Information card for entry 7005568

Structure parameters

• Formula: C32 H53 Br Cu N7 O
• Calculated formula: C32 H53 Br Cu N7 O
• SMILES: Br[Cu]1[n]2c(cccc2CN=C2N(C=CN2C(C)(C)C)C(C)(C)C)C[N]1=C1N(C=CN1C(C)(C)C)C(C)(C)C.O=C(C)C
• Title of publication: Synthesis and reactivity of copper(I) complexes containing a bis(imidazolin-2-imine) pincer ligand.
• Authors of publication: Petrovic, Dejan; Bannenberg, Thomas; Randoll, Sören; Jones, Peter G.; Tamm, Matthias
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 26
• Pages of publication: 2812 - 2822
• a: 10.3778 ± 0.0014 Å
• b: 10.8771 ± 0.0014 Å
• c: 15.85 ± 0.002 Å
• α: 78.792 ± 0.003°
• β: 76.017 ± 0.003°
• γ: 87.24 ± 0.003°
• Cell volume: 1703 ± 0.4 ų
• Cell temperature: 133 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0875
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No