Information card for entry 4076815

Structure parameters

• Formula: C32 H66 Ga6
• Calculated formula: C32 H66 Ga6
• SMILES: [Ga]1(CC)C2([Ga](CC)C3([Ga](CC)C([Ga](CC)C1([Ga]3CC)CCCC)([Ga]2CC)CCCC)CCCC)CCCC
• Title of publication: Hydrogallation of Alkynes: Syntheses of Carbon−Gallium Cages Possessing Heteroadamantane Structures
• Authors of publication: Uhl, Werner; Cuypers, Lars; Neumüller, Bernhard; Weller, Frank
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 12
• Pages of publication: 2365
• a: 16.1617 ± 0.0008 Å
• b: 16.1617 ± 0.0008 Å
• c: 14.0998 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3682.9 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0533
• Weighted residual factors for all reflections included in the refinement: 0.0541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No