Information card for entry 2311901

Structure parameters

• Chemical name: Diacetonitrile{η^3^-[4-(dimethylamino)pyridinium-1-yl]cycloheptatrienido}\ palladium(II) bis(tetrafluoroborate)
• Formula: C18 H22 Br2 F8 N4 Pd
• Calculated formula: C18 H22 B1.9995 F7.998 N4 Pd
• Title of publication: A halide-free pyridinium-substituted η³-cycloheptatrienide-Pd complex.
• Authors of publication: Jandl, C.; Stegbauer, S.; Pöthig, A
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 9
• Pages of publication: 754 - 759
• a: 20.361 ± 0.003 Å
• b: 8.9068 ± 0.0011 Å
• c: 24.876 ± 0.003 Å
• α: 90°
• β: 95.035 ± 0.005°
• γ: 90°
• Cell volume: 4493.9 ± 1 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0236
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections included in the refinement: 0.0591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No