Information card for entry 7061457

Structure parameters

• Formula: C100 H81 Ag Br Cl9 Cu N5 O6 P4
• Calculated formula: C96 H73 Ag Br Cl Cu N5 O6 P4
• SMILES: [Ag]12([P](c3ccccc3)(c3ccccc3)c3cccc4c3Oc3c(C4(C)C)cccc3[P]1(c1ccccc1)c1ccccc1)[n]1c3c(nc1c1[n]2c(ccc1)Br)c1ccc[n]2[Cu]4([P](c5ccccc5)(c5ccccc5)c5c6Oc7c(C(c6ccc5)(C)C)cccc7[P]4(c4ccccc4)c4ccccc4)[n]4cccc3c4c12.Cl(=O)(=O)(=O)[O-]
• 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: 18.887 ± 0.004 Å
• b: 18.8 ± 0.004 Å
• c: 27.414 ± 0.006 Å
• α: 90°
• β: 100.064 ± 0.003°
• γ: 90°
• Cell volume: 9584 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0714
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No