Information card for entry 7015279

Structure parameters

• Formula: C29 H29 Fe N
• Calculated formula: C29 H29 Fe N
• SMILES: [Fe]123456789[c]%10([cH]4[cH]3[cH]2[cH]1%10)[C@H](C)C[C@@H](N(C)C)[c]15[cH]6[cH]7[cH]8[c]91[C@H]1c2ccccc2c2ccccc12.[Fe]123456789[c]%10([cH]4[cH]3[cH]2[cH]1%10)[C@@H](C)C[C@H](N(C)C)[c]15[cH]6[cH]7[cH]8[c]91[C@@H]1c2ccccc2c2ccccc12
• 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: 9.4004 ± 0.0002 Å
• b: 15.8211 ± 0.0004 Å
• c: 29.6255 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4406.04 ± 0.18 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1017
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No