Information card for entry 7055590

Structure parameters

• Formula: C60 H60 N4 Ni4 O12
• Calculated formula: C60 H60 N4 Ni4 O12
• SMILES: [Ni]1234([N](=Cc5c(O1)cccc5)c1c([O]52[Ni]267([N](=Cc8c(O2)cccc8)c2c([O]46[Ni]468(Oc9c(cccc9)C=[N]6c6c([O]34[Ni]345([N](=Cc5c(O3)cccc5)c3c([O]784)ccc(c3)C)[OH]C)ccc(c6)C)[OH]C)ccc(c2)C)[OH]C)ccc(c1)C)[OH]C
• Title of publication: Correlation between structural, physical and chemical properties of three new tetranuclear NiIIclusters
• Authors of publication: Cindrić, Marina; Pavlović, Gordana; Pajić, Damir; Zadro, Krešo; Cinčić, Dominik; Hrenar, Tomica; Lekšić, Edislav; Belen Pinar Prieto, Ana; Lazić, Predrag; Šišak Jung, Dubravka
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 8
• Pages of publication: 6604
• a: 11.9649 ± 0.0004 Å
• b: 14.7344 ± 0.0005 Å
• c: 16.9441 ± 0.0006 Å
• α: 78.05 ± 0.003°
• β: 80.183 ± 0.003°
• γ: 79.885 ± 0.003°
• Cell volume: 2848.97 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1137
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.1568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No