Information card for entry 4065120

Structure parameters

• Formula: C58 H80 Ga4 Si2
• Calculated formula: C58 H80 Ga4 Si2
• SMILES: [Ga]12(C(C)(C)C)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](c2ccccc2)(c2ccccc2)C)[H]1)(Cc1ccccc1)[Si](c1ccccc1)(c1ccccc1)C
• 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: 10.8708 ± 0.0003 Å
• b: 13.595 ± 0.0004 Å
• c: 21.347 ± 0.0006 Å
• α: 105.185 ± 0.0004°
• β: 96.4344 ± 0.0004°
• γ: 108.645 ± 0.0004°
• Cell volume: 2817.99 ± 0.14 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: 0.0555
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No