Information card for entry 7055591

Structure parameters

• Formula: C60.63 H60 N4 Ni4 O12.63
• Calculated formula: C60.63 H60 N4 Ni4 O12.63
• 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: 11.8638 ± 0.0005 Å
• b: 14.6263 ± 0.0006 Å
• c: 16.9277 ± 0.0007 Å
• α: 77.775 ± 0.004°
• β: 79.854 ± 0.003°
• γ: 79.725 ± 0.004°
• Cell volume: 2795.3 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0706
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0528
• Weighted residual factors for all reflections included in the refinement: 0.0563
• Goodness-of-fit parameter for all reflections included in the refinement: 0.793
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No