Information card for entry 7006987

Structure parameters

• Common name: Bis(2-tert-butylindenyl)zirconium(IV) Dichloride
• Formula: C26 H30 Cl2 Zr
• Calculated formula: C26 H30 Cl2 Zr
• SMILES: [Zr]12345678(Cl)(Cl)([c]9%10cccc[c]19[cH]3[c]5([cH]7%10)C(C)(C)C)[c]13[c]2([cH]4[c]6([cH]81)C(C)(C)C)cccc3
• Title of publication: A general one-pot synthesis for elusive 2-substituted indenes: does bis[2-(tert-butyl)indenyl]zirconium(IV) dichloride/MAO polymerise ethene?
• Authors of publication: Möller, Andreas C; Blom, Richard; Heyn, Richard H.; Swang, Ole; Kopf, Jürgen; Seraidaris, Tanja
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 17
• Pages of publication: 2098 - 2105
• a: 18.637 ± 0.0008 Å
• b: 15.3389 ± 0.0007 Å
• c: 18.6134 ± 0.0008 Å
• α: 90°
• β: 116.2 ± 0.001°
• γ: 90°
• Cell volume: 4774.3 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• 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: 0.0489
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No