Information card for entry 2104703

Structure parameters

• Chemical name: Bis[2,6-bis{oximomethyl}pyridine]copper(II) diperchlorate bis-acetone solvate
• Formula: C20 H26 Cl2 Cu N6 O14
• Calculated formula: C20 H26 Cl2 Cu N6 O14
• Title of publication: Change in electronic structure in a six-coordinate copper(II) complex accompanied by an anion order/disorder transition
• Authors of publication: Kilner, Colin A.; Halcrow, Malcolm A.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: 206 - 212
• a: 7.0855 ± 0.0003 Å
• b: 13.1506 ± 0.0005 Å
• c: 17.251 ± 0.0008 Å
• α: 107.936 ± 0.003°
• β: 95.762 ± 0.002°
• γ: 103.432 ± 0.0015°
• Cell volume: 1461.58 ± 0.11 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0822
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1513
• Weighted residual factors for all reflections included in the refinement: 0.1701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes