Information card for entry 7217835

Structure parameters

• Formula: C55 H80 In N3 O2 S2
• Calculated formula: C55 H80 In N3 O2 S2
• SMILES: [In]123(N(c4c(O1)c(cc(c4)C(C)(C)C)C(C)(C)C)c1c(cccc1C(C)C)C(C)C)(N(c1c(O2)c(cc(c1)C(C)(C)C)C(C)(C)C)c1c(cccc1C(C)C)C(C)C)[S]=C(N(C)C)S3
• Title of publication: The reactivity of o-amidophenolate indium(III) complexes towards different oxidants
• Authors of publication: Piskunov, Alexandr Vladimirovich; Meshcheryakova, Irina N.; Ershova, Irina V.; Bogomyakov, Artem Stepanovich; Cherkasov, Anton; Fukin, Georgii K.
• Journal of publication: RSC Advances
• Year of publication: 2014
• a: 11.8378 ± 0.0008 Å
• b: 13.5406 ± 0.0009 Å
• c: 17.8321 ± 0.0011 Å
• α: 101.532 ± 0.001°
• β: 92.074 ± 0.001°
• γ: 99.227 ± 0.001°
• Cell volume: 2757.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No