Information card for entry 7000997

Structure parameters

• Formula: C17 H11 F6 N5 O7 Pd S2
• Calculated formula: C17 H11 F6 N5 O7 Pd S2
• Title of publication: Is bis(trifluoromethylsulfonyl)amide an innocent anion? X-Ray structure data and DFT calculations
• Authors of publication: Illner, Peter; Puchta, Ralph; Heinemann, Frank W.; van Eldik, Rudi
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 15
• Pages of publication: 2795 - 2801
• a: 9.0079 ± 0.0008 Å
• b: 9.6124 ± 0.0002 Å
• c: 13.5373 ± 0.0009 Å
• α: 105.085 ± 0.004°
• β: 94.861 ± 0.007°
• γ: 96.944 ± 0.004°
• Cell volume: 1115.18 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0244
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for significantly intense reflections: 0.0453
• Weighted residual factors for all reflections included in the refinement: 0.047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No