Information card for entry 4315743

Structure parameters

• Formula: C54 H100 I2 In2 N4 O6
• Calculated formula: C54 H100 I2 In2 N4 O6
• SMILES: [C@H]12[C@@H](CCCC1)[NH]1[In]3([N]2(C)C)(Oc2c(cc(cc2C(C)(C)C)C(C)(C)C)C1)(I)[OH][In]12(I)([NH]([C@@H]4[C@H](CCCC4)[N]1(C)C)Cc1c(O2)c(cc(c1)C(C)(C)C)C(C)(C)C)[OH]3.O(CC)CC.O(CC)CC
• 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: 12.6093 ± 0.0005 Å
• b: 15.3852 ± 0.0007 Å
• c: 15.9537 ± 0.0007 Å
• α: 90°
• β: 102.392 ± 0.001°
• γ: 90°
• Cell volume: 3022.9 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0344
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.0396
• Weighted residual factors for all reflections included in the refinement: 0.0444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No