Information card for entry 7005100

Structure parameters

• Formula: C63 H75 In3 N6 O3
• Calculated formula: C63 H75 In3 N6 O3
• SMILES: [In]12(O[In]3(O[In]4(O1)[N](=C(C=C(N4c1c(cccc1C)C)C)C)c1c(cccc1C)C)N(C(=CC(=[N]3c1c(cccc1C)C)C)C)c1c(cccc1C)C)[N](=C(C=C(N2c1c(cccc1C)C)C)C)c1c(cccc1C)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: 13.9231 ± 0.0003 Å
• b: 34.7614 ± 0.001 Å
• c: 14.023 ± 0.0003 Å
• α: 90°
• β: 118.272 ± 0.001°
• γ: 90°
• Cell volume: 5977.3 ± 0.3 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: 0.0781
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No