Information card for entry 7040746

Structure parameters

• Formula: C79 H94 Cl6 N36 Ni12 O19
• Calculated formula: C79 H94 Cl6 N36 Ni12 O19
• Title of publication: In search of molecules displaying ferromagnetic exchange: multiple-decker Ni12 and Ni16 complexes from the use of pyridine-2-amidoxime.
• Authors of publication: Efthymiou, Constantinos G.; Cunha-Silva, Luís; Perlepes, Spyros P.; Brechin, Euan K.; Inglis, Ross; Evangelisti, Marco; Papatriantafyllopoulou, Constantina
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 43
• Pages of publication: 17409 - 17419
• a: 14.8718 ± 0.0008 Å
• b: 15.1738 ± 0.0007 Å
• c: 15.3809 ± 0.0008 Å
• α: 60.525 ± 0.002°
• β: 73.084 ± 0.003°
• γ: 69.854 ± 0.002°
• Cell volume: 2805.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0822
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.2006
• Weighted residual factors for all reflections included in the refinement: 0.221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No