Information card for entry 7212702

Structure parameters

• Formula: C30 H56 Br2 Cu2 N4
• Calculated formula: C30 H56 Br2 Cu2 N4
• SMILES: c1[n](ccn1CCCCCCCCCCCC)[Cu]([n]1cn(cc1)CCCCCCCCCCCC)[Cu](Br)Br
• 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: 9.002 ± 0.003 Å
• b: 9.454 ± 0.003 Å
• c: 20.757 ± 0.006 Å
• α: 85.74 ± 0.02°
• β: 87.75 ± 0.03°
• γ: 78.95 ± 0.03°
• Cell volume: 1728.4 ± 1 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: 0.1405
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.1996
• Weighted residual factors for all reflections included in the refinement: 0.2386
• 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