Crystallography Open Database

Information card for entry 1564101

Preview

Coordinates	1564101.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H36 Br2 Cu2 N4
Calculated formula	C28 H36 Br2 Cu2 N4
SMILES	[Br]1[Cu]2([n]3cc(C)cc(C)c3)([n]3cc(C)cc(C)c3)[Br][Cu]12([n]1cc(C)cc(C)c1)[n]1cc(C)cc(C)c1
Title of publication	Synthesis, characterization, luminescence properties of copper(I) bromide based coordination compounds
Authors of publication	Xu, Chanchan; Li, Yuzhe; Lv, Le; Lin, Fang; Lin, Feng; Zhang, Zhijuan; Luo, Chaoyun; Luo, Dawei; Liu, Wei
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	512
Pages of publication	119893
a	17.823 ± 0.011 Å
b	9.271 ± 0.006 Å
c	20.329 ± 0.013 Å
α	90°
β	114.054 ± 0.01°
γ	90°
Cell volume	3067 ± 3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 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	0.0908
Residual factor for significantly intense reflections	0.0423
Weighted residual factors for significantly intense reflections	0.0868
Weighted residual factors for all reflections included in the refinement	0.1063
Goodness-of-fit parameter for all reflections included in the refinement	0.897
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
267439 (current)	2021-07-09	cif/ Adding structures of 1564101, 1564102 via cif-deposit CGI script.	1564101.cif