Crystallography Open Database

Information card for entry 4514518

Preview

Coordinates	4514518.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H36 Br5 Cu2 N3
Calculated formula	C12 H36 Br5 Cu2 N3
SMILES	C[N+](C)(C)C.C[N+](C)(C)C.[Br]1[Cu](Br)(Br)[Cu]1(Br)Br.C[N+](C)(C)C
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	14.2576 ± 0.0013 Å
b	11.3297 ± 0.001 Å
c	15.2584 ± 0.0014 Å
α	90°
β	94.826 ± 0.009°
γ	90°
Cell volume	2456 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	298.15 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.109
Residual factor for significantly intense reflections	0.0639
Weighted residual factors for significantly intense reflections	0.1274
Weighted residual factors for all reflections included in the refinement	0.1583
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
219703 (current)	2019-10-28	cif/ Adding structures of 4514518 via cif-deposit CGI script.	4514518.cif