Information card for entry 2217601

Structure parameters

• Chemical name: μ-4,4'-Bipyridine-κ^2^<i>N</i>:<i>N</i>'-bis[aqua(4,4'-bipyridine- κ<i>N</i>)(L-valinato-κ^2^<i>N</i>,<i>O</i>)copper(II)] dinitrate dihydrate
• Formula: C40 H52 Cu2 N10 O14
• Calculated formula: C40 H52 Cu2 N10 O14
• SMILES: [Cu]1(OC(=O)[C@@H]([NH2]1)C(C)C)([OH2])([n]1ccc(cc1)c1cc[n]([Cu]2(OC(=O)[C@@H]([NH2]2)C(C)C)([OH2])[n]2ccc(cc2)c2ccncc2)cc1)[n]1ccc(cc1)c1ccncc1.O=N(=O)[O-].O=N(=O)[O-].O.O
• Title of publication: μ-4,4'-Bipyridine-κ^2^<i>N</i>:<i>N</i>'-bis[aqua(4,4'-bipyridine-κ<i>N</i>)(<small>L</small>-valinato-κ^2^<i>N</i>,<i>O</i>)copper(II)] dinitrate dihydrate
• Authors of publication: Lou, Ben-Yong; Hong, Mao-Chun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: m405 - m405
• a: 8.9675 ± 0.0014 Å
• b: 9.6545 ± 0.0016 Å
• c: 13.9421 ± 0.0015 Å
• α: 91.533 ± 0.005°
• β: 100.384 ± 0.004°
• γ: 105.393 ± 0.008°
• Cell volume: 1141.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes