Information card for entry 1513766

Structure parameters

• Formula: C21 H20 Fe Ru Si
• Calculated formula: C21 H20 Fe Ru Si
• SMILES: [Ru]12345678([c]9([cH]4[cH]3[cH]2[cH]19)[Si]1([c]23[Fe]49%10%11%12%13%14([c]%151[cH]%11[cH]4[cH]9[cH]%10%15)[cH]2[cH]%12[cH]%13[cH]3%14)C)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: Polyferrocenylsilane homopolymers and diblock copolymers with pendant ruthenocenyl groups by photocontrolled ring-opening polymerisation
• Authors of publication: Erhard, Maximilian; Lam, Kevin; Haddow, Mairi; Whittell, George R.; Geiger, William E.; Manners, Ian
• Journal of publication: Polymer Chemistry
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 4
• Pages of publication: 1264
• a: 12.4947 ± 0.0004 Å
• b: 8.9461 ± 0.0003 Å
• c: 31.2176 ± 0.0009 Å
• α: 90°
• β: 100.039 ± 0.002°
• γ: 90°
• Cell volume: 3436.04 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0515
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.207
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No