Information card for entry 7132401

Structure parameters

• Formula: C34 H42 Cu N5
• Calculated formula: C34 H42 Cu N5
• SMILES: [Cu]12([n]3c4C[N]2(Cc2[n]1c(ccc2)CN(Cc3ccc4)C(C)(C)C)C(C)(C)C)N(c1ccccc1)c1ccccc1
• 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: 15.10177 ± 0.00005 Å
• b: 19.65119 ± 0.00007 Å
• c: 20.19471 ± 0.00009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5993.14 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No