Information card for entry 4307150

Structure parameters

• Formula: C44 H68 Cu4 N8 O66 Si W12
• Calculated formula: C44 H32 Cu4 N8 O66 Si W12
• Title of publication: Tetrahydroxy-p-benzoquinone as a Source of Polydentate O-Donor Ligands. Synthesis, Crystal Structure, and Magnetic Properties of the [Cu(bpy)(dhmal)]2 Dimer and the Two-Dimensional [{SiW12O40}{Cu2(bpy)2(H2O)(ox)}2].16H2O Inorganic-Metalorganic Hybrid
• Authors of publication: Santiago Reinoso; Pablo Vitoria; Leire San Felices; Ainara Montero; Luis Lezama; Juan M. Gutiérrez-Zorrilla
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 1237 - 1249
• a: 14.44 ± 0.001 Å
• b: 13.423 ± 0.001 Å
• c: 23.497 ± 0.003 Å
• α: 90°
• β: 104.44 ± 0.01°
• γ: 90°
• Cell volume: 4410.5 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2079
• Residual factor for significantly intense reflections: 0.0736
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1323
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No