Information card for entry 8103359

Structure parameters

• Formula: C19.5 H30 Cl3 In N2 O1.5
• Calculated formula: C19.5 H30 Cl3 In N2 O1.5
• SMILES: c1cc(C(C)(C)C)cc2c3cc(C(C)(C)C)cc[n]3[In]([n]12)([OH]C)(Cl)(Cl)Cl.CO
• Title of publication: Crystal structure of trichloro(4,4'-di-tert-butyl-2,2'-bipyridine-k2N,N')(methanol-kO)indium(III) — methanol (1:0.5), InCl3(CH3OH)(C18H24N2) · 0.5CH3OH
• Authors of publication: Anita Abedi; Ali Reza Safari; Vahid Amani
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2012
• Journal volume: 227
• Journal issue: 2
• Pages of publication: 196
• a: 14.2031 ± 0.0009 Å
• b: 16.9331 ± 0.0007 Å
• c: 21.7111 ± 0.0013 Å
• α: 90°
• β: 106.513 ± 0.005°
• γ: 90°
• Cell volume: 5006.2 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0977
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1327
• Weighted residual factors for all reflections included in the refinement: 0.1472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No