Information card for entry 4087583

Structure parameters

• Formula: C21 H35 Fe N Si Sn
• Calculated formula: C21 H35 Fe N Si Sn
• SMILES: [Fe]123456789[c]%10(N([Sn]([c]%115[cH]6[cH]7[cH]8[cH]9%11)(C(C)(C)C)C(C)(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: 8.6378 ± 0.0002 Å
• b: 15.67 ± 0.0004 Å
• c: 16.6663 ± 0.0005 Å
• α: 90°
• β: 97.0033 ± 0.0009°
• γ: 90°
• Cell volume: 2239.03 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0349
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.0501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No