Information card for entry 7015282

Structure parameters

• Formula: C21 H20 Cl Fe N
• Calculated formula: C21 H20 Cl Fe N
• SMILES: [Fe]123456789[c]%10([cH]1[cH]2[cH]3[cH]4%10)[C@@H](C)C[C@H](Cl)[c]15[cH]6[cH]7[cH]8[c]91/N=C/c1ccccc1.[Fe]123456789[c]%10([cH]1[cH]2[cH]3[cH]4%10)[C@H](C)C[C@@H](Cl)[c]15[cH]6[cH]7[cH]8[c]91/N=C/c1ccccc1
• 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: 11.4469 ± 0.0003 Å
• b: 13.7506 ± 0.0004 Å
• c: 11.5357 ± 0.0003 Å
• α: 90°
• β: 107.176 ± 0.001°
• γ: 90°
• Cell volume: 1734.76 ± 0.08 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0638
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No