Information card for entry 7046600

Structure parameters

• Formula: C18 H45 Ce2 N3 O59.5 P W11
• Calculated formula: C18 H29 Ce2 N3 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: 13.0263 ± 0.0013 Å
• b: 14.3304 ± 0.0014 Å
• c: 21.41 ± 0.002 Å
• α: 96.253 ± 0.002°
• β: 91.877 ± 0.002°
• γ: 95.276 ± 0.002°
• Cell volume: 3952.3 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No