Information card for entry 7027892

Structure parameters

• Formula: C11 H17 N3 Ni O2
• Calculated formula: C11 H17 N3 Ni O2
• SMILES: [Ni]123OC(=CC(=[N]1CC[N]2=C(C(=N3=O)C)C)C)C
• Title of publication: Bridging ability of a novel polydentate ligand (H2L) comprising an oxime function. Structures of a mononuclear precursor [NiL] and a dinuclear CuII2 complex. Magnetic properties of mononuclear (NiII and CuII), dinuclear (CuII2, NiII2, NiIICuII and CuIICrIII) and trinuclear (CuII3, CuIIMnIICuII and CuIIZnIICuII) complexes ‡
• Authors of publication: Costes, Jean-Pierre; Dahan, Françoise; Dupuis, Arnaud; Laurent, Jean-Pierre
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 8
• Pages of publication: 1307
• a: 7.2468 ± 0.0011 Å
• b: 11.2244 ± 0.0012 Å
• c: 14.6956 ± 0.0013 Å
• α: 90°
• β: 96.63 ± 0.02°
• γ: 90°
• Cell volume: 1187.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0473
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for all reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.0441
• Goodness-of-fit parameter for all reflections: 0.888
• Goodness-of-fit parameter for significantly intense reflections: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No