Information card for entry 7015277

Structure parameters

• Formula: C27 H27 Cl2 Fe N Zr
• Calculated formula: C27 H27 Cl2 Fe N Zr
• Title of publication: Synthesis of [3]ferrocenophane-bridged Cp-amido zirconium complexes and ansa-zirconocene complexes and their use in catalytic polymerisation reactions.
• Authors of publication: Unverhau, Kerstin; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 14
• Pages of publication: 3724 - 3736
• a: 15.558 ± 0.0003 Å
• b: 13.6033 ± 0.0002 Å
• c: 23.1772 ± 0.0004 Å
• α: 90°
• β: 106.068 ± 0.001°
• γ: 90°
• Cell volume: 4713.6 ± 0.14 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• 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: 0.0649
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No