Information card for entry 4065119

Structure parameters

• Formula: C38 H72 Ga4 Si2
• Calculated formula: C38 H72 Ga4 Si2
• SMILES: [Ga]12(C(C)(C)C)C([Si](C)(C)C)(Cc3ccccc3)[Ga]3(C(C)(C)C)[H][Ga](C(C)(C)C)(C([Si](C)(C)C)(Cc4ccccc4)[Ga](C(C)(C)C)([H]2)[H]3)[H]1
• 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: 21.852 ± 0.004 Å
• b: 10.257 ± 0.002 Å
• c: 21.213 ± 0.004 Å
• α: 90°
• β: 112.836 ± 0.004°
• γ: 90°
• Cell volume: 4381.9 ± 1.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No