Information card for entry 7125065

Structure parameters

• Formula: C102 H88 Cl0 Cu4 F12 N2 P10
• Calculated formula: C102 H88 Cu4 F12 N2 P10
• Title of publication: A solid state highly emissive Cu(i) metallacycle: promotion of cuprophilic interactions at the excited states.
• Authors of publication: El Sayed Moussa, M.; Evariste, S.; Wong, H.-L.; Le Bras, L.; Roiland, C.; Le Polles, L.; Le Guennic, B.; Costuas, K.; Yam, V. W.-W.; Lescop, C.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 76
• Pages of publication: 11370 - 11373
• a: 13.935 ± 0.003 Å
• b: 20.745 ± 0.005 Å
• c: 19.086 ± 0.004 Å
• α: 90°
• β: 100.55 ± 0.005°
• γ: 90°
• Cell volume: 5424 ± 2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• 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: 0.0755
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1587
• Weighted residual factors for all reflections included in the refinement: 0.1701
• 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: Yes
• Has Fobs: No