Information card for entry 7212700

Structure parameters

• Formula: C90 H168 Cu6 I6 N12
• Calculated formula: C90 H168 Cu6 I6 N12
• SMILES: [I]12[Cu]3([I]4[Cu]51([I][Cu]45[n]1ccn(c1)CCCCCCCCCCCC)[n]1cn(cc1)CCCCCCCCCCCC)([n]1cn(cc1)CCCCCCCCCCCC)[I]1[Cu]23([I]2[Cu]41([I][Cu]24[n]1cn(cc1)CCCCCCCCCCCC)[n]1cn(cc1)CCCCCCCCCCCC)[n]1cn(cc1)CCCCCCCCCCCC
• Title of publication: Cu(i)/(ii) based catalytic ionic liquids, their metallo-laminate solid state structures and catalytic activities in oxidative methanol carbonylation
• Authors of publication: Stricker, Marion; Linder, Thomas; Oelkers, Benjamin; Sundermeyer, Jörg
• Journal of publication: Green Chemistry
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 9
• Pages of publication: 1589
• a: 9.7553 ± 0.0012 Å
• b: 13.5795 ± 0.0017 Å
• c: 20.6572 ± 0.003 Å
• α: 106.873 ± 0.016°
• β: 94.154 ± 0.016°
• γ: 95.814 ± 0.015°
• Cell volume: 2590.3 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 0.88
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No