Information card for entry 2203281

Structure parameters

• Chemical name: chlorobis(1,10-phenanthroline)copper(II) dichlorocuprate(I)
• Formula: C24 H16 Cl3 Cu2 N4
• Calculated formula: C24 H16 Cl3 Cu2 N4
• SMILES: c1ccc2c3c4c(ccc[n]4[Cu]4([n]13)([n]1cccc3c1c1[n]4cccc1cc3)Cl)cc2.Cl[Cu][Cl-]
• Title of publication: A new mixed-valence Cu^II^/Cu^I^ complex: chlorobis(1,10-phenanthroline)copper(II) dichlorocuprate(I)
• Authors of publication: Yang, Hong-Fang; Huang, Chang-Cang; Zhang, Han-Hui; Liu, Yongxiu; Lian, Zhao-Xun; Xiao,Guang-Can
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 3
• Pages of publication: m291 - m293
• a: 14.4063 ± 0.0005 Å
• b: 12.6196 ± 0.0006 Å
• c: 13.34 ± 0.0005 Å
• α: 90°
• β: 111.48 ± 0.003°
• γ: 90°
• Cell volume: 2256.79 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes