Information card for entry 7046599

Structure parameters

• Formula: C21 H49.5 K N3.5 Nd2 O62 P W11
• Calculated formula: C21 H19.5 K N3.5 Nd2 O52 P W11
• Title of publication: Hybrid dimers based on metal-substituted Keggin polyoxometalates (metal = Ti, Ln) for cyanosilylation catalysis.
• Authors of publication: An, Haiyan; Zhang, Yumeng; Hou, Yujiao; Hu, Tao; Yang, Wei; Chang, Shenzhen; Zhang, Jianjun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 27
• Pages of publication: 9079 - 9089
• a: 13.0716 ± 0.0006 Å
• b: 14.3465 ± 0.0007 Å
• c: 21.2358 ± 0.0011 Å
• α: 84.449 ± 0.003°
• β: 89.313 ± 0.003°
• γ: 84.531 ± 0.003°
• Cell volume: 3945.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1144
• Residual factor for significantly intense reflections: 0.0808
• Weighted residual factors for significantly intense reflections: 0.2179
• Weighted residual factors for all reflections included in the refinement: 0.2449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No