Information card for entry 7708856

Structure parameters

• Formula: C12 H16 F8 Ge O6 P2 S2
• Calculated formula: C12 H16 F8 Ge O6 P2 S2
• SMILES: [Ge]1([P](c2c([P]1(C)C)cccc2)(C)C)(F)(OS(=O)(=O)C(F)(F)F)(F)OS(=O)(=O)C(F)(F)F
• Title of publication: Neutral and cationic germanium(IV) fluoride complexes with phosphine coordination – synthesis, spectroscopy and structures
• Authors of publication: King, Rhys; Levason, William; Reid, Gillian
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 8.49904 ± 0.00014 Å
• b: 15.8315 ± 0.0003 Å
• c: 16.3349 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2197.9 ± 0.08 ų
• Cell temperature: 100.2 ± 0.8 K
• Ambient diffraction temperature: 100.2 ± 0.8 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0685
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1425
• Weighted residual factors for all reflections included in the refinement: 0.1455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No