Information card for entry 4063826

Structure parameters

• Formula: C29 H36 Cl Cr N2
• Calculated formula: C29 H36 Cl Cr N2
• SMILES: CC1=CC(C)=[N](c2c(cccc2C(C)C)C(C)C)[Cr]2345([cH]6[cH]2[cH]3[cH]4[cH]56)(N1c1ccc(cc1)C)Cl
• 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: 15.4866 ± 0.0015 Å
• b: 9.7132 ± 0.0009 Å
• c: 17.9884 ± 0.0018 Å
• α: 90°
• β: 90.428 ± 0.004°
• γ: 90°
• Cell volume: 2705.8 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0785
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No