Information card for entry 4332734

Structure parameters

• Formula: C60 H56 Cu8 N12 Na4 O88 P2 W22
• Calculated formula: C60 H48 Cu7.998 N12 Na4 O88 P2 W22.002
• Title of publication: Hybrid Inorganic−Metalorganic Compounds Containing Copper(II)-Monosubstituted Keggin Polyanions and Polymeric Copper(I) Complexes.
• Authors of publication: San Felices, Leire; Vitoria, Pablo; Gutiérrez-Zorrilla, Juan M.; Lezama, Luis; Reinoso, Santiago
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 19
• Pages of publication: 7748 - 7757
• a: 21.253 ± 0.002 Å
• b: 21.792 ± 0.001 Å
• c: 27.105 ± 0.001 Å
• α: 90°
• β: 101.79 ± 0.006°
• γ: 90°
• Cell volume: 12288.7 ± 1.4 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/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.2097
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1393
• Goodness-of-fit parameter for all reflections included in the refinement: 0.807
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No