Information card for entry 7001273

Structure parameters

• Formula: C69 H78 Fe3 Li3 N3 O3
• Calculated formula: C69 H78 Fe3 Li3 N3 O3
• SMILES: [Li]12[O]([c]34[cH]5[Fe]6789%10%113([c]4([cH]8[cH]59)C=[N]1c1c(cccc1C(C)C)C(C)C)[cH]1[cH]%10[cH]%11[cH]6[cH]71)[Li]1[O]([c]34[cH]5[Fe]6789%104%11([c]3([cH]%11[cH]56)C=[N]1c1c(cccc1C(C)C)C(C)C)[cH]1[cH]%10[cH]9[cH]8[cH]71)[Li]1[O]2[c]23[cH]4[Fe]56789%103([c]2([cH]9[cH]4%10)C=[N]1c1c(cccc1C(C)C)C(C)C)[cH]3[cH]5[cH]6[cH]7[cH]83
• 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: 14.828 ± 0.001 Å
• b: 17.78 ± 0.001 Å
• c: 23.866 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6292.1 ± 0.6 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0817
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No