Information card for entry 4065397

Structure parameters

• Formula: C32 H32 Br2 Fe O2 Se2
• Calculated formula: C32 H32 Br2 Fe O2 Se2
• SMILES: [c]12([cH]3[cH]4[Fe]5678923([cH]1[cH]47)[c]1([cH]5[cH]6[cH]8[cH]91)[Se]C(=O)c1c(c(c(Br)c(c1C)C)C)C)[Se]C(=O)c1c(c(c(Br)c(c1C)C)C)C
• Title of publication: Aryl(trimethylsilyl)selenides as Reagents for the Synthesis of Mono- and Diselenoesters
• Authors of publication: Taher, Deeb; Corrigan, John F.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 21
• Pages of publication: 5943
• a: 21.5761 ± 0.0008 Å
• b: 5.6 ± 0.0002 Å
• c: 12.6532 ± 0.0006 Å
• α: 90°
• β: 95.295 ± 0.002°
• γ: 90°
• Cell volume: 1522.31 ± 0.11 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0824
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No