Information card for entry 7026154

Structure parameters

• Formula: C39 H45 Cu N4 O6
• Calculated formula: C39 H45 Cu N4 O6
• SMILES: [Cu]12(N(C(=CC(=[N]1Cc1cc(OC)c(OC)c(OC)c1)C)C)Cc1cc(OC)c(OC)c(OC)c1)[n]1c(ccc3ccc4ccc([n]2c4c13)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: 15.9441 ± 0.0003 Å
• b: 13.4855 ± 0.0003 Å
• c: 16.8628 ± 0.0003 Å
• α: 90°
• β: 101.081 ± 0.001°
• γ: 90°
• Cell volume: 3558.14 ± 0.12 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• 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: 0.041
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No