Information card for entry 7043763

Structure parameters

• Common name: F3C56Cl_oct
• Formula: C44 H42 Fe4 O3 Si2
• Calculated formula: C44 H42 Fe4 O3 Si2
• SMILES: [Fe]12345678([c]9([cH]4[cH]3[cH]2[cH]19)[Si](O[Si]([c]12[Fe]349%10%11%12%13([cH]1[cH]3[cH]4[cH]29)[cH]1[cH]%10[cH]%11[cH]%12[cH]%131)([c]12[cH]3[Fe]49%10%11%12%131([cH]2[cH]4[cH]39)[cH]1[cH]%13[cH]%12[cH]%11[cH]%101)OC=C)([c]12[Fe]349%10%11%12%13([cH]1[cH]3[cH]4[cH]29)[cH]1[cH]%13[cH]%12[cH]%11[cH]%101)OC=C)[cH]1[cH]5[cH]6[cH]7[cH]81
• 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: 12.9028 ± 0.0004 Å
• b: 21.3942 ± 0.0006 Å
• c: 14.7802 ± 0.0004 Å
• α: 90°
• β: 110.413 ± 0.001°
• γ: 90°
• Cell volume: 3823.79 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0351
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No