Information card for entry 4317566

Structure parameters

• Formula: C10 H12 Cu Na2 O16
• Calculated formula: C10 H12 Cu Na2 O16
• SMILES: O.O.[Cu]12(OC3=C(O1)C(=O)C(=O)C3=O)(OC1=C(O2)C(=O)C(=O)C1=O)([OH2])[OH2].[Na+].O.O.[Na+]
• Title of publication: Synthesis and Structural Characterization of [Na2M(C5O5)2(H2O)2].4H2O (M = NiII, CuII)
• Authors of publication: Chih-Chieh Wang; Cheng-Han Yang; Gene-Hsiang Lee
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 1015 - 1018
• a: 6.3924 ± 0.0013 Å
• b: 7.971 ± 0.002 Å
• c: 8.82 ± 0.002 Å
• α: 84.7 ± 0.02°
• β: 83.27 ± 0.02°
• γ: 70.82 ± 0.02°
• Cell volume: 420.85 ± 0.17 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for all reflections: 0.1313
• Weighted residual factors for significantly intense reflections: 0.1217
• Goodness-of-fit parameter for all reflections: 1.024
• Goodness-of-fit parameter for significantly intense reflections: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No