Information card for entry 2014000

Structure parameters

• Chemical name: (4,4,12,12-Tetramethyl-5,8,11-triazapenta-2,14-dione 2-oxime 14-oximato-κ^5^N)copper(II) perchlorate
• Formula: C16 H34 Cl Cu N5 O6
• Calculated formula: C16 H34 Cl Cu N5 O6
• SMILES: [Cu]1234[N]([O][H]5)=C(C)CC(C)(C)[NH]1CC[NH]2CC[NH]3C(C)(C)CC(C)=[N]4[O]5.Cl(=O)(=O)(=O)[O-]
• Title of publication: (4,4,12,12-Tetramethyl-5,8,11-triazapenta-2,14-dione 2-oxime 14-oximato-κ^5^<i>N</i>)copper(II) perchlorate: a copper(II) compound with a pentadentate triamine–oxime–oximate ligand
• Authors of publication: Curtis, Neil F.; Gladkikh, Olga P.; Morgan, Keith R.; Heath, Sarah L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: m256 - m257
• a: 10.8307 ± 0.0007 Å
• b: 23.9974 ± 0.0015 Å
• c: 8.6318 ± 0.0006 Å
• α: 90°
• β: 90.058 ± 0.002°
• γ: 90°
• Cell volume: 2243.5 ± 0.3 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No