Information card for entry 4310567

Structure parameters

• Formula: C54 H59 N3 O8 Pd3 S
• Calculated formula: C54 H59 N3 O8 Pd3 S
• SMILES: [S]12[Pd]3([O](C(=[O][Pd]42c2cc(ccc2C=[N]4c2ccc(cc2)OCC)OCC)CC)[Pd]21c1cc(ccc1C=[N]2c1ccc(cc1)OCC)OCC)c1cc(ccc1C=[N]3c1ccc(cc1)OCC)OCC
• Title of publication: Formation of Trinuclear Palladium Orthometalated Complexes with Unprecedented Asymmetrical (μ3-S)(μ3-X) Bridges (X = OH, SR, O2CR) from μ2-Hydroxo Dimeric Complexes and CS2
• Authors of publication: Pablo Espinet; Celia Hernández; José M. Martín-Alvarez; Jesús A. Miguel
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 843 - 845
• a: 13.041 ± 0.005 Å
• b: 13.205 ± 0.006 Å
• c: 15.361 ± 0.006 Å
• α: 94.995 ± 0.01°
• β: 91.463 ± 0.009°
• γ: 95.415 ± 0.01°
• Cell volume: 2621.9 ± 1.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1024
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No