Information card for entry 7000999

Structure parameters

• Formula: C19 H13 F12 N5 O9 Pd S4
• Calculated formula: C19 H13 F12 N5 O9 Pd S4
• 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: 8.4959 ± 0.0008 Å
• b: 12.5011 ± 0.0005 Å
• c: 15.1571 ± 0.0009 Å
• α: 78.007 ± 0.005°
• β: 82.377 ± 0.006°
• γ: 78.266 ± 0.004°
• Cell volume: 1534.88 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0375
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections included in the refinement: 0.0592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No