Information card for entry 4105145

Structure parameters

• Formula: C60 H70 Fe5 Si5
• Calculated formula: C60 H70 Fe5 Si5
• SMILES: [Fe]123456789[c]%10([Si]([c]%11%12[cH]%13[Fe]%14%15%16%17%18%19%11([c]%11([Si]([c]%20%21[cH]%22[Fe]%23%24%25%26%27%28%20([c]%20([Si]([c]%29%30[cH]%31[Fe]%32%33%34%35%36%37%29([c]%29([cH]%32[cH]%33[cH]%34[cH]%35%29)[Si]([c]%29%32[cH]%33[Fe]%34%35%38%39%40%41%29([c]%29([Si]([c]%425[cH]9[cH]8[cH]7[cH]6%42)(C)C)[cH]%34[cH]%35[cH]%38[cH]%39%29)[cH]%32[cH]%40[cH]%33%41)(C)C)[cH]%31[cH]%36[cH]%30%37)(C)C)[cH]%23[cH]%24[cH]%25[cH]%26%20)[cH]%21[cH]%27[cH]%22%28)(C)C)[cH]%14[cH]%15[cH]%16[cH]%17%11)[cH]%12[cH]%18[cH]%13%19)(C)C)[cH]1[cH]2[cH]3[cH]4%10
• Title of publication: Redox-Active Metallomacrocycles and Cyclic Metallopolymers: Photocontrolled Ring-Opening Oligomerization and Polymerization of Silicon-Bridged [1]Ferrocenophanes Using Substitutionally-Labile Lewis Bases as Initiators
• Authors of publication: David E. Herbert; Joe B. Gilroy; Wing Yan Chan; Laurent Chabanne; Anne Staubitz; Alan J. Lough; Ian Manners
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 14958 - 14968
• a: 12.9003 ± 0.0003 Å
• b: 15.3544 ± 0.0004 Å
• c: 15.9986 ± 0.0003 Å
• α: 69.935 ± 0.013°
• β: 89.91 ± 0.014°
• γ: 69.945 ± 0.013°
• Cell volume: 2771.8 ± 0.4 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No