Information card for entry 4315740

Structure parameters

• Formula: C25 H45 In N2 O
• Calculated formula: C25 H45 In N2 O
• SMILES: C[In]12(C)[N](C)(C)[C@H]3[C@@H](CCCC3)[NH]1Cc1c(c(cc(c1)C(C)(C)C)C(C)(C)C)O2.C[In]12(C)[N](C)(C)[C@@H]3[C@H](CCCC3)[NH]1Cc1c(c(cc(c1)C(C)(C)C)C(C)(C)C)O2
• Title of publication: Synthesis and Structural Studies of Chiral Indium(III) Complexes Supported by Tridentate Diaminophenol Ligands
• Authors of publication: Alberto Acosta-Ramírez; Amy F. Douglas; Insun Yu; Brian O. Patrick; Paula L. Diaconescu; Parisa Mehrkhodavandi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 5444 - 5452
• a: 19.6863 ± 0.0012 Å
• b: 13.1562 ± 0.0008 Å
• c: 20.1573 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5220.7 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0536
• Weighted residual factors for all reflections included in the refinement: 0.0615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No