Information card for entry 7061454

Structure parameters

• Formula: C94 H74 Br Cl10 Cu2 N5 O10 P4
• Calculated formula: C91 H68 Br Cl4 Cu2 N5 O10 P4
• SMILES: [Cu]12([P](c3ccccc3)(c3ccccc3)c3ccccc3Oc3ccccc3[P]1(c1ccccc1)c1ccccc1)[n]1cccc3c4[nH]c5[n]([Cu]6([P](c7ccccc7)(c7ccccc7)c7ccccc7Oc7ccccc7[P]6(c6ccccc6)c6ccccc6)[n]6c5cccc6Br)c4c4ccc[n]2c4c13.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].ClCCl
• Title of publication: Photophysical properties of homobimetallic Cu(i)–Cu(i) and heterobimetallic Cu(i)–Ag(i) complexes of 2-(6-bromo-2-pyridyl)-1H-imidazo[4,5-f][1,10]phenanthroline
• Authors of publication: Wu, Zhan; Cui, Shu; Zhao, Zhenqin; He, Bingling; Li, Xiu-Ling
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 18
• Pages of publication: 8881 - 8891
• a: 15.5719 ± 0.0015 Å
• b: 15.9403 ± 0.0015 Å
• c: 20.762 ± 0.002 Å
• α: 82.039 ± 0.001°
• β: 70.386 ± 0.001°
• γ: 83.299 ± 0.001°
• Cell volume: 4794.1 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No