Information card for entry 4104234

Structure parameters

• Common name: Penta(di-tert.-butylphosphan)galan(3)
• Formula: C40 H90 Ga3 P5
• Calculated formula: C40 H90 Ga3 P5
• SMILES: [Ga]12([Ga]([Ga](P(C(C)(C)C)C(C)(C)C)[P]2(C(C)(C)C)C(C)(C)C)(P(C(C)(C)C)C(C)(C)C)[P]1(C(C)(C)C)C(C)(C)C)P(C(C)(C)C)C(C)(C)C
• Title of publication: Al4(PtBu2)6- a Derivative of Al4H6- and Other Al4 Species: A Challenge for Bonding Interpretation between Zintl Ions and Metalloid Clusters
• Authors of publication: Patrick Henke; Michael Huber; Jochen Steiner; Kit Bowen; Bryan Eichhorn; Hansgeorg Schnöckel
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 5698 - 5704
• a: 11.666 ± 0.002 Å
• b: 12.902 ± 0.003 Å
• c: 18.331 ± 0.004 Å
• α: 90.96 ± 0.03°
• β: 106.39 ± 0.03°
• γ: 99.6 ± 0.03°
• Cell volume: 2604 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 0.827
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No