Information card for entry 1515750

Structure parameters

• Formula: C16 H20 Fe Si2
• Calculated formula: C16 H20 Fe Si2
• SMILES: [Fe]123456789[c]%10([cH]4[cH]6[cH]2[cH]8%10)[Si](C#C[Si](C)(C)C)([c]25[cH]3[cH]1[cH]9[cH]72)C
• Title of publication: Organic-metalloblock copolymers via photocontrolled living anionic ring-opening polymerization
• Authors of publication: Chabanne, Laurent; Matas, Inmaculada; Patra, Sanjib K.; Manners, Ian
• Journal of publication: Polymer Chemistry
• Year of publication: 2011
• Journal volume: 2
• Journal issue: 11
• Pages of publication: 2651
• a: 11.043 ± 0.003 Å
• b: 13.2414 ± 0.0015 Å
• c: 13.5068 ± 0.0015 Å
• α: 119.056 ± 0.002°
• β: 94.309 ± 0.002°
• γ: 102.937 ± 0.002°
• Cell volume: 1643 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.034
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0974
• 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