Information card for entry 4066073

Structure parameters

• Formula: C32 H30 Fe3 Si
• Calculated formula: C32 H30 Fe3 Si
• SMILES: [Si](C=C)([c]12[cH]3[Fe]4567891([cH]3[cH]4[cH]25)[cH]1[cH]9[cH]8[cH]7[cH]61)([c]12[cH]3[Fe]4567891([cH]3[cH]4[cH]25)[cH]1[cH]9[cH]8[cH]7[cH]61)[c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[cH]1[cH]6[cH]7[cH]8[cH]91
• Title of publication: Vinyl-Functionalized Silanes and Disiloxanes with Electronically Communicated Ferrocenyl Units†
• Authors of publication: Bruña, Sonia; González-Vadillo, Ana M; Nieto, Daniel; Pastor, César; Cuadrado, Isabel
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 12
• Pages of publication: 2796
• a: 7.704 ± 0.003 Å
• b: 16.295 ± 0.005 Å
• c: 20.126 ± 0.006 Å
• α: 90°
• β: 99.551 ± 0.008°
• γ: 90°
• Cell volume: 2491.5 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0493
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No