Information card for entry 4303035

Structure parameters

• Chemical name: [K4(N2C10H8)4(N2C2H8)4]
• Formula: C12 H16 K N4
• Calculated formula: C12 H16 K N4
• SMILES: [K+].n1ccccc1c1ncccc1.NCCN
• Title of publication: Synthesis and Characterization of Alkali-Metal Salts of 2,2'- and 2,4'-Bipyridyl Radicals and Dianions
• Authors of publication: Edward Gore-Randall; Mark Irwin; Mark S. Denning; Jose M. Goicoechea
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 8304 - 8316
• a: 14.7111 ± 0.0001 Å
• b: 18.6597 ± 0.0002 Å
• c: 21.5292 ± 0.0003 Å
• α: 90°
• β: 118.91 ± 0.001°
• γ: 90°
• Cell volume: 5173.38 ± 0.11 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: 0.0754
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No