Information card for entry 1561300

Structure parameters

• Formula: C44 H48 Cu2 N20 O46 P W12
• Calculated formula: C44 H36 Cu2 N20 O46 P W12
• Title of publication: Cu-containing Keggin-type polyoxometalates-based organic-inorganic hybrids with double electro-catalytic behaviors
• Authors of publication: Zhou, Wanli; Zheng, Yanping; Peng, Jun
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2018
• Journal volume: 258
• Pages of publication: 786 - 791
• a: 13.3775 ± 0.0006 Å
• b: 42.058 ± 0.002 Å
• c: 13.6225 ± 0.0007 Å
• α: 90°
• β: 103.198 ± 0.005°
• γ: 90°
• Cell volume: 7462 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1579
• Residual factor for significantly intense reflections: 0.1028
• Weighted residual factors for significantly intense reflections: 0.2061
• Weighted residual factors for all reflections included in the refinement: 0.2301
• 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