Information card for entry 2220573

Structure parameters

• Chemical name: Chloridobis(2,9-diethoxy-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) perchlorate
• Formula: C32 H32 Cl2 Cu N4 O8
• Calculated formula: C32 H32 Cl2 Cu N4 O8
• SMILES: [Cu]12(Cl)([n]3c(OCC)ccc4ccc5ccc(OCC)[n]1c5c34)[n]1c(OCC)ccc3ccc4ccc(OCC)[n]2c4c13.Cl(=O)(=O)(=O)[O-]
• Title of publication: Chloridobis(2,9-diethoxy-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) perchlorate
• Authors of publication: Wan, Xin-Sheng; Meng, Lei; Feng, Chao-Ling; Kou, Chun-Hong; Niu, Cao-Yuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: m50
• a: 9.7461 ± 0.0013 Å
• b: 23.953 ± 0.003 Å
• c: 13.9777 ± 0.0018 Å
• α: 90°
• β: 91.837 ± 0.002°
• γ: 90°
• Cell volume: 3261.4 ± 0.7 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• 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: 0.13
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1771
• Weighted residual factors for all reflections included in the refinement: 0.216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes