Crystallography Open Database

Information card for entry 1566009

Preview

Coordinates	1566009.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H13 Br Cu N4 O5
Calculated formula	C15 H13 Br Cu N4 O5
SMILES	Br[Cu]123[n]4ccccc4C=[N]1OCCO[N]2=Cc1c(ccc(c1)N(=O)=O)O3
Title of publication	Studying anion-dependent paradoxically fluorescent Cu(II) complexes bearing a pyridine-decorated tetradentate half-salamo-like ligand
Authors of publication	Han, Xiu-Juan; Li, Ruo-Yu; Yue, Yong-Ning; Zhang, Yang; Dong, Wen-Kui
Journal of publication	Inorganica Chimica Acta
Year of publication	2022
Journal volume	529
Pages of publication	120634
a	10.1814 ± 0.0003 Å
b	11.8905 ± 0.0003 Å
c	13.7196 ± 0.0003 Å
α	90°
β	93.703 ± 0.002°
γ	90°
Cell volume	1657.45 ± 0.07 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0483
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.0717
Weighted residual factors for all reflections included in the refinement	0.0778
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
272096 (current)	2022-01-18	cif/ Adding structures of 1566008, 1566009, 1566010 via cif-deposit CGI script.	1566009.cif