Information card for entry 7014385

Structure parameters

• Formula: C42 H76 In K N2 O8
• Calculated formula: C42 H76 In K N2 O8
• SMILES: c12c(c(ccc1C(C)(C)C)C(C)(C)C)O[In]13([N](C)(C)CC[N]3(C)C)([O]23)Oc2c(c(ccc2C(C)(C)C)C(C)(C)C)[O]1[K]312([O](C)CC[O]1C)[O](C)CC[O]2C
• 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: 17.0349 ± 0.0005 Å
• b: 17.2131 ± 0.0005 Å
• c: 16.1378 ± 0.0005 Å
• α: 90°
• β: 98.112 ± 0.001°
• γ: 90°
• Cell volume: 4684.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0247
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.0561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No