Information card for entry 2013220

Structure parameters

• Common name: ansa-[isodicyclopentadienyl(dimethylsilane)(3,5-dimethylphenylamido)]~2~ zirconium
• Chemical name: bis{N-(3,5-dimethylphenyl)-N-[(η^5^-isodicyclopentadien- 2-yl)dimethylsilyl]amido-κN}zirconium(II) diethyl ether solvate
• Formula: C44 H60 N2 O Si2 Zr
• Calculated formula: C44 H60 N2 O Si2 Zr
• SMILES: [Zr]123456789%10(N([Si]([c]%113[cH]2[c]21[c]5([cH]4%11)[C@@H]1CC[C@H]2C1)(C)C)c1cc(cc(c1)C)C)N([Si]([c]18[cH]7[c]26[c]%10([cH]91)[C@H]1CC[C@@H]2C1)(C)C)c1cc(cc(c1)C)C.O(CC)CC
• Title of publication: A doubly bridged isodicyclopentadienyl zirconium complex: bis{<i>N</i>-(3,5-dimethylphenyl)-<i>N</i>-[(η^5^-isodicyclopentadien-2-yl)dimethylsilyl]amido-κ<i>N</i>}zirconium(II) diethyl ether solvate
• Authors of publication: Gallucci, Judith C.; Gentil, Sébastien; Pirio, Nadine; Meunier, Philippe; Gallou, Fabrice; Paquette, Leo A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 2
• Pages of publication: m67 - m69
• a: 10.7036 ± 0.0002 Å
• b: 11.6479 ± 0.0002 Å
• c: 17.4618 ± 0.0003 Å
• α: 70.848 ± 0.001°
• β: 78.069 ± 0.001°
• γ: 84.194 ± 0.001°
• Cell volume: 2010.81 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections: 1.028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No