Information card for entry 4063772

Structure parameters

• Formula: C12 H20 F6 N2 O8 S2 Si2
• Calculated formula: C12 H20 F6 N2 O8 S2 Si2
• SMILES: C1N2C(=[O][Si]1(C)(C)OS(=O)(=O)C(F)(F)F)CN1C[Si](C)(C)([O]=C1C2)OS(=O)(=O)C(F)(F)F
• Title of publication: Study of Binuclear Silicon Complexes of Diketopiperazine at SN2 Reaction Profile
• Authors of publication: Muhammad, Sohail; Bassindale, Alan R.; Taylor, Peter G.; Male, Louise; Coles, Simon J.; Hursthouse, Michael B.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 3
• Pages of publication: 564
• a: 6.9918 ± 0.0003 Å
• b: 15.4004 ± 0.001 Å
• c: 10.3403 ± 0.0007 Å
• α: 90°
• β: 101.009 ± 0.004°
• γ: 90°
• Cell volume: 1092.92 ± 0.11 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• 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: 0.069
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No