Information card for entry 7009376

Structure parameters

• Formula: C28 H60 Si6 Zr
• Calculated formula: C28 H60 Si6 Zr
• SMILES: [CH]1([Si](C)(C)C)=[CH]2[Zr]13456789%10([CH](=[CH]%10[Si](C)(C)C)C9[Si](C4[CH]6=[CH]8[Si](C)(C)C)(C)C)C2[Si](C3[CH]5=[CH]7[Si](C)(C)C)(C)C
• Title of publication: Synthesis and structural characterisation of new ansa-bis(propene)s and {ansa-bis(allyl)}alkali metal and {ansa-bis(allyl)}transition metal complexes
• Authors of publication: Fernández-Galán, Rafael; Hitchcock, Peter B.; Lappert, Michael F.; Antiñolo, Antonio; Rodríguez, Ana M.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 11
• Pages of publication: 1743
• a: 11.512 ± 0.002 Å
• b: 17.267 ± 0.003 Å
• c: 19.367 ± 0.002 Å
• α: 90°
• β: 103.39 ± 0.02°
• γ: 90°
• Cell volume: 3745.1 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1216
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections: 0.1661
• Weighted residual factors for significantly intense reflections: 0.1357
• Goodness-of-fit parameter for all reflections: 1.043
• Goodness-of-fit parameter for significantly intense reflections: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No