Information card for entry 1561299

Structure parameters

• Formula: C44 H40 Cu4 Mo12 N20 O42 P
• Calculated formula: C44 H36 Cu4 Mo12 N20 O42 P
• 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: 10.968 ± 0.005 Å
• b: 13.855 ± 0.005 Å
• c: 14.531 ± 0.005 Å
• α: 109.786 ± 0.005°
• β: 107.707 ± 0.005°
• γ: 102.402 ± 0.005°
• Cell volume: 1850.8 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0802
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.1449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No