Information card for entry 1576107

Structure parameters

• Formula: C52 H43 Cu F6 N3 O P3
• Calculated formula: C52 H43 Cu F6 N3 O P3
• Title of publication: Mechanoluminescence from amorphous solids of heteroleptic copper complexes and common luminophores induced by non-destructive mechanical stimuli and fabrication of flexible mechanoluminescent films
• Authors of publication: Karimata, Ayumu; Ilatovskii, Daniil; Fayzullin, Robert R.; Komoto, Shinya; Bruhacs, Andrew; Khaskin, Eugene; Khusnutdinova, Julia R.
• Journal of publication: Chemical Science
• Year of publication: 2025
• a: 10.90096 ± 0.00012 Å
• b: 12.11864 ± 0.00013 Å
• c: 18.7704 ± 0.0002 Å
• α: 105.703 ± 0.0009°
• β: 95.5373 ± 0.0009°
• γ: 105.463 ± 0.001°
• Cell volume: 2262.38 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.17
• Weighted residual factors for all reflections included in the refinement: 0.1702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No