Information card for entry 4088908

Structure parameters

• Common name: 10
• Formula: C58 H81 Fe4 N O7 Si2
• Calculated formula: C58 H81 Fe4 N O7 Si2
• SMILES: [Fe]12345678([c]9([cH]4[cH]3[cH]2[cH]19)[Si](O)(O[Si](O)([c]12[cH]3[Fe]49%10%11%12%131([cH]2[cH]4[cH]39)[cH]1[cH]%10[cH]%11[cH]%12[cH]%131)[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)[c]12[cH]3[Fe]49%10%11%12%131([cH]3[cH]4[cH]29)[cH]1[cH]%13[cH]%12[cH]%11[cH]%101)[cH]1[cH]5[cH]6[cH]7[cH]81.[O-]C(=O)C.[N+](CCCC)(CCCC)(CCCC)CCCC.O.O
• Title of publication: Multi-Ferrocene-Containing Silanols as Redox-Active Anion Receptors
• Authors of publication: Bruña, Sonia; Garrido-Castro, Alberto F.; Perles, Josefina; Montero-Campillo, M. Merced; Mó, Otilia; Kaifer, Angel E.; Cuadrado, Isabel
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 20
• Pages of publication: 3507
• a: 11.971 ± 0.0005 Å
• b: 27.1101 ± 0.0008 Å
• c: 17.4211 ± 0.0006 Å
• α: 90°
• β: 90.835 ± 0.002°
• γ: 90°
• Cell volume: 5653.2 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• 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: 0.0829
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No