Information card for entry 1548074

Structure parameters

• Chemical name: [In(Phen)2Ag(C6H5F)][Al(OC(CF3)3)4]2
• Formula: C80 H36 Ag Al2 F76 In N4 O8
• Calculated formula: C80 H36 Ag Al2 F76 In N4 O8
• SMILES: [In]12([Ag]34[cH]5[cH]3cc(c[cH]45)F)([n]3cccc4ccc5ccc[n]1c5c34)[n]1cccc3ccc4ccc[n]2c4c13.[Al](OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.[Al](OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.Fc1ccccc1.Fc1ccccc1.Fc1ccccc1
• 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: 16.4785 ± 0.0008 Å
• b: 23.7211 ± 0.0012 Å
• c: 25.2293 ± 0.0013 Å
• α: 90°
• β: 97.519 ± 0.003°
• γ: 90°
• Cell volume: 9777 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.058
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No