Information card for entry 7043391

Structure parameters

• Formula: C11 H8 Cl F3 Ge N2 O3 S
• Calculated formula: C11 H8 Cl F3 Ge N2 O3 S
• SMILES: [Ge]1([n]2ccccc2c2[n]1cccc2)Cl.C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: Mono- and Dicationic 2,2’-bipyridine Complexes of Germanium(II) and Tin(II)
• Authors of publication: Gray, Paul; Krause, Katherine; Burford, Neil; Patrick, Brian O.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 7.5779 ± 0.0007 Å
• b: 16.7991 ± 0.0014 Å
• c: 11.0317 ± 0.001 Å
• α: 90°
• β: 93.03 ± 0.003°
• γ: 90°
• Cell volume: 1402.4 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 8
• 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: 0.0441
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No