Information card for entry 7003179

Structure parameters

• Formula: C15 H17 Cl2 Cu N3 O12
• Calculated formula: C15 H16.5 Cl2 Cu N3 O12
• SMILES: [O]1=n2ccccc2c2[n]3[Cu]1([OH2])([OH2])(OCl(=O)(=O)=O)[n]1c(c3ccc2)cccc1.[O-]Cl(=O)(=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: 10.359 ± 0.004 Å
• b: 13.832 ± 0.006 Å
• c: 15.251 ± 0.004 Å
• α: 74.14 ± 0.03°
• β: 80.58 ± 0.02°
• γ: 78.99 ± 0.02°
• Cell volume: 2048.9 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0495
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No