Information card for entry 1564067

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 ų
• 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 Fobs: No