Information card for entry 7014386

Structure parameters

• Formula: C36 H56 I2 In2 O6
• Calculated formula: C36 H56 I2 In2 O6
• SMILES: c12c(c(ccc1C(C)(C)C)C(C)(C)C)O[In]13([O]2[In](I)(I)[O]3c2c(c(ccc2C(C)(C)C)C(C)(C)C)O1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Synthesis and molecular structure of indium complexes based on 3,6-di-tert-butyl-o-benzoquinone. Looking for indium(I) o-semiquinolate.
• Authors of publication: Piskunov, Alexandr V.; Maleeva, Aryna V.; Fukin, Georgii K.; Baranov, Evgenii V.; Bogomyakov, Artem S.; Cherkasov, Vladimir K.; Abakumov, Gleb A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 3
• Pages of publication: 718 - 725
• a: 22.3131 ± 0.0009 Å
• b: 9.8806 ± 0.0004 Å
• c: 18.2309 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4019.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0256
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections included in the refinement: 0.0571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No