Information card for entry 4105146

Structure parameters

• Formula: C72 H84 Fe6 Si6
• Calculated formula: C72 H84 Fe6 Si6
• SMILES: [c]123[cH]4[cH]5[cH]6[cH]1[Fe]17892456[c]2([cH]1[cH]7[cH]8[cH]92)[Si]([c]12[cH]4[cH]5[cH]6[cH]1[Fe]17892456[c]2([cH]9[cH]8[cH]7[cH]12)[Si]([c]12[cH]4[cH]5[cH]6[cH]1[Fe]17892456[c]2([cH]1[cH]7[cH]8[cH]92)[Si]([c]12[cH]4[cH]5[cH]6[cH]1[Fe]17892456[c]2([cH]1[cH]7[cH]8[cH]92)[Si]([c]12[cH]4[cH]5[cH]6[cH]1[Fe]17892456[c]2([cH]9[cH]8[cH]7[cH]12)[Si]([c]12[cH]4[cH]5[cH]6[cH]1[Fe]17892456[c]2([cH]1[cH]7[cH]8[cH]92)[Si]3(C)C)(C)C)(C)C)(C)C)(C)C)(C)C
• 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: 9.9248 ± 0.0014 Å
• b: 9.9248 ± 0.0014 Å
• c: 67.014 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6601 ± 1.8 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.1014
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No