Information card for entry 7015278

Structure parameters

• Formula: C29 H29 Fe N O
• Calculated formula: C29 H29 Fe N O
• SMILES: [Fe]123456789[c]%10([cH]1[cH]2[cH]3[cH]4%10)[C@@H](C)C[C@H](N(C)C)[c]15[cH]6[cH]7[cH]8[c]91[C@@]1(O)c2ccccc2c2ccccc12.[Fe]123456789[c]%10([cH]1[cH]2[cH]3[cH]4%10)[C@H](C)C[C@@H](N(C)C)[c]15[cH]6[cH]7[cH]8[c]91[C@]1(O)c2ccccc2c2ccccc12
• 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: 10.501 ± 0.001 Å
• b: 13.098 ± 0.001 Å
• c: 18.067 ± 0.001 Å
• α: 90°
• β: 113.07 ± 0.01°
• γ: 90°
• Cell volume: 2286.2 ± 0.4 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 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: 0.1082
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1429
• Weighted residual factors for all reflections included in the refinement: 0.163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No