Information card for entry 7115508

Structure parameters

• Formula: C21 H31 Cl Cr N2
• Calculated formula: C21 H31 Cl Cr N2
• SMILES: c12ccccc1N(CC(C)(C)C)[Cr]1345([cH]6[cH]1[cH]3[cH]4[cH]56)(N2CC(C)(C)C)Cl
• Title of publication: Influence of redox non-innocent phenylenediamido ligands on chromium imido hydrogen-atom abstraction reactivity
• Authors of publication: Wen Zhou; Brian O. Patrick; Kevin M. Smith
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 9958
• a: 13.5642 ± 0.001 Å
• b: 16.8668 ± 0.0013 Å
• c: 18.294 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4185.4 ± 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 n a
• Hall space group symbol: -P 2ac 2b
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No