Information card for entry 7708862

Structure parameters

• Formula: C7 H18 F6 Ge O3 P2 S
• Calculated formula: C7 H18 F6 Ge O3 P2 S
• SMILES: [Ge]([P](C)(C)C)([P](C)(C)C)(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: 11.3324 ± 0.0001 Å
• b: 11.7241 ± 0.0001 Å
• c: 23.5687 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3131.39 ± 0.06 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0265
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for significantly intense reflections: 0.0486
• Weighted residual factors for all reflections included in the refinement: 0.0502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No