Information card for entry 4350115

Structure parameters

• Common name: [Cu(L2)OH]ClO4
• Formula: C25 H40 Cl Cu N9 O7
• Calculated formula: C25 H40 Cl Cu N9 O7
• SMILES: [Cu]123([N](Cc4[n]1c(NC(=O)C(C)(C)C)cn4C)(Cc1[n]2c(NC(=O)C(C)(C)C)cn1C)Cc1[n]3ccn1C)O.Cl(=O)(=O)(=O)[O-]
• Title of publication: Structural and spectroscopic characterization of copper(II) complexes of a new bisamide functionalized imidazole tripod and evidence for the formation of a mononuclear end-on Cu-OOH species.
• Authors of publication: Cheruzel, Lionel E.; Cecil, Matthew R.; Edison, Sara E.; Mashuta, Mark S.; Baldwin, Michael J.; Buchanan, Robert M.
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 8
• Pages of publication: 3191 - 3202
• a: 21.653 ± 0.01 Å
• b: 10.26 ± 0.005 Å
• c: 31.194 ± 0.015 Å
• α: 90°
• β: 93.766 ± 0.008°
• γ: 90°
• Cell volume: 6915 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1944
• Residual factor for significantly intense reflections: 0.0858
• Weighted residual factors for significantly intense reflections: 0.1654
• Weighted residual factors for all reflections included in the refinement: 0.1806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No