Information card for entry 4070051

Structure parameters

• Formula: C31 H35 In3 O4
• Calculated formula: C31 H35 In3 O4
• SMILES: [In]1([O]2[In]34([O]1c1ccccc1Cc1c([O]4[In]([O]3c3ccccc3Cc3c2cccc3)(C)C)cccc1)C)(C)C
• Title of publication: Synthesis and Structural Characterization of Some Alkylindium Bisphenoxides
• Authors of publication: Ziemkowska, Wanda; Cyrański, Michal̷ K.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 18
• Pages of publication: 5593
• a: 14.9064 ± 0.0005 Å
• b: 12.5295 ± 0.0004 Å
• c: 19.9118 ± 0.0008 Å
• α: 90°
• β: 124.25 ± 0.003°
• γ: 90°
• Cell volume: 3074 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0344
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No