Information card for entry 7007989

Structure parameters

• Chemical name: Bis(2,9-dimethylphenanthroline)copper(II) perchlorate nitromethane solvate
• Formula: C30 H30 Cl2 Cu N6 O12
• Calculated formula: C30 H30 Cl2 Cu N6 O12
• SMILES: [Cu]12([n]3c(C)ccc4c3c3[n]1c(ccc3cc4)C)[n]1c(C)ccc3c1c1[n]2c(ccc1cc3)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O=N(=O)C.O=N(=O)C
• 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: 8.456 ± 0.004 Å
• b: 13.476 ± 0.005 Å
• c: 14.73 ± 0.006 Å
• α: 102.72 ± 0.03°
• β: 91.32 ± 0.03°
• γ: 92.46 ± 0.03°
• Cell volume: 1634.9 ± 1.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0834
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1584
• Weighted residual factors for all reflections included in the refinement: 0.1694
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No