Information card for entry 4317565

Structure parameters

• Formula: C10 H12 Na2 Ni O16
• Calculated formula: C10 H12 Na2 Ni O16
• SMILES: C12=C(O[Ni]3(O2)([OH2])(OC2=C(C(=O)C(=O)C2=O)O3)[OH2])C(=O)C(=O)C1=O.O.O.[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: 6.9223 ± 0.0014 Å
• b: 7.9382 ± 0.0013 Å
• c: 8.703 ± 0.002 Å
• α: 100.54 ± 0.02°
• β: 111.74 ± 0.02°
• γ: 99.622 ± 0.015°
• Cell volume: 422.03 ± 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: 0.0295
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for all reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.0683
• Goodness-of-fit parameter for all reflections: 1.073
• Goodness-of-fit parameter for significantly intense reflections: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No