Information card for entry 7053578

Structure parameters

• Formula: C32 H53 I In N3 O
• Calculated formula: C32 H53 I In N3 O
• SMILES: [In]12(I)(Oc3c(N1c1c(cccc1C(C)C)C(C)C)cc(cc3C(C)(C)C)C(C)(C)C)[N](C)(C)CC[N]2(C)C
• 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: 10.4572 ± 0.0002 Å
• b: 21.0844 ± 0.0005 Å
• c: 15.7584 ± 0.0004 Å
• α: 90°
• β: 106.719 ± 0.0004°
• γ: 90°
• Cell volume: 3327.6 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.0676
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No