Information card for entry 7027893

Structure parameters

• Formula: C22 H32 Cl Cu2 N5 O7
• Calculated formula: C22 H32 Cl Cu2 N5 O7
• SMILES: [Cu]123[O]4[Cu]56([N](=C(c7c(O5)cccc7)C)CC(C)[NH2]6)O[N]3=C(C(=[N]2CC[N]1=C(C=C4C)C)C)C.Cl(=O)(=O)(=O)[O-]
• 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: 13.401 ± 0.002 Å
• b: 9.582 ± 0.002 Å
• c: 22.149 ± 0.003 Å
• α: 90°
• β: 107.26 ± 0.02°
• γ: 90°
• Cell volume: 2716 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for all reflections: 0.0874
• Weighted residual factors for significantly intense reflections: 0.0735
• Goodness-of-fit parameter for all reflections: 0.96
• Goodness-of-fit parameter for significantly intense reflections: 0.934
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No