Information card for entry 1513765

Structure parameters

• Formula: C32 H30 Fe2 Ru Si2
• Calculated formula: C32 H30 Fe2 Ru Si2
• SMILES: [Ru]12345678([c]9([Si]%10([c]%11%12[Fe]%13%14%15%16%17%18%19([c]%20%10[cH]%16[cH]%13[cH]%14[cH]%15%20)[cH]%11[cH]%17[cH]%18[cH]%19%12)C)[cH]1[cH]2[cH]3[cH]49)[c]1([Si]2([c]34[Fe]9%10%11%12%13%14%15([c]%162[cH]%12[cH]9[cH]%10[cH]%11%16)[cH]3[cH]%13[cH]%14[cH]4%15)C)[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: 14.3465 ± 0.0004 Å
• b: 14.4684 ± 0.0004 Å
• c: 14.5968 ± 0.0004 Å
• α: 66.44 ± 0.001°
• β: 68.64 ± 0.002°
• γ: 86.12 ± 0.002°
• Cell volume: 2575.74 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0287
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0496
• Weighted residual factors for all reflections included in the refinement: 0.0526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No