual factor for significantly intense reflections	0.0586
Weighted residual factors for significantly intense reflections	0.13
Weighted residual factors for all reflections included in the refinement	0.1694
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
219706 (current)	2019-10-28	cif/ Adding structures of 4514521 via cif-deposit CGI script.	4514521.cif