Information card for entry 4063817

Structure parameters

• Formula: C29 H36 Cr N2
• Calculated formula: C29 H36 Cr N2
• SMILES: c1(c(cccc1C(C)C)C(C)C)N1C(=CC(C)=[N](c2ccc(cc2)C)[Cr]23451[cH]1[cH]2[cH]3[cH]4[cH]51)C
• Title of publication: Electronic Effects in the Oxidative Addition of Iodomethane with Mixed-Aryl β-Diketiminate Chromium Complexes
• Authors of publication: Zhou, Wen; Tang, Liming; Patrick, Brian O.; Smith, Kevin M.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 3
• Pages of publication: 603
• a: 9.3941 ± 0.0007 Å
• b: 19.1453 ± 0.0014 Å
• c: 14.2404 ± 0.0011 Å
• α: 90°
• β: 90.387 ± 0.002°
• γ: 90°
• Cell volume: 2561.1 ± 0.3 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: 0.0434
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No