Information card for entry 7023174

Structure parameters

• Formula: C66 H109 In N2 Na O9
• Calculated formula: C66 H109 In N2 Na O9
• SMILES: c12c(c(cc(c1)C(C)(C)C)C(C)(C)C)O[In]1(N2c2c(cccc2C(C)C)C(C)C)N(c2c(O1)c(C(C)(C)C)cc(c2)C(C)(C)C)c1c(cccc1C(C)C)C(C)C.C[O]1CC[O]([Na]231([O](C)CC[O]3C)[O](C)CC[O]2C)C.C(COC)OC
• Title of publication: The new C-C bond formation in the reaction of o-amidophenolate indium(III) complex with alkyl iodides.
• Authors of publication: Piskunov, Alexandr V.; Meshcheryakova, Irina N.; Fukin, Georgy K.; Shavyrin, Andrei S.; Cherkasov, Vladimir K.; Abakumov, Gleb A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 29
• Pages of publication: 10533 - 10539
• a: 13.1453 ± 0.0005 Å
• b: 16.6419 ± 0.0006 Å
• c: 17.5596 ± 0.0006 Å
• α: 65.234 ± 0.001°
• β: 85.407 ± 0.001°
• γ: 87.69 ± 0.001°
• Cell volume: 3476.8 ± 0.2 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: 0.0557
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No