Information card for entry 7111335

Structure parameters

• Formula: C29 H41 In N2
• Calculated formula: C29 H41 In N2
• SMILES: [In]1N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: A mononuclear indium(i) carbene analogue
• Authors of publication: Hill, Michael S.; Hitchcock, Peter B.
• Journal of publication: Chemical Communications
• Year of publication: 2004
• Journal issue: 16
• Pages of publication: 1818 - 1819
• a: 12.5576 ± 0.0004 Å
• b: 16.0978 ± 0.0007 Å
• c: 14.1307 ± 0.0005 Å
• α: 90°
• β: 105.421 ± 0.002°
• γ: 90°
• Cell volume: 2753.68 ± 0.18 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: 0.061
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No