Information card for entry 7053579

Structure parameters

• Formula: C56 H84 In2 N2 O2
• Calculated formula: C56 H84 In2 N2 O2
• SMILES: [In]12([O](c3c(cc(cc3N3c4c(cccc4C(C)C)C(C)C)C(C)(C)C)C(C)(C)C)[In]3([O]1c1c(cc(cc1N2c1c(cccc1C(C)C)C(C)C)C(C)(C)C)C(C)(C)C)CC)CC
• Title of publication: Indium(iii) complexes with o-iminobenzoquinone in different redox states
• Authors of publication: Piskunov, Alexandr V.; Mescheryakova, Irina N.; Fukin, Georgy K.; Cherkasov, Vladimir K.; Abakumov, Gleb A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 8
• Pages of publication: 1746
• a: 11.3746 ± 0.0003 Å
• b: 11.6291 ± 0.0003 Å
• c: 21.8535 ± 0.0006 Å
• α: 85.005 ± 0.001°
• β: 82.521 ± 0.001°
• γ: 68.264 ± 0.001°
• Cell volume: 2659.96 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0299
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.0644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No