Information card for entry 7027745

Structure parameters

• Formula: C42 H49 N12 O Pd4 S4
• Calculated formula: C42 H49 N12 O Pd4 S4
• Title of publication: Formation, characterization, and structural studies of novel thiosemicarbazone palladium(II) complexes. Crystal structures of [{Pd[C6H4C(Et)NNC(S)NH2]}4], [Pd{C6H4C(Et)NN C(S)NH2}(PMePh2)] and [{Pd[C6H4C(Et)NNC(S)NH2]}2(μ-Ph2PCH2PPh2)]
• Authors of publication: Vila, José M.; Pereira, Ma Teresa; Ortigueira, Juan M.; Graña, María; Lata, Darío; Suárez, Antonio; Fernández, Jesús J.; Fernández, Alberto; López-Torres, Margarita; Adams, Harry
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 23
• Pages of publication: 4193
• a: 12.0858 ± 0.0002 Å
• b: 30.0403 ± 0.0003 Å
• c: 17.695 ± 0.0003 Å
• α: 90°
• β: 108.709 ± 0.0006°
• γ: 90°
• Cell volume: 6084.9 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0728
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1561
• Weighted residual factors for all reflections included in the refinement: 0.1622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No