Information card for entry 1548073

Structure parameters

• Chemical name: [In4(PHEN)6][Al(OC(CF3)3)4]4
• Formula: C86 H39 Al2 F75 In2 N6 O8
• Calculated formula: C86 H39 Al2 F75 In2 N6 O8
• Title of publication: Cationic cluster formation versus disproportionation of low-valent indium and gallium complexes of 2,2'-bipyridine
• Authors of publication: Martin R. Lichtenthaler; Florian Stahl; Daniel Kratzert; Lorenz Heidinger; Erik Schleicher; Julian Hamann; Daniel Himmel; Stefan Weber; Ingo Krossing
• Journal of publication: Nature Communications
• Year of publication: 2015
• Journal volume: 6
• Pages of publication: 8288
• a: 20.2872 ± 0.0005 Å
• b: 28.7711 ± 0.0007 Å
• c: 19.7149 ± 0.0006 Å
• α: 90°
• β: 117.303 ± 0.0013°
• γ: 90°
• Cell volume: 10225.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.1347
• Residual factor for significantly intense reflections: 0.09
• Weighted residual factors for significantly intense reflections: 0.2232
• Weighted residual factors for all reflections included in the refinement: 0.2524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.272
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No