Information card for entry 4331643

Structure parameters

• Formula: C56 H130 Cu6 K8 N8 O129 Si2 W22
• Calculated formula: C56 H44 Cu6.002 N8 O89 Si2 W21.998
• 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: 47 ± 0.002 Å
• b: 12.7895 ± 0.0008 Å
• c: 26.3943 ± 0.0009 Å
• α: 90°
• β: 90.27 ± 0.003°
• γ: 90°
• Cell volume: 15865.6 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.07
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No