Information card for entry 7025348

Structure parameters

• Formula: C20 H30 In2 O2
• Calculated formula: C20 H30 In2 O2
• SMILES: C[In]1([O](c2c(cccc2C)C)[In](C)(C)[O]1c1c(cccc1C)C)C
• Title of publication: Rationalizing oligomerization in dimethylindium(III) chalcogenolates (Me2InER') (E = O, S, Se): a structural and computational study.
• Authors of publication: Briand, Glen G.; Decken, Andreas; Hamilton, Nathan S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 16
• Pages of publication: 3833 - 3841
• a: 27.368 ± 0.006 Å
• b: 27.368 ± 0.006 Å
• c: 8.447 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5479 ± 2 ų
• Cell temperature: 198 ± 1 K
• Ambient diffraction temperature: 198 ± 1 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1495
• Weighted residual factors for all reflections included in the refinement: 0.1549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.204
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No