Information card for entry 4082610

Structure parameters

• Common name: 3,4-diiodo-1-tris(isopropyl)silylpyrrol
• Formula: C13 H23 I2 N Si
• Calculated formula: C13 H23 I2 N Si
• SMILES: Ic1cn([Si](C(C)C)(C(C)C)C(C)C)cc1I
• Title of publication: Electron-Transfer Processes in 3,4-Diferrocenylpyrroles: Insight into a Missing Piece of the Polyferrocenyl-Containing Pyrroles Family
• Authors of publication: Goetsch, Wil R.; Solntsev, Pavlo V.; Van Stappen, Casey; Purchel, Anatolii A.; Dudkin, Semen V.; Nemykin, Victor N.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 1
• Pages of publication: 145
• a: 9.6249 ± 0.0006 Å
• b: 21.767 ± 0.0005 Å
• c: 8.7272 ± 0.0002 Å
• α: 90°
• β: 107.464 ± 0.008°
• γ: 90°
• Cell volume: 1744.12 ± 0.14 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0236
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.0497
• Weighted residual factors for all reflections included in the refinement: 0.0506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No