Information card for entry 2200770

Structure parameters

• Formula: C45 H38 Br2 Cu2 N10 O4
• Calculated formula: C45 H38 Br2 Cu2 N10 O4
• SMILES: [Cu]12([n]3ccccc3c3cccc[n]13)([n]1ccccc1c1cccc[n]21)OC(=O)O[Cu]12([n]3ccccc3c3cccc[n]13)[n]1ccccc1c1cccc[n]21.[Br-].[Br-].CC#N.N#CC.O
• Title of publication: The unexpected fixation of CO~2~ employing a Cu^I^Br(bpy)~2~ complex
• Authors of publication: Guido Kickelbick
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 10
• Pages of publication: m475 - m477
• a: 11.0977 ± 0.0002 Å
• b: 23.7744 ± 0.0002 Å
• c: 17.1024 ± 0.0001 Å
• α: 90°
• β: 94.347 ± 0.001°
• γ: 90°
• Cell volume: 4499.34 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes