Information card for entry 7049723

Structure parameters

• Formula: C42 H71.5 Mo21 N10.5 O60
• Calculated formula: C41 H63 Mo21 N10 O59
• Title of publication: POM-FLPs: [Mo]_n-polyoxometalate bifunctional catalysis by [Mo]_n-O_m Lewis pairs frustrated by triangular Mo^IV-Mo^IV bonds.
• Authors of publication: Luo, Benlong; Xu, Li
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 20
• Pages of publication: 6892 - 6898
• a: 16.212 ± 0.002 Å
• b: 18.987 ± 0.003 Å
• c: 16.985 ± 0.002 Å
• α: 90°
• β: 91.746 ± 0.003°
• γ: 90°
• Cell volume: 5225.8 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No