Information card for entry 7003459

Structure parameters

• Common name: bis(pentamethylcyclopentadienyl)methylgallane
• Formula: C21 H33 Ga
• Calculated formula: C21 H33 Ga
• SMILES: [Ga]1(C)([C]2(=C(C)C(=C(C)C12C)C)C)C1(C(=C(C(=C1C)C)C)C)C
• Title of publication: Group 13 decamethylmetallocenium cations
• Authors of publication: Macdonald, Charles L. B.; Gorden, John D.; Voigt, Andreas; Filipponi, Silvia; Cowley, Alan H.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 9
• Pages of publication: 1161 - 1176
• a: 7.8112 ± 0.0004 Å
• b: 11.2335 ± 0.0004 Å
• c: 11.1606 ± 0.0006 Å
• α: 90°
• β: 93.797 ± 0.003°
• γ: 90°
• Cell volume: 977.16 ± 0.08 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.117
• Residual factor for significantly intense reflections: 0.1135
• Weighted residual factors for significantly intense reflections: 0.2995
• Weighted residual factors for all reflections included in the refinement: 0.3038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.408
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No