Information card for entry 7003455

Structure parameters

• Formula: C36 H45 Cl2 F5 Ga2
• Calculated formula: C36 H45 Cl2 F5 Ga2
• SMILES: C1(C(=C(C(=C1C)C)C)C)(C)[Ga]1(C2(C(=C(C(=C2C)C)C)C)C)[Cl][Ga](C2(C(=C(C(=C2C)C)C)C)C)(c2c(c(c(c(c2F)F)F)F)F)[Cl]1
• 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: 16.844 ± 0.003 Å
• b: 13.772 ± 0.003 Å
• c: 17.627 ± 0.004 Å
• α: 90°
• β: 118.04 ± 0.03°
• γ: 90°
• Cell volume: 3609.1 ± 1.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• 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: 0.1134
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No