Information card for entry 4066074

Structure parameters

• Formula: C44 H42 Fe4 O Si2
• Calculated formula: C44 H42 Fe4 O Si2
• SMILES: C(=C)[Si]([c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)(O[Si](C=C)([c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]8[cH]7[cH]6[cH]12)[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]8[cH]7[cH]6[cH]12
• 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: 8.432 ± 0.0011 Å
• b: 9.9481 ± 0.0013 Å
• c: 11.992 ± 0.0014 Å
• α: 109.368 ± 0.005°
• β: 105.461 ± 0.005°
• γ: 94.265 ± 0.007°
• Cell volume: 899.9 ± 0.2 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: 0.0277
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.0627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No