Information card for entry 7114830

Structure parameters

• Formula: C18 H26 Fe Si
• Calculated formula: C18 H26 Fe Si
• SMILES: [Fe]123456789C%10([Si](C)(C)C%115[CH]6=[CH]7C([CH]8=[CH]9%11)(C)C)[CH]1=[CH]2C([CH]3=[CH]4%10)(C)C
• Title of publication: Silicon-bridged bis(cyclohexadienyl) iron complexes: the first structurally characterised [14]ferrocenophaneElectronic supplementary information (ESI) available: experimental details and NMR spectroscopic data. See http://www.rsc.org/suppdata/cc/b1/b107874g/
• Authors of publication: Hascall, Tony; Drewitt, Mark J.; O′Hare, Dermot
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 24
• Pages of publication: 2600
• a: 12.5115 ± 0.0003 Å
• b: 8.2107 ± 0.0002 Å
• c: 16.9607 ± 0.0004 Å
• α: 90°
• β: 103.003 ± 0.001°
• γ: 90°
• Cell volume: 1697.67 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0361
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No