Information card for entry 4338778

Structure parameters

• Formula: C92 H94 In2 N4 O6
• Calculated formula: C92 H94 In2 N4 O6
• SMILES: C1=[N]2c3ccc4ccccc4c3c3c(ccc4ccccc34)[N]3=Cc4c(c(C)cc(c4)C(C)(C)C)O[In]423(Oc2c1cc(cc2C)C(C)(C)C)[O](CC)[In]123([N](=Cc5c(c(cc(c5)C(C)(C)C)C)O2)c2ccc5ccccc5c2c2c(ccc5ccccc25)[N]1=Cc1c(c(C)cc(c1)C(C)(C)C)O3)[O]4CC
• Title of publication: Role of Aggregation in the Synthesis and Polymerization Activity of SalBinap Indium Alkoxide Complexes.
• Authors of publication: Aluthge, Dinesh C.; Yan, Ellen X.; Ahn, Jun Myun; Mehrkhodavandi, Parisa
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 13
• Pages of publication: 6828 - 6836
• a: 15.445 ± 0.003 Å
• b: 15.842 ± 0.003 Å
• c: 22.983 ± 0.005 Å
• α: 88.879 ± 0.004°
• β: 75.526 ± 0.005°
• γ: 80.596 ± 0.004°
• Cell volume: 5370.5 ± 1.9 ų
• Cell temperature: 90 ± 1 K
• Ambient diffraction temperature: 90 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1437
• Residual factor for significantly intense reflections: 0.0966
• Weighted residual factors for significantly intense reflections: 0.2611
• Weighted residual factors for all reflections included in the refinement: 0.2929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No