Information card for entry 4305774

Structure parameters

• Chemical name: [Na(N2C10H8)0.5(C2N2H8)]
• Formula: C14 H24 N6 Na2
• Calculated formula: C14 H24 N6 Na2
• SMILES: c1cc(c2ccncc2)ccn1.[Na+].C(N)CN.C(CN)N.[Na+]
• Title of publication: Synthesis and Characterization of the 4,4'-Bipyridyl Dianion and Radical Monoanion. A Structural Study
• Authors of publication: Mark S. Denning; Mark Irwin; Jose M. Goicoechea
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 6118 - 6120
• a: 13.2652 ± 0.0007 Å
• b: 15.2401 ± 0.0008 Å
• c: 8.3637 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1690.83 ± 0.16 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 4
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c e
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0874
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1953
• Weighted residual factors for all reflections included in the refinement: 0.2074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No