Information card for entry 4111249

Structure parameters

• Formula: C32 H50 Si4 Zr
• Calculated formula: C32 H50 Si4 Zr
• SMILES: [Zr]123456789([c]%10([cH]1[c]2([Si](C)(C)C)[c]13[c]4%10cccc1)[Si](C)(C)C)([c]1([cH]8[c]7([Si](C)(C)C)[c]26[c]51cccc2)[Si](C)(C)C)[CH2]=[CH2]9
• Title of publication: Carbon-Oxygen Bond Cleavage with η9,η5-Bis(indenyl)zirconium Sandwich Complexes
• Authors of publication: Christopher A. Bradley; Luis F. Veiros; Doris Pun; Emil Lobkovsky; Ivan Keresztes; Paul J. Chirik
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 16600 - 16612
• a: 10.3139 ± 0.0018 Å
• b: 17.875 ± 0.003 Å
• c: 19.132 ± 0.003 Å
• α: 90.617 ± 0.004°
• β: 98.394 ± 0.004°
• γ: 90.769 ± 0.004°
• Cell volume: 3488.8 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0727
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No