Information card for entry 7008760

Structure parameters

• Formula: C40 H52 Cu2 N8 O50 Si W12
• Calculated formula: C40 H32 Cu2 N8 O42 Si W12
• SMILES: [W]1234(=O)O[W]567(O[W]89%10(=O)O[W]%11%12%13(=O)O[W]%14%15(=O)(O[W]%16%17%18(=O)O[W]%19%20(=O)(O[W]%21(O%11)(=O)(O[W]%11%22(=O)(O%12)O[W]%12(=O)(O[W](=O)(O%11)(O3)(O%20)[O]%22%12[Si]([O]15[W](=O)(O%16)(O6)(O2)O%14)([O]%17%19%21)[O]%10%13%15)(O7)O8)O%18)O4)O9)=O.[Cu]12([n]3ccccc3c3[n]1cccc3)[n]1ccccc1c1[n]2cccc1.[Cu]12([n]3ccccc3c3[n]1cccc3)[n]1ccccc1c1[n]2cccc1.O.O
• Title of publication: Molecular and multidimensional polyoxotungstates functionalized by {Cu(bpy)}2+ groups.
• Authors of publication: Lisnard, Laurent; Dolbecq, Anne; Mialane, Pierre; Marrot, Jérôme; Codjovi, Epiphane; Sécheresse, Francis
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 24
• Pages of publication: 3913 - 3920
• a: 17.156 ± 0.0003 Å
• b: 18.3999 ± 0.0003 Å
• c: 20.7284 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6543.31 ± 0.18 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0834
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1419
• Weighted residual factors for all reflections included in the refinement: 0.1609
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No