Information card for entry 4063820

Structure parameters

• Formula: C29 H36 Cr I N2
• Calculated formula: C29 H36 Cr I N2
• SMILES: CC1=CC(C)=[N](c2ccc(cc2)C)[Cr]2345([cH]6[cH]5[cH]4[cH]3[cH]26)(N1c1c(cccc1C(C)C)C(C)C)I
• 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: 10.6796 ± 0.001 Å
• b: 11.1452 ± 0.0009 Å
• c: 12.5877 ± 0.0011 Å
• α: 101.817 ± 0.004°
• β: 109.367 ± 0.004°
• γ: 94.167 ± 0.004°
• Cell volume: 1367.4 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0293
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0543
• Weighted residual factors for all reflections included in the refinement: 0.0567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No