Information card for entry 7001275

Structure parameters

• Formula: C48.33 H54.67 Cl2 Fe2 N2 O2 Ti
• Calculated formula: C48.3333 H54.6667 Cl2 Fe2 N2 O2 Ti
• 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: 15.3532 ± 0.0002 Å
• b: 31.8628 ± 0.0006 Å
• c: 14.3849 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7037.03 ± 0.19 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0964
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.1525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No