Information card for entry 7019051

Structure parameters

• Formula: C20 H18 Fe O2 Si
• Calculated formula: C20 H18 Fe O2 Si
• SMILES: [Fe]1234([Si](C)(c5ccccc5)c5ccccc5)(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[cH]45
• Title of publication: The inverse sandwich complex [(K(18-crown-6))(2)Cp][CpFe(CO)(2)] - unpredictable redox reactions of [CpFe(CO)(2)]I with the silanides Na[SiRtBu(2)] (R = Me, tBu) and the isoelectronic phosphanyl borohydride K[PtBu(2)BH(3)].
• Authors of publication: Sänger, Inge; Kückmann, Theresa I; Dornhaus, Franz; Bolte, Michael; Wagner, Matthias; Lerner, Hans-Wolfram
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 22
• Pages of publication: 6671 - 6676
• a: 15.2447 ± 0.0012 Å
• b: 7.7411 ± 0.0007 Å
• c: 45.632 ± 0.004 Å
• α: 90°
• β: 91.899 ± 0.006°
• γ: 90°
• Cell volume: 5382.1 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.2237
• Residual factor for significantly intense reflections: 0.1613
• Weighted residual factors for significantly intense reflections: 0.3508
• Weighted residual factors for all reflections included in the refinement: 0.3785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No