Information card for entry 7212698

Structure parameters

• Formula: C48 H93 Cl5 Cu2 N6
• Calculated formula: C48 H93 Cl5 Cu2 N6
• SMILES: c1n(cc[n+]1C)CCCCCCCCCCCC.c1n(cc[n+]1C)CCCCCCCCCCCC.c1n(cc[n+]1C)CCCCCCCCCCCC.Cl[Cu]([Cl-])[Cl-].Cl[Cu][Cl-]
• 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: 8.8041 ± 0.0004 Å
• b: 12.5714 ± 0.0005 Å
• c: 25.282 ± 0.0011 Å
• α: 89.005 ± 0.003°
• β: 89.757 ± 0.003°
• γ: 86.052 ± 0.003°
• Cell volume: 2791.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.064
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 0.815
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No