Information card for entry 7060818

Structure parameters

• Chemical name: trans-bis(N,N-diethyl-N?-(3,4,5-trimethoxybenzoyl)thioureato-S,O)-palladium(II)
• Formula: C30 H42 N4 O8 Pd S2
• Calculated formula: C30 H42 N4 O8 Pd S2
• Title of publication: Photoactive PtII and PdII complexes of N,N-diethyl-N′-3,4,5-trimethoxybenzoylthiourea: synthesis, crystal structures, DFT and cytotoxicity studies
• Authors of publication: Nkabyo, H. A.; Oyenihi, O. R.; Olaoye, O.; Sikiti, P.; Bosman, G. W.; Luckay, R. C.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 32
• Pages of publication: 14703 - 14712
• a: 7.725 ± 0.0005 Å
• b: 8.423 ± 0.0005 Å
• c: 12.846 ± 0.0007 Å
• α: 89.463 ± 0.002°
• β: 85.447 ± 0.002°
• γ: 79.772 ± 0.002°
• Cell volume: 819.97 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0325
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0613
• Weighted residual factors for all reflections included in the refinement: 0.0632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No