Information card for entry 2005019

Structure parameters

• Chemical name: sodium [1,3-propanodiylbis(oximato)cupprate(II)] hexahydrate
• Formula: C7 H18 Cu N2 Na2 O12
• Calculated formula: C7 H18 Cu N2 Na2 O12
• SMILES: [Cu]123OC(=O)C(=O)N2CCCN3C(=O)C(=O)O1.[Na+].[Na+].O.O.O.O.O.O
• Title of publication: Disodium [<i>N</i>,<i>N</i>'-(1,3-Propanediyl)bis(oxamato-<i>N</i>,<i>O</i>)]cuprate(II) Hexahydrate
• Authors of publication: Rodríguez-Romero, F. V.; Ruiz-Pérez, C.; Solans, X.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 6
• Pages of publication: 1415 - 1417
• a: 11.194 ± 0.002 Å
• b: 10.492 ± 0.002 Å
• c: 6.976 ± 0.002 Å
• α: 94.62 ± 0.02°
• β: 97.78 ± 0.02°
• γ: 102.54 ± 0.02°
• Cell volume: 787.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0719
• Weighted residual factors for all reflections: 0.1872
• Weighted residual factors for significantly intense reflections: 0.0774
• Goodness-of-fit parameter for all reflections: 1.076
• Goodness-of-fit parameter for significantly intense reflections: 0.948
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No