Information card for entry 4307857

Structure parameters

• Formula: C104 H148 Cu10 N20 O128 Si2 W22
• Calculated formula: C104 H64 Cu10 N20 O128 Si2 W22
• Title of publication: Coexistence of Five Different Copper(II)-Phenanthroline Species in the Crystal Packing of Inorganic-Metalorganic Hybrids Based on Keggin Polyoxometalates and Copper(II)-Phenanthroline-Oxalate Complexes
• Authors of publication: Santiago Reinoso; Pablo Vitoria; Juan M. Gutiérrez-Zorrilla; Luis Lezama; Juan M. Madariaga; Leire San Felices; Amaia Iturrospe
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 4010 - 4021
• a: 13.1529 ± 0.0003 Å
• b: 16.9438 ± 0.0003 Å
• c: 23.02 ± 0.0005 Å
• α: 71.256 ± 0.002°
• β: 86.863 ± 0.002°
• γ: 71.429 ± 0.002°
• Cell volume: 4598.7 ± 0.19 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0933
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No