Information card for entry 7702607

Structure parameters

• Formula: C16 H11 Cu2 N2 Na O9
• Calculated formula: C16 H11 Cu2 N2 Na O9
• SMILES: C1=N(=O)[Cu]23[N](=Cc4c5c(C(=O)O[Cu]6([O]2c2c1cccc2C(=O)O6)[O]35)ccc4)O.[Na+].O
• Title of publication: Dinuclear CuII and NiII complexes of 3-formylsalicylic acid oxime: cis/trans topology and extension of a cis-CuII2 complex to a pentanuclear CuIICuIIMnIICuIICuII complex
• Authors of publication: Ikeda, Kazuhide; Ohba, Masaaki; ÅŒkawa, Hisashi
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 20
• Pages of publication: 3119
• a: 9.347 ± 0.003 Å
• b: 11.033 ± 0.002 Å
• c: 8.607 ± 0.002 Å
• α: 101.65 ± 0.02°
• β: 92.07 ± 0.02°
• γ: 75.28 ± 0.02°
• Cell volume: 840.7 ± 0.4 ų
• Cell temperature: 296.2 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 significantly intense reflections: 0.0339
• Weighted residual factors for all reflections included in the refinement: 0.0485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.917
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No