Information card for entry 4067035

Structure parameters

• Formula: C24 H38 Al N Si3
• Calculated formula: C24 H38 Al N Si3
• SMILES: [Si]1(c2[n]([Al](C1([Si](C)(C)C)[Si](C)(C)C)(C1C=CC=C1)C1C=CC=C1)cccc2)(C)C
• 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: 19.14 ± 0.0005 Å
• b: 9.174 ± 0.0002 Å
• c: 15.447 ± 0.0006 Å
• α: 90°
• β: 103.03 ± 0.0018°
• γ: 90°
• Cell volume: 2642.51 ± 0.14 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: 0.0805
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1378
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No