Information card for entry 7001274

Structure parameters

• Formula: C68 H36 F20 Fe4 Li4 N4 O4
• Calculated formula: C68 H36 F20 Fe4 Li4 N4 O4
• SMILES: [Li]123[O]4([c]56[cH]7[Fe]89%10%11%12%135([c]6([cH]9[cH]78)C=[N]1c1c(F)c(F)c(F)c(F)c1F)[cH]1[cH]%10[cH]%11[cH]%12[cH]%131)[Li]15[O]2([c]26[cH]7[Fe]689%10%11%12%13([c]2([cH]%10[cH]7%11)C=[N]1c1c(F)c(F)c(F)c(F)c1F)[cH]1[cH]%12[cH]%13[cH]8[cH]91)[Li]12[O]5([c]56[cH]7[Fe]589%10%11%12%13([c]6([cH]9[cH]7%10)C=[N]1c1c(F)c(F)c(F)c(F)c1F)[cH]1[cH]%13[cH]%12[cH]%11[cH]81)[Li]14[O]23[c]23[cH]4[Fe]356789%10([c]2([cH]5[cH]46)C=[N]1c1c(F)c(F)c(F)c(F)c1F)[cH]1[cH]7[cH]8[cH]9[cH]%101
• Title of publication: Bis(“ferrocene-saliminato”) group 4 metal complexes: synthesis, structural features and use in homogenous Ziegler‒Natta polymerization catalysis
• Authors of publication: Niemeyer, Jochen; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 19
• Pages of publication: 3731 - 3741
• a: 12.0617 ± 0.0003 Å
• b: 21.5748 ± 0.0006 Å
• c: 12.9461 ± 0.0003 Å
• α: 90°
• β: 100.689 ± 0.001°
• γ: 90°
• Cell volume: 3310.49 ± 0.15 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No