Information card for entry 2021823

Structure parameters

• Common name: Bis(tetraphenylarsonium) hexafluoridotechnetate(IV) dihydrate
• Formula: C48 H40 As2 F6 O2 Tc
• Calculated formula: C48 H40 As2 F6 O2 Tc
• SMILES: [Tc](F)(F)(F)(F)([F-])[F-].[As+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[As+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.O.O
• Title of publication: Bis(tetraphenylarsonium) hexafluoridotechnetate(IV) dihydrate: preparation, structure and spectroscopic analysis
• Authors of publication: Balasekaran, Samundeeswari Mariappan; Poineau, Frederic
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 12
• a: 10.043 ± 0.002 Å
• b: 11.036 ± 0.002 Å
• c: 21.159 ± 0.004 Å
• α: 75.991 ± 0.003°
• β: 77.963 ± 0.003°
• γ: 71.388 ± 0.003°
• Cell volume: 2134.3 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0278
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes