Information card for entry 7003177

Structure parameters

• Formula: C30 H22 Cl2 Cu N6 O12
• Calculated formula: C30 H22 Cl2 Cu N6 O12
• SMILES: c1cccc2c3cccc4c5ccccn5=[O][Cu]56([n]34)([O]=n12)[n]1c(c2ccccn2=[O]5)cccc1c1ccccn1=[O]6.[O-]Cl(=O)(=O)=O.[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: 11.93 ± 0.0003 Å
• b: 11.93 ± 0.0003 Å
• c: 22.554 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3210 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No