Information card for entry 4319958

Structure parameters

• Formula: C40 H24 Cl Cu N4 O4
• Calculated formula: C40 H24 Cl Cu N4 O4
• SMILES: [Cu]12([n]3cccc4ccc5cc6ccc7ccccc7c6[n]1c5c34)[n]1cccc3ccc4cc5ccc6ccccc6c5[n]2c4c13.Cl(=O)(=O)(=O)[O-]
• Title of publication: Crowded Cu(I) Complexes Involving Benzo[h]quinoline: π-Stacking Effects and Long-Lived Excited States
• Authors of publication: Elvira C. Riesgo; Yi-Zhen Hu; Frédéric Bouvier; Randolph P. Thummel; Donald V. Scaltrito; Gerald J. Meyer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 3413 - 3422
• a: 11.195 ± 0.003 Å
• b: 12.439 ± 0.003 Å
• c: 13.072 ± 0.003 Å
• α: 69.12 ± 0.014°
• β: 88.995 ± 0.014°
• γ: 69.676 ± 0.013°
• Cell volume: 1583.1 ± 0.7 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0489
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No