Information card for entry 2001904

Structure parameters

• Chemical name: Potassium Theobrominium Tetrakis(thiocyanato)palladate(II) Monohydrate
• Formula: C11 H11 K N8 O3 Pd S4
• Calculated formula: C11 H9 K N8 O3 Pd S4
• Title of publication: Structure of potassium theobrominium tetrakis(thiocyanato)palladate(II) monohydrate
• Authors of publication: Giraldi, T.; Taylor, M. R.; Moreno-Vida, M. I.; Ruiz-Sanchez, J.; Salas-Peregrín, J. M.; Colacio, E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 3
• Pages of publication: 580 - 582
• a: 15.172 ± 0.002 Å
• b: 7.173 ± 0.0008 Å
• c: 18.619 ± 0.001 Å
• α: 90°
• β: 95.98 ± 0.007°
• γ: 90°
• Cell volume: 2015.3 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for all reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.029
• Goodness-of-fit parameter for all reflections: 1.735
• Goodness-of-fit parameter for significantly intense reflections: 1.763
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No