Information card for entry 1516820

Structure parameters

• Formula: C42 H34 N2 O5 P2 Pd S4
• Calculated formula: C42 H34 N2 O5 P2 Pd S4
• SMILES: [Pd]1(SC2=NS(=O)(=O)c3c2cccc3)(SC2=NS(=O)(=O)c3c2cccc3)[P](CCC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.OC
• Title of publication: Thiosaccharinate binding to palladium(II) and platinum(II): Synthesis and molecular structures of sulfur-bound complexes [M(?1-tsac)2(?2-diphosphane)]
• Authors of publication: Subhi A. Al-Jibori; Mohamed H.S. Al-Jibori; Graeme Hogarth
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 398
• Pages of publication: 117 - 123
• a: 10.9755 ± 0.0005 Å
• b: 11.1596 ± 0.0006 Å
• c: 18.1144 ± 0.0009 Å
• α: 75.397 ± 0.001°
• β: 77.504 ± 0.001°
• γ: 82.693 ± 0.001°
• Cell volume: 2089.95 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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 all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No