Information card for entry 7132399

Structure parameters

• Formula: C58 H52 Cl4 Cu4 N4 O8
• Calculated formula: C58 H52 Cl4 Cu4 N4 O8
• Title of publication: Deep-red photoluminescent mechanoresponsive polymers with dynamic Cu^I-arylamide mechanophores.
• Authors of publication: Gridneva, Tatiana; Karimata, Ayumu; Bansal, Richa; Fayzullin, Robert R.; Vasylevskyi, Serhii; Bruhacs, Andrew; Khusnutdinova, Julia R.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 60
• Journal issue: 2
• Pages of publication: 212 - 215
• a: 10.2104 ± 0.0002 Å
• b: 10.755 ± 0.0005 Å
• c: 13.3061 ± 0.0006 Å
• α: 70.726 ± 0.004°
• β: 79.185 ± 0.003°
• γ: 79.171 ± 0.003°
• Cell volume: 1342.23 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0345
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No