Information card for entry 4063773

Structure parameters

• Formula: C10 H20 I2 N2 O2 Si2
• Calculated formula: C10 H20 I2 N2 O2 Si2
• SMILES: C1N2C(=[O][Si]1(C)C)CN1C[Si](C)(C)[O]=C1C2.[I-].[I-]
• 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: 7.3571 ± 0.0002 Å
• b: 9.7865 ± 0.0003 Å
• c: 12.1388 ± 0.0005 Å
• α: 90°
• β: 101.671 ± 0.002°
• γ: 90°
• Cell volume: 855.93 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0286
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0491
• Weighted residual factors for all reflections included in the refinement: 0.0507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No