Information card for entry 7005099

Structure parameters

• Formula: C42 H50 In2 N4
• Calculated formula: C42 H50 In2 N4
• SMILES: C1(=[N](c2c(cccc2C)C)[In](N(C(=C1)C)c1c(cccc1C)C)[In]1N(C(=CC(=[N]1c1c(cccc1C)C)C)C)c1c(cccc1C)C)C
• Title of publication: Solid- and solution-state structures of indium 'alkene analogues'.
• Authors of publication: Hill, Michael S.; Hitchcock, Peter B.; Pongtavornpinyo, Ruti
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 7
• Pages of publication: 731 - 733
• a: 8.6989 ± 0.0005 Å
• b: 10.0246 ± 0.0006 Å
• c: 12.3181 ± 0.0007 Å
• α: 67.338 ± 0.003°
• β: 82.783 ± 0.003°
• γ: 83.862 ± 0.003°
• Cell volume: 981.38 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No