Crystallography Open Database

Information card for entry 1564297

Preview

Coordinates	1564297.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H25 Co N9 O11
Calculated formula	C14 H25 Co N9 O11
SMILES	[Co]12([n]3n(c(cc3C)C)c3nc(OC)nc(n4c(C)cc([n]24)C)[n]13)([OH2])([OH2])[OH2].O=N(=O)[O-].O=N(=O)[O-].O
Title of publication	Syntheses, structure, Hirshfeld analysis and antimicrobial activity of four new Co(II) complexes with s-triazine-based pincer ligand
Authors of publication	Soliman, Saied M.; Elsilk, Sobhy E.; El-Faham, Ayman
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	510
Pages of publication	119753
a	8.913 ± 0.007 Å
b	10.554 ± 0.009 Å
c	13.726 ± 0.011 Å
α	71.562 ± 0.016°
β	89.487 ± 0.014°
γ	82.684 ± 0.014°
Cell volume	1214.2 ± 1.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0494
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.0826
Weighted residual factors for all reflections included in the refinement	0.0886
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
267862 (current)	2021-07-31	cif/ Adding structures of 1564297 via cif-deposit CGI script.	1564297.cif