Information card for entry 4308179

Structure parameters

• Formula: C33 H50 Br In N2
• Calculated formula: C33 H50 Br In N2
• SMILES: [In]1(Br)(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)C(C)(C)C
• Title of publication: Oxidative Addition Reactions of Alkyl Halides with the Group 13 Carbene Analogue [In{N(Dipp)C(Me)}2CH] (Dipp = 2,6-iPr2C6H3)
• Authors of publication: Michael S. Hill; Peter B. Hitchcock; Ruti Pongtavornpinyo
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 3783 - 3788
• a: 10.2964 ± 0.0002 Å
• b: 27.2575 ± 0.0004 Å
• c: 12.2832 ± 0.0003 Å
• α: 90°
• β: 106.063 ± 0.001°
• γ: 90°
• Cell volume: 3312.74 ± 0.12 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0818
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1431
• Weighted residual factors for all reflections included in the refinement: 0.1582
• Goodness-of-fit parameter for all reflections included in the refinement: 0.86
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No