Crystallography Open Database

Information card for entry 1564468

Preview

Coordinates	1564468.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H16 Cu N4 O9
Calculated formula	C17 H16 Cu N4 O9
SMILES	c12ccc(cc1C=[N]1[Cu]3([N](=Cc4cc(ccc4O3)N(=O)=O)OCCO1)O2)N(=O)=O.CO
Title of publication	Two novel copper(II) salamo-based complexes: Syntheses, X-ray crystal structures, spectroscopic properties and Hirshfeld surfaces analyses
Authors of publication	Yu, Meng; Zhang, Yu; Pan, Ying-Qi; Wang, Li
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	509
Pages of publication	119701
a	13.5463 ± 0.0011 Å
b	24.841 ± 0.002 Å
c	11.6264 ± 0.0009 Å
α	90°
β	107.709 ± 0.002°
γ	90°
Cell volume	3726.9 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1063
Residual factor for significantly intense reflections	0.0682
Weighted residual factors for significantly intense reflections	0.1242
Weighted residual factors for all reflections included in the refinement	0.1401
Goodness-of-fit parameter for all reflections included in the refinement	1.119
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
275434 (current)	2022-05-16	cif/1 Fixing some Z values and formulae	1564468.cif
268312	2021-08-31	cif/ Adding structures of 1564467, 1564468 via cif-deposit CGI script.	1564468.cif