Information card for entry 4067038

Structure parameters

• Formula: C24 H37 Al Cl3 N Si3 Zr
• Calculated formula: C24 H37 Al Cl3 N Si3 Zr
• SMILES: [Zr]12345678(Cl)(Cl)([c]9([Al]%10(Cl)[n]%11c([Si](C%10([Si](C)(C)C)[Si](C)(C)C)(C)C)cccc%11)[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[cH]81
• 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: 16.851 ± 0.003 Å
• b: 10.516 ± 0.002 Å
• c: 17.334 ± 0.004 Å
• α: 90°
• β: 103.36 ± 0.03°
• γ: 90°
• Cell volume: 2988.5 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0675
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No