Information card for entry 7026151

Structure parameters

• Formula: C40 H39 Cu N4
• Calculated formula: C40 H39 Cu N4
• SMILES: [Cu]12(N(C(=CC(=[N]1Cc1ccccc1)C)C)Cc1ccccc1)[n]1c(ccc3ccc4ccc[n]2c4c13)c1c(cc(cc1C)C)C
• Title of publication: Intramolecular pi-stacking in copper(I) diketiminate phenanthroline complexes.
• Authors of publication: Oguadinma, Paul O.; Rodrigue-Witchel, Alexandre; Reber, Christian; Schaper, Frank
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 37
• Pages of publication: 8759 - 8768
• a: 10.6782 ± 0.0002 Å
• b: 12.4794 ± 0.0002 Å
• c: 12.8241 ± 0.0002 Å
• α: 104.773 ± 0.001°
• β: 92.322 ± 0.001°
• γ: 94.659 ± 0.001°
• Cell volume: 1643.63 ± 0.05 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No