Information card for entry 7033825

Structure parameters

• Formula: C164 H469 Fe N40 Ni4 O331 P8 W68
• Calculated formula: C96 Fe N27 Ni4 O290 P8 W68
• Title of publication: Assembly of cyanometalate-functionalized phosphotungstates with magnetic properties and bifunctional electrocatalytic activities.
• Authors of publication: Wang, Ya; Sun, Ming-Hui; Li, Feng-Yan; Sun, Zhi-Xia; Xu, Lin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 10
• Pages of publication: 4504 - 4511
• a: 20.1477 ± 0.0013 Å
• b: 23.7476 ± 0.0015 Å
• c: 26.2977 ± 0.0017 Å
• α: 102.561 ± 0.001°
• β: 91.321 ± 0.001°
• γ: 108.81 ± 0.001°
• Cell volume: 11566.1 ± 1.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.1183
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.153
• Weighted residual factors for all reflections included in the refinement: 0.1657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No