Information card for entry 1565636

Structure parameters

• Formula: C54 H45 Cl2 Cu2 P3
• Calculated formula: C54 H45 Cl2 Cu2 P3
• SMILES: [Cu]1([Cl][Cu]([Cl]1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Fluorescence of copper(I) and mixed valence copper(I/II) complexes with dipicolinic acid and their catalytic activity on catechol oxidation
• Authors of publication: Moschovitis, K.; Banti, C.N.; Kourkoumelis, N.; Moushi, E.E.; Lazarides, T.; Hadjikakou, S.K.
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 500
• Pages of publication: 119209
• a: 18.9026 ± 0.0006 Å
• b: 9.7615 ± 0.0003 Å
• c: 26.2615 ± 0.0009 Å
• α: 90°
• β: 109.512 ± 0.004°
• γ: 90°
• Cell volume: 4567.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No