Crystallography Open Database

Information card for entry 1564067

Preview

Coordinates	1564067.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H65 N3 Ni O4
Calculated formula	C51 H65 N3 Ni O4
SMILES	[Ni]123(Oc4c(O1)c(ccc4C(C)(C)C)C(C)(C)C)(Oc1c(O2)c(ccc1C(C)(C)C)C(C)(C)C)[n]1ccccc1C(=Nc1c(cccc1C(C)C)C(C)C)c1[n]3cccc1
Title of publication	Nickel(II) and Cobalt(III) bis(dioxolene) complexes with di(2-pyridyl)imine ligands: Synthesis and magnetic properties
Authors of publication	Zolotukhin, Alexey A.; Korshunova, Anastasiya A.; Bubnov, Michael P.; Bogomyakov, Artem S.; Baranov, Evgeny V.; Cherkasov, Vladimir K.
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	512
Pages of publication	119869
a	24.4722 ± 0.0017 Å
b	9.5751 ± 0.0007 Å
c	21.1469 ± 0.0015 Å
α	90°
β	110.25 ± 0.002°
γ	90°
Cell volume	4648.9 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0634
Residual factor for significantly intense reflections	0.0487
Weighted residual factors for significantly intense reflections	0.0906
Weighted residual factors for all reflections included in the refinement	0.0951
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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
267398 (current)	2021-07-08	cif/ Adding structures of 1564067 via cif-deposit CGI script.	1564067.cif