Information card for entry 7003180

Structure parameters

• Formula: C15 H13 Cl2 Cu N3 O11
• Calculated formula: C15 H13 Cl2 Cu N3 O11
• SMILES: c1cccc2c3cccc4c5ccccn5=[O][Cu]([n]34)([O]=n12)(OCl(=O)(=O)=O)[OH2].[O-]Cl(=O)(=O)=O
• 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: 10.354 ± 0.002 Å
• b: 16.323 ± 0.003 Å
• c: 11.593 ± 0.002 Å
• α: 90°
• β: 107.57 ± 0.03°
• γ: 90°
• Cell volume: 1867.9 ± 0.7 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0759
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No