Information card for entry 7007987

Structure parameters

• Chemical name: Aquobis(6,6'-dimethyl-2,2'-bipyridine)copper(II) perchlorate
• Formula: C24 H26 Cl2 Cu N4 O9
• Calculated formula: C24 H26 Cl2 Cu N4 O9
• SMILES: [Cu]12([OH2])([n]3c(C)cccc3c3[n]1c(ccc3)C)[n]1c(C)cccc1c1[n]2c(ccc1)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Syntheses, structural analyses and redox kinetics of four-coordinate [CuL2]2+ and five-coordinate [CuL2(solvent)]2+ complexes (L = 6,6'-dimethyl-2,2'-bipyridine or 2,9-dimethyl-1,10-phenanthroline): completely gated reduction reaction of [Cu(dmp)2]2+ in nitromethane.
• Authors of publication: Itoh, Sumitaka; Kishikawa, Nobuyuki; Suzuki, Takayoshi; Takagi, Hideo D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 6
• Pages of publication: 1066 - 1078
• a: 14.007 ± 0.006 Å
• b: 10.951 ± 0.005 Å
• c: 18.099 ± 0.005 Å
• α: 90°
• β: 101.57 ± 0.03°
• γ: 90°
• Cell volume: 2719.8 ± 1.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0829
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.1389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No