Information card for entry 7047341

Structure parameters

• Formula: C18 H58 As2 K8 N6 Ni4 O93 P6 W12
• Calculated formula: C18 H24 As2 K8 N6 Ni4 O93 P6 W12
• Title of publication: Polyoxotungstates incorporated organophosphonate and nickel: synthesis, characterization and efficient catalysis for epoxidation of allylic alcohols.
• Authors of publication: Xu, Qiaofei; Li, Yingguang; Ban, Ran; Li, Zhao; Han, Xiao; Ma, Pengtao; Singh, Vikram; Wang, Jingping; Niu, Jingyang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 38
• Pages of publication: 13479 - 13486
• a: 23.181 ± 0.006 Å
• b: 18.465 ± 0.005 Å
• c: 34.868 ± 0.012 Å
• α: 90°
• β: 105.887 ± 0.005°
• γ: 90°
• Cell volume: 14355 ± 7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 9
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1275
• Residual factor for significantly intense reflections: 0.0882
• Weighted residual factors for significantly intense reflections: 0.2422
• Weighted residual factors for all reflections included in the refinement: 0.2776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No