Information card for entry 4334027

Structure parameters

• Formula: C20 H18 Cr N2
• Calculated formula: C20 H18 Cr N2
• SMILES: c1cccc2c3cccc[n]3[Cr]3456(C7C=CC=C7)([cH]7[cH]6[cH]5[cH]4[cH]37)[n]12
• Title of publication: Direct Synthesis of Ligand-Based Radicals by the Addition of Bipyridine to Chromium(II) Compounds
• Authors of publication: Wen Zhou; Addison N. Desnoyer; James A. Bailey; Brian O. Patrick; Kevin M. Smith
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 2271 - 2273
• a: 7.4323 ± 0.0004 Å
• b: 11.9141 ± 0.0006 Å
• c: 17.8562 ± 0.001 Å
• α: 90°
• β: 91.95 ± 0.002°
• γ: 90°
• Cell volume: 1580.24 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No