Information card for entry 7055589

Structure parameters

• Formula: C60.32 H60 N4 Ni4 O12.64
• Calculated formula: C60.32 H60 N4 Ni4 O12.64
• 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: 11.7984 ± 0.0003 Å
• b: 14.6129 ± 0.0004 Å
• c: 16.862 ± 0.0005 Å
• α: 77.752 ± 0.002°
• β: 79.495 ± 0.002°
• γ: 79.732 ± 0.002°
• Cell volume: 2763.74 ± 0.13 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: 0.0586
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No