Information card for entry 7010019

Structure parameters

• Chemical name: Bis-[1,3-di{pyridin-2-yl}pyrazole]copper(II) diperchlorate
• Formula: C26 H20 Cl2 Cu N8 O8
• Calculated formula: C28 H20 Cl2 Cu N6 O8
• Title of publication: Copper complexes of 2,6-bis(iminomethyl)pyridine derivatives and of 1,3-bis(pyridin-2-yl)pyrazole. Effects of ligand bulk and conformational strain on the ground state of a six-co-ordinate copper(II) ion
• Authors of publication: Holland, Joanne M.; Liu, Xiaoming; Zhao, Jing P.; Mabbs, Frank E.; Kilner, Colin A.; Thornton-Pett, Mark; Halcrow, Malcolm A.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 19
• Pages of publication: 3316
• a: 8.7526 ± 0.0019 Å
• b: 8.7892 ± 0.0019 Å
• c: 19.381 ± 0.005 Å
• α: 90°
• β: 92.334 ± 0.014°
• γ: 90°
• Cell volume: 1489.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1249
• Residual factor for significantly intense reflections: 0.0892
• Weighted residual factors for significantly intense reflections: 0.2276
• Weighted residual factors for all reflections included in the refinement: 0.2601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No