Information card for entry 7018142

Structure parameters

• Formula: As4 H130 K20 Mo6 Ni2 O193 S8 W36
• Calculated formula: As4 K12 Mo6 Ni2 O177 S8 W36
• Title of publication: {AsW(9)O(33)}-{Mo(3)S(4)} based polyoxometalates including a metal-metal bond with Pd or Ni. Synthesis, structure and studies in solution.
• Authors of publication: Duval, Sylvain; Marrot, Jérôme; Simonnet-Jégat, Corine; Mbomekallé, Israël Martyr; Sokolov, Maxim; Cadot, Emmanuel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 11
• Pages of publication: 3174 - 3184
• a: 16.3743 ± 0.0005 Å
• b: 18.5255 ± 0.0004 Å
• c: 20.0599 ± 0.0006 Å
• α: 71.55 ± 0.001°
• β: 73.203 ± 0.001°
• γ: 74.788 ± 0.001°
• Cell volume: 5427.2 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.08
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1437
• Weighted residual factors for all reflections included in the refinement: 0.1868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No