Information card for entry 4320258

Structure parameters

• Formula: C117 H333 Al69 Li1.5 N18 O5 Si36
• Calculated formula: C117 H333 Al69 Li1.5 N18 O5 Si36
• Title of publication: Synthesis and Characterization of an Al693- Cluster with 51 Naked Al Atoms: Analogies and Differences to the Previously Characterized Al772- Cluster
• Authors of publication: Harald Köhnlein; Andreas Purath; Christoph Klemp; Elke Baum; Ingo Krossing; Gregor Stösser; Hansgeorg Schnöckel
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 4830 - 4838
• a: 28.6252 ± 0.0018 Å
• b: 28.4753 ± 0.0013 Å
• c: 43.545 ± 0.002 Å
• α: 90°
• β: 107.328 ± 0.007°
• γ: 90°
• Cell volume: 33883 ± 3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1451
• Residual factor for significantly intense reflections: 0.1152
• Weighted residual factors for significantly intense reflections: 0.28
• Weighted residual factors for all reflections included in the refinement: 0.2907
• Goodness-of-fit parameter for all reflections included in the refinement: 2.68
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No