Information card for entry 2201114

Structure parameters

• Chemical name: (4-tert-butyl-2-methylthiosemicarbazido)(O-methyldithiophosphato)palladium(II)
• Formula: C7 H17 N3 O2 P Pd S3
• Calculated formula: C7 H17 N3 O2 P Pd S3
• SMILES: [Pd]12(SP(=O)(S1)OC)SC(NC(C)(C)C)N(N2)C
• Title of publication: (4-<i>tert</i>-Butyl-2-methylthiosemicarbazido)(<i>O</i>-methyldithiophosphato)palladium(II)
• Authors of publication: Janča, Michal; Taraba, Jan; Příhoda, Jiří
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 6
• Pages of publication: m245 - m247
• a: 12.889 ± 0.003 Å
• b: 10.854 ± 0.002 Å
• c: 11.12 ± 0.002 Å
• α: 90°
• β: 105.23 ± 0.03°
• γ: 90°
• Cell volume: 1501 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.08
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes