Information card for entry 7020434

Structure parameters

• Formula: C9 H20 Br Ge N2 O2.5 S2
• Calculated formula: C9 H20 Br Ge N2 O2.5 S2
• SMILES: C1(CS[Ge]2(C)([O]=1)[O]=C(C[S]2)N(C)C)N(C)C.[Br-].O
• 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: 25.097 ± 0.0013 Å
• b: 8.081 ± 0.0004 Å
• c: 19.9782 ± 0.0011 Å
• α: 90°
• β: 128.889 ± 0.001°
• γ: 90°
• Cell volume: 3153.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0602
• Weighted residual factors for all reflections included in the refinement: 0.0643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No