Information card for entry 4065122

Structure parameters

• Formula: C40 H76 Ga4 Si2
• Calculated formula: C40 H76 Ga4 Si2
• SMILES: [GaH]12[C@@]([Ga]3(C(C)(C)C)[H][Ga](C(C)(C)C)([C@@]([Ga](C(C)(C)C)([H]2)[H]3)(Cc2ccccc2)[Si](C)(C)C(C)(C)C)[H]1)([Si](C)(C)C(C)(C)C)Cc1ccccc1.[GaH]12[C@]([Ga]3(C(C)(C)C)[H][Ga](C(C)(C)C)([C@]([Ga](C(C)(C)C)([H]2)[H]3)(Cc2ccccc2)[Si](C)(C)C(C)(C)C)[H]1)([Si](C)(C)C(C)(C)C)Cc1ccccc1
• Title of publication: Unexpected Formation of Ga4C2H4Heteroadamantane Cages by the Reaction of Carbon-Bridged Bis(dichlorogallium) Compounds withtert-Butyllithium
• Authors of publication: Uhl, Werner; Kovert, Dirk; Zemke, Sarina; Hepp, Alexander
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 17
• Pages of publication: 4736
• a: 11.3848 ± 0.0002 Å
• b: 12.0924 ± 0.0002 Å
• c: 18.4019 ± 0.0003 Å
• α: 80.451 ± 0.001°
• β: 74.675 ± 0.001°
• γ: 68.674 ± 0.001°
• Cell volume: 2269.12 ± 0.07 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0489
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No