Information card for entry 7000537

Structure parameters

• Common name: in paper 3
• Formula: C15 H24 Br2 Cu2 N4
• Calculated formula: C15 H24 Br2 Cu2 N4
• Title of publication: Reversible substrate binding at copper centers in neutral copper(i) carbene complexes derived from bis(3-tert-butylimidazole-2-ylidene)methane
• Authors of publication: Shishkov, Igor V.; Rominger, Frank; Hofmann, Peter
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 8
• Pages of publication: 1428
• a: 24.9319 ± 0.0007 Å
• b: 10.6376 ± 0.0003 Å
• c: 15.3725 ± 0.0004 Å
• α: 90°
• β: 107.806 ± 0.001°
• γ: 90°
• Cell volume: 3881.73 ± 0.19 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.0686
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No