Information card for entry 2213196

Structure parameters

• Chemical name: Iodidobis(1,10-phenanthroline)copper(II) perchlorate
• Formula: C24 H16 Cl Cu I N4 O4
• Calculated formula: C24 H16 Cl Cu I N4 O4
• SMILES: c1ccc2ccc3ccc[n]4c3c2[n]1[Cu]14(I)[n]2cccc3ccc4ccc[n]1c4c23.[O-]Cl(=O)(=O)=O
• Title of publication: Iodidobis(1,10-phenanthroline)copper(II) perchlorate
• Authors of publication: Fan Zhang; Xie, Cheng-Zhi; Wang, Xiao-Qing; Shen, Guang-Qiu; Shen, De-Zhong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m1531 - m1531
• a: 16.74 ± 0.003 Å
• b: 11.796 ± 0.002 Å
• c: 12.558 ± 0.003 Å
• α: 90°
• β: 113.3 ± 0.03°
• γ: 90°
• Cell volume: 2277.5 ± 0.9 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1561
• Weighted residual factors for all reflections included in the refinement: 0.1645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes