Information card for entry 4070756

Structure parameters

• Formula: C61.5 H65 Fe Lu N2 O2 Si
• Calculated formula: C58 H61 Fe Lu N2 O2 Si
• SMILES: [Lu]1([O]2CCCC2)([O]2CCCC2)(N([c]23[Fe]456789%10([c]([c]4([cH]25)c2ccccc2)([cH]36)c2ccccc2)[c]2([c]7([cH]8[c]9(N1c1ccccc1)[cH]%102)c1ccccc1)c1ccccc1)c1ccccc1)C[Si](C)(C)C
• Title of publication: Alkyl Complexes of Rare-Earth Metal Centers Supported by Chelating 1,1′-Diamidoferrocene Ligands: Synthesis, Structure, and Application in Methacrylate Polymerization
• Authors of publication: Eppinger, Jörg; Nikolaides, Katharina R.; Zhang-Presse, Mei; Riederer, Florian A.; Rabe, Gerd W.; Rheingold, Arnold L.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 4
• Pages of publication: 736
• a: 12.447 ± 0.003 Å
• b: 15.072 ± 0.004 Å
• c: 15.12 ± 0.004 Å
• α: 69.439 ± 0.004°
• β: 76.291 ± 0.004°
• γ: 78.331 ± 0.004°
• Cell volume: 2558 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0247
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections included in the refinement: 0.0613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No