Information card for entry 7050186

Structure parameters

• Common name: Bis(2,6-bis(oximomethyl)pyridine)copper(ii) diperchlorate bis- acetone solvate
• 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
• SMILES: [Cu]1234([n]5c(cccc5C=[N]2O)C=[N]1O)[n]1c(cccc1C=[N]4O)C=[N]3O.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O=C(C)C.O=C(C)C
• Title of publication: Temperature dependence of the electronic ground states of two mononuclear, six-coordinate copper(ii) centres
• Authors of publication: Halcrow, Malcolm A.; Kilner, Colin A.; Wolowska, Joanna; McInnes, Eric J. L.; Bridgeman, Adam J.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2004
• Journal volume: 28
• Journal issue: 2
• Pages of publication: 228
• a: 6.9012 ± 0.0002 Å
• b: 13.1087 ± 0.0003 Å
• c: 17.5759 ± 0.0004 Å
• α: 107.264 ± 0.0016°
• β: 94.6164 ± 0.0016°
• γ: 105.298 ± 0.001°
• Cell volume: 1442.65 ± 0.07 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: 0.0457
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No