Information card for entry 1559973

Structure parameters

• Formula: C29 H40 Cl2 N2 Ni O4
• Calculated formula: C29 H40 Cl2 N2 Ni O4
• SMILES: [Ni]123Oc4c(OCCCCCC)cccc4C=[N]3CC[N]2=Cc2c(c(OCCCCCC)ccc2)O1.ClCCl
• Title of publication: 6,6′-{[Ethane-1,2-diylbis(azaneylylidene)]bis(methaneylylidene)}bis[2-(hexyloxy)phenolato] Nickel(II)
• Authors of publication: Lukyanov, Daniil A.; Borisova, Anna S.; Levin, Oleg V.
• Journal of publication: Molbank
• Year of publication: 2020
• Journal volume: 2020
• Journal issue: 4
• Pages of publication: M1174
• a: 7.6002 ± 0.0003 Å
• b: 13.6714 ± 0.0005 Å
• c: 14.7436 ± 0.0005 Å
• α: 97.065 ± 0.003°
• β: 101.868 ± 0.003°
• γ: 93.363 ± 0.003°
• Cell volume: 1482.24 ± 0.1 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No