Information card for entry 7061456

Structure parameters

• Formula: C100 H89 Br Cl5 Cu2 N5 O10 P4
• Calculated formula: C99 H81 Br Cl5 Cu2 N5 O7 P4
• SMILES: Brc1[n]2[Cu]3([P](c4ccccc4)(c4ccccc4)c4cccc5c4Oc4c(C5(C)C)cccc4[P]3(c3ccccc3)c3ccccc3)[n]3c4c(nc3c2ccc1)c1ccc[n]2[Cu]3([P](c5ccccc5)(c5ccccc5)c5cccc6c5Oc5c(C6(C)C)cccc5[P]3(c3ccccc3)c3ccccc3)[n]3cccc4c3c12.Cl(=O)(=O)(=O)[O-].ClCCl.ClCCl.OC
• 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: 13.8873 ± 0.0011 Å
• b: 10.6708 ± 0.0008 Å
• c: 31.655 ± 0.002 Å
• α: 90°
• β: 96.56 ± 0.001°
• γ: 90°
• Cell volume: 4660.2 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No