Information card for entry 4331642

Structure parameters

• Formula: C28 H54 Cu3 K4 N4 O59 Si W11
• Calculated formula: C28 H22 Cu3 K4 N4 O59 Si W11
• Title of publication: Analysis of Weak Interactions in the Crystal Packing of Inorganic Metalorganic Hybrids Based on Keggin Polyoxometalates and Dinuclear Copper(II)−Acetate Complexes
• Authors of publication: Reinoso, Santiago; Vitoria, Pablo; Felices, Leire San; Lezama, Luis; Gutiérrez-Zorrilla, Juan M.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 1
• Pages of publication: 108 - 118
• a: 22.128 ± 0.002 Å
• b: 12.524 ± 0.002 Å
• c: 26.66 ± 0.002 Å
• α: 90°
• β: 91.617 ± 0.007°
• γ: 90°
• Cell volume: 7385.4 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1832
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 0.776
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No