Information card for entry 7004936

Structure parameters

• Formula: C56 H130 O61 Pd2 S16 W6
• Calculated formula: C56 H92 O61 Pd2 S16 W6
• Title of publication: Synthesis, structure and reactivity of cuboidal-type cluster aqua complexes with W3PdS4 4+ core.
• Authors of publication: Hernández Molina, Rita; Kalinina, Irina; Sokolov, Maxim; Clausen, Maria; González Platas, Javier; Vicent, Cristian; Llusar, Rosa
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 5
• Pages of publication: 550 - 557
• a: 11.739 ± 0.001 Å
• b: 14.836 ± 0.001 Å
• c: 33.41 ± 0.002 Å
• α: 98.463 ± 0.01°
• β: 100.082 ± 0.01°
• γ: 101.608 ± 0.01°
• Cell volume: 5510.4 ± 0.8 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.1377
• Residual factor for significantly intense reflections: 0.0767
• Weighted residual factors for significantly intense reflections: 0.1897
• Weighted residual factors for all reflections included in the refinement: 0.2181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.187
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No