Information card for entry 1503458

Structure parameters

• Formula: C30 H44 Fe2 O2 Si4
• Calculated formula: C30 H44 Fe2 O2 Si4
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)[Si]1(C)CC[Si](C)(C)O[Si](C)(C)CC[Si](C)([c]23[Fe]49%10%11%12%13%14([cH]2[cH]4[cH]9[cH]3%10)[cH]2[cH]%11[cH]%12[cH]%13[cH]%142)O1)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: Redox-Active Macrocyclic and Linear Oligo-Carbosiloxanes Prepared via Hydrosilylation from 1,3-Divinyl-1,3-Dimethyl-1,3-Diferrocenyldisiloxane
• Authors of publication: Bruña, Sonia; González-Vadillo, Ana M; Nieto, Daniel; Pastor, César J.; Cuadrado, Isabel
• Journal of publication: Macromolecules
• Year of publication: 2012
• Journal volume: 45
• Journal issue: 2
• Pages of publication: 781
• a: 21.9636 ± 0.0011 Å
• b: 12.4959 ± 0.0007 Å
• c: 23.6723 ± 0.0016 Å
• α: 90°
• β: 101.38 ± 0.004°
• γ: 90°
• Cell volume: 6369.2 ± 0.6 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0826
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No