Information card for entry 7123335

Structure parameters

• Formula: H52 Mo18 N6 O76 P2
• Calculated formula: Mo18 N6 O72.9 P2
• Title of publication: Synthesis of Polyoxometalate Clusters using Carbohydrates as Reducing Agents Leads to Isomer-Selection
• Authors of publication: Cronin, Lee; Janusson, Eric; Kler, Noel; Vila-Nadal, Laia; Long, Deliang
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 12.7233 ± 0.0009 Å
• b: 14.4286 ± 0.001 Å
• c: 19.8131 ± 0.0014 Å
• α: 101.443 ± 0.004°
• β: 98.5 ± 0.004°
• γ: 114.254 ± 0.004°
• Cell volume: 3141.5 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No