Information card for entry 7003176

Structure parameters

• Formula: C31 H26 Cl2 Cu N6 O11
• Calculated formula: C31 H26 Cl2 Cu N6 O11
• SMILES: [Cu]1234([O]=n5ccccc5c5[n]1c(ccc5)c1[n]2cccc1)[O]=n1ccccc1c1[n]3c(ccc1)c1[n]4cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].OC
• Title of publication: The synthesis and structure of terpyridine-N-oxide complexes of copper(ii) perchlorate
• Authors of publication: Amoroso, Angelo J.; Burrows, Miles W.; Coles, Simon J.; Haigh, Robert; Farley, Robert D.; Hursthouse, Michael B.; Jones, Mark; Malik, K. M. Abdul; Murphy, Damien M.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 4
• Pages of publication: 506 - 513
• a: 6.9303 ± 0.0002 Å
• b: 12.0952 ± 0.0003 Å
• c: 38.247 ± 0.0011 Å
• α: 90°
• β: 92.4265 ± 0.0009°
• γ: 90°
• Cell volume: 3203.12 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0869
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No