Information card for entry 7053580

Structure parameters

• Formula: C36 H63 I2 In N3 O2
• Calculated formula: C36 H63 I2 In N3 O2
• SMILES: [In]12(I)(I)(Oc3c(cc(cc3N1c1c(cccc1C(C)C)C(C)C)C(C)(C)C)C(C)(C)C)[N](C)(C)CC[N]2(C)C.O(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: 11.0845 ± 0.0005 Å
• b: 12.522 ± 0.0005 Å
• c: 30.1245 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4181.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0207
• Residual factor for significantly intense reflections: 0.0193
• Weighted residual factors for significantly intense reflections: 0.0445
• Weighted residual factors for all reflections included in the refinement: 0.0451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No