Information card for entry 7020433

Structure parameters

• Formula: C9 H19 Cl N2 O2 S2 Si
• Calculated formula: C9 H19 Cl N2 O2 S2 Si
• SMILES: [Cl-].S1[Si]2(SCC(=[O]2)N(C)C)([O]=C(N(C)C)C1)C
• Title of publication: Cationic complexes of silicon and germanium with (O,S)-chelate ligands.
• Authors of publication: Kalashnikova, Natalia A.; Bylikin, Sergey Yu; Korlyukov, Aleksander A.; Shipov, Aleksander G.; Baukov, Yuri I.; Taylor, Peter G.; Bassindale, Alan R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 41
• Pages of publication: 12681 - 12682
• a: 7.9299 ± 0.0004 Å
• b: 9.382 ± 0.0005 Å
• c: 9.999 ± 0.0005 Å
• α: 90°
• β: 91.489 ± 0.001°
• γ: 90°
• Cell volume: 743.66 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0643
• Weighted residual factors for all reflections included in the refinement: 0.0649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No