Information card for entry 4077317

Structure parameters

• Formula: C46 H48 Fe4 N2
• Calculated formula: C46 H48 Fe4 N2
• SMILES: N(C[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]8[cH]7[cH]6[cH]12)(CCN(C[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]8[cH]7[cH]6[cH]12)C[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)C[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82
• Title of publication: Redox Potential Selection in a New Class of Dendrimers Containing Multiple Ferrocene Centers
• Authors of publication: Alvarez, Julio; Ren, Tong; Kaifer, Angel E.
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 16
• Pages of publication: 3543
• a: 7.601 ± 0.0008 Å
• b: 10.8409 ± 0.0011 Å
• c: 13.0416 ± 0.0014 Å
• α: 65.856 ± 0.002°
• β: 82.467 ± 0.002°
• γ: 88.612 ± 0.002°
• Cell volume: 971.66 ± 0.18 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 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: 0.0386
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0718
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 0.915
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No