Information card for entry 4305773

Structure parameters

• Chemical name: [Na(N2C10H8)0.5(C2N2H8)]
• Formula: C14 H24 N6 Na2
• Calculated formula: C14 H24 N6 Na2
• SMILES: [Na+].[Na+].[N-]1C=CC(C=C1)=C1C=C[N-]C=C1.NCCN.NCCN
• 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: 15.1844 ± 0.0004 Å
• b: 13.077 ± 0.00029 Å
• c: 8.3457 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1657.18 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No