Information card for entry 4079077

Structure parameters

• Formula: C21 H36 Fe O3 Si2
• Calculated formula: C21 H36 Fe O3 Si2
• SMILES: [Fe]12345678([c]9([c]1([c]2([c]3([Si](C)(C)C)[cH]49)O)C(OCC)OCC)[Si](C)(C)C)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: (“Ferrocene-salaldiminato”)zirconium Complexes for Ethylene Polymerization Catalysis: The Role of the Bulky Substituents
• Authors of publication: Wang, Xiaowu; Fröhlich, Roland; Daniliuc, Constantin G.; Rieger, Bernhard; Jonovic, Aleksandra; Kehr, Gerald; Erker, Gerhard
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 19
• Pages of publication: 6741
• a: 10.0606 ± 0.0002 Å
• b: 12.4205 ± 0.0002 Å
• c: 19.4302 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2427.95 ± 0.08 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• 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: 0.0668
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No