Information card for entry 4307139

Structure parameters

• Formula: C22 H48 N2 Ni O10
• Calculated formula: C22 H48 N2 Ni O10
• SMILES: C1C[OH][Ni]234([N]1(CC[OH]2)CCO)[N](CC[OH]3)(CC[OH]4)CCO.C(=O)(C(C)(C)C)[O-].C(=O)(C(C)(C)C)[O-]
• Title of publication: Odd-Numbered FeIII Complexes: Synthesis, Molecular Structure, Reactivity, and Magnetic Properties
• Authors of publication: Ayuk M. Ako; Oliver Waldmann; Valeriu Mereacre; Frederik Klöwer; Ian J. Hewitt; Christopher E. Anson; Hans U. Güdel; Annie K. Powell
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 756 - 766
• a: 12.996 ± 0.0014 Å
• b: 6.9495 ± 0.0007 Å
• c: 16.16 ± 0.0017 Å
• α: 90°
• β: 102.368 ± 0.002°
• γ: 90°
• Cell volume: 1425.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No