Information card for entry 4105147

Structure parameters

• Formula: C84 H98 Fe7 Si7
• Calculated formula: C84 H98 Fe7 Si7
• SMILES: [Fe]123456789[c]%10([Si]([c]%11%12[cH]%13[Fe]%14%15%16%17%18%19%11([cH]%12[cH]%14[cH]%13%15)[c]%11([cH]%16[cH]%17[cH]%18[cH]%19%11)[Si]([c]%11%12[Fe]%13%14%15%16%17%18%19([cH]%11[cH]%13[cH]%14[cH]%12%15)[c]%11([cH]%16[cH]%17[cH]%18[cH]%19%11)[Si]([c]%11%12[cH]%13[Fe]%14%15%16%17%18%19%11([cH]%12[cH]%14[cH]%13%15)[c]%11([cH]%19[cH]%18[cH]%17[cH]%16%11)[Si]([c]%11%12[cH]%13[Fe]%14%15%16%17%18%19%11([cH]%13[cH]%14[cH]%12%15)[c]%11([cH]%19[cH]%18[cH]%17[cH]%16%11)[Si]([c]%11%12[Fe]%13%14%15%16%17%18%19([cH]%11[cH]%13[cH]%14[cH]%12%15)[c]%11([cH]%19[cH]%18[cH]%17[cH]%16%11)[Si]([c]%11%12[cH]%13[Fe]%14%15%16%17%18%19%11([cH]%13[cH]%14[cH]%12%15)[c]%11([cH]%19[cH]%18[cH]%17[cH]%16%11)[Si]([c]%115[cH]6[cH]7[cH]8[cH]9%11)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(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: 13.3855 ± 0.0003 Å
• b: 13.7448 ± 0.0002 Å
• c: 27.3253 ± 0.0007 Å
• α: 94.058 ± 0.0013°
• β: 98.887 ± 0.001°
• γ: 113.06 ± 0.0012°
• Cell volume: 4522.19 ± 0.17 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: 0.0774
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1438
• Weighted residual factors for all reflections included in the refinement: 0.1543
• 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