Information card for entry 4115071

Structure parameters

• Formula: C40 H42 F3 Fe N O3 S Sn
• Calculated formula: C40 H42 F3 Fe N O3 S Sn
• SMILES: [Sn](OS(=O)(=O)C(F)(F)F)([n]1ccccc1)([c]12[cH]3[Fe]4567891([cH]3[cH]4[cH]25)[cH]1[cH]6[cH]7[cH]8[cH]91)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.c1ccccc1
• Title of publication: Nucleophilically Assisted and Cationic Ring-Opening Polymerization of Tin-Bridged [1]Ferrocenophanes
• Authors of publication: Thomas Baumgartner; Frieder Jäkle; Ron Rulkens; Gernot Zech; Alan J. Lough; Ian Manners
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 10062 - 10070
• a: 12.9889 ± 0.0013 Å
• b: 9.9222 ± 0.0011 Å
• c: 28.22 ± 0.0017 Å
• α: 90°
• β: 91.463 ± 0.005°
• γ: 90°
• Cell volume: 3635.8 ± 0.6 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 8
• 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: 0.1774
• Residual factor for significantly intense reflections: 0.0806
• Weighted residual factors for significantly intense reflections: 0.2218
• Weighted residual factors for all reflections included in the refinement: 0.244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No