Information card for entry 4322366

Structure parameters

• Formula: C21 H31 Cl N6 O4 Pd S2
• Calculated formula: C21 H31 Cl N6 O4 Pd S2
• Title of publication: Palladium(II)-Induced Activation of Carbon-Nitrogen Single Bond of Coordinated N4S Ligand. Characterization of Product with Modified Ligand Structure: Kinetics versus Thermodynamic Considerations
• Authors of publication: Sudeep Bhattacharyya; Timothy J. R. Weakley; Muktimoy Chaudhury
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 5453 - 5456
• a: 8.8449 ± 0.0005 Å
• b: 11.2219 ± 0.0008 Å
• c: 14.466 ± 0.001 Å
• α: 96.818 ± 0.007°
• β: 107.694 ± 0.007°
• γ: 104.52 ± 0.006°
• Cell volume: 1294.32 ± 0.17 ų
• Cell temperature: 293.2 K
• Ambient diffraction temperature: 293 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 significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.038
• Goodness-of-fit parameter for significantly intense reflections: 2.38
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No