Information card for entry 4067036

Structure parameters

• Formula: C24 H38 Ga N Si3
• Calculated formula: C24 H38 Ga N Si3
• SMILES: [Ga]1([n]2c([Si](C1([Si](C)(C)C)[Si](C)(C)C)(C)C)cccc2)(C1C=CC=C1)C1C=CC=C1
• Title of publication: ansa-Zirconocenes with Aluminum or Gallium in Bridging Positions
• Authors of publication: Lund, Clinton L.; Hanson, Samuel S.; Schatte, Gabriele; Quail, J. Wilson; Müller, Jens
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 22
• Pages of publication: 6038
• a: 16.2099 ± 0.0003 Å
• b: 9.7061 ± 0.0002 Å
• c: 19.5175 ± 0.0003 Å
• α: 90°
• β: 122.358 ± 0.001°
• γ: 90°
• Cell volume: 2593.95 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0677
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No