Information card for entry 7043766

Structure parameters

• Common name: C5
• Formula: C28 H34 Fe2 Si
• Calculated formula: C28 H34 Fe2 Si
• SMILES: [c]12([cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)[Si]([c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)(C=C)CCC(C)(C)C
• Title of publication: Formation of Unexpected Silicon- and Disiloxane-Bridged Multiferrocenyl Derivatives Bearing Si-O-CH=CH2 and Si-(CH2)2C(CH3)3 Substituents via Cleavage of Tetrahydrofuran and Trapping of its Ring Fragments
• Authors of publication: Bruña, Sonia; Gonzalez Vadillo, Ana Maria; Ferrández, Marta; Perles, Josefina; Montero-Campillo, M. Merced; Otilia, Mó; CUADRADO, ISABEL
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 12.7847 ± 0.0004 Å
• b: 15.1066 ± 0.0004 Å
• c: 15.2614 ± 0.0005 Å
• α: 96.779 ± 0.001°
• β: 108.237 ± 0.002°
• γ: 111.313 ± 0.001°
• Cell volume: 2516.9 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1401
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No