Information card for entry 4067192

Structure parameters

• Formula: C34 H37 Fe P Si2
• Calculated formula: C34 H37 Fe P Si2
• SMILES: [Fe]123456([P](c7ccccc7)(c7ccccc7)c7ccccc7)([Si](c7c([Si]1(C)C)cccc7)(C)C)[cH]1[cH]2[cH]3[cH]4[cH]5[cH]61
• Title of publication: Half-Sandwich (η6-Arene)iron(II) Dinitrogen Complexes Bearing a Disilaferracycle Skeleton as a Precursor for Double Silylation of Ethylene and Alkynes
• Authors of publication: Sunada, Yusuke; Imaoka, Tsuyoshi; Nagashima, Hideo
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 23
• Pages of publication: 6157
• a: 13.396 ± 0.006 Å
• b: 14.794 ± 0.006 Å
• c: 15.21 ± 0.007 Å
• α: 90°
• β: 102.424 ± 0.006°
• γ: 90°
• Cell volume: 2944 ± 2 ų
• Cell temperature: 123.1 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.1997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.466
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No