Information card for entry 1513767

Structure parameters

• Formula: C10 H9 Br Ru
• Calculated formula: C10 H9 Br Ru
• SMILES: [Ru]12345678([c]9(Br)[cH]1[cH]2[cH]4[cH]39)[cH]1[cH]5[cH]7[cH]8[cH]61
• 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: 7.1295 ± 0.0003 Å
• b: 8.9916 ± 0.0004 Å
• c: 7.2907 ± 0.0003 Å
• α: 90°
• β: 109.503 ± 0.002°
• γ: 90°
• Cell volume: 440.56 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0188
• Residual factor for significantly intense reflections: 0.0165
• Weighted residual factors for significantly intense reflections: 0.0349
• Weighted residual factors for all reflections included in the refinement: 0.0353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No