Information card for entry 4079074

Structure parameters

• Formula: C17 H25 Br Fe O Si2
• Calculated formula: C17 H25 Br Fe O Si2
• SMILES: [Fe]12345678([c]9([c]1([c]2([cH]3[c]49[Si](C)(C)C)[Si](C)(C)C)C=O)Br)[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: 9.9389 ± 0.0002 Å
• b: 14.2081 ± 0.0002 Å
• c: 15.4979 ± 0.0003 Å
• α: 85.335 ± 0.001°
• β: 72.429 ± 0.001°
• γ: 74.18 ± 0.001°
• Cell volume: 2007.37 ± 0.06 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No