Information card for entry 4334024

Structure parameters

• Formula: C32 H46 Cr N2 O4
• Calculated formula: C32 H46 Cr N2 O4
• SMILES: C1(=CC(C(C)(C)C)=[O][Cr]23(O1)([n]1ccccc1c1[n]2cccc1)[O]=C(C=C(C(C)(C)C)O3)C(C)(C)C)C(C)(C)C
• 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: 14.3695 ± 0.0012 Å
• b: 11.891 ± 0.0011 Å
• c: 18.1768 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3105.8 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No