Information card for entry 4087581

Structure parameters

• Formula: C15 H23 Fe N Si Sn
• Calculated formula: C15 H23 Fe N Si Sn
• SMILES: [Fe]123456789C%10(N([Sn]([c]%115[cH]6[cH]7[cH]8[cH]9%11)(C)C)[Si](C)(C)C)[CH]1=[CH]2[CH]3=[CH]4%10
• Title of publication: [2]Ferrocenophanes with Nitrogen in Bridging Positions
• Authors of publication: Dey, Subhayan; Quail, J. Wilson; Müller, Jens
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 12
• Pages of publication: 3039
• a: 10.9962 ± 0.0003 Å
• b: 12.7443 ± 0.0004 Å
• c: 13.2851 ± 0.0003 Å
• α: 80.389 ± 0.001°
• β: 80.271 ± 0.001°
• γ: 68.568 ± 0.001°
• Cell volume: 1696.83 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.0569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No