Information card for entry 7014044

Structure parameters

• Common name: Zr-metallorganic
• Chemical name: Zr-metallorganic
• Formula: C22 H26 Cl2 Si2 Zr
• Calculated formula: C22 H26 Cl2 Si2 Zr
• SMILES: [Zr]12345678(Cl)(Cl)([c]9%10[c]1([cH]2[c]3([cH]49)[SiH](C)C)cccc%10)[c]12cccc[c]51[cH]6[c]7([cH]82)[SiH](C)C
• Title of publication: Synthesis, structure, and ethene polymerisation catalysis of 1- or 2-silyl substituted bis[indenyl]zirconium(IV) dichlorides.
• Authors of publication: Möller, Andreas C; Heyn, Richard H.; Blom, Richard; Swang, Ole; Görbitz, Carl Henrik; Kopf, Jürgen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 10
• Pages of publication: 1578 - 1589
• a: 10.6354 ± 0.0001 Å
• b: 13.455 ± 0.0002 Å
• c: 16.3064 ± 0.0001 Å
• α: 90°
• β: 98.783 ± 0.001°
• γ: 90°
• Cell volume: 2306.07 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0703
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No