Information card for entry 4305772

Structure parameters

• Chemical name: [Na(C2N2H8)2][Na(bipy)2]
• Formula: C24 H32 N8 Na2
• Calculated formula: C24 H32 N8 Na2
• SMILES: c1nccc(c1)c1ccncc1.[Na+].c1cc(c2ccncc2)ccn1.[Na]12([NH2]CC[NH2]2)[NH2]CC[NH2]1
• 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: 9.7528 ± 0.0001 Å
• b: 16.1943 ± 0.0002 Å
• c: 17.2751 ± 0.0003 Å
• α: 90°
• β: 104.763 ± 0.0006°
• γ: 90°
• Cell volume: 2638.36 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No