Information card for entry 4350114

Structure parameters

• Common name: [Cu(L2)Cl]ClO4
• Formula: C25 H39 Cl2 Cu N9 O6
• Calculated formula: C25 H21 Cl2 Cu N9 O6
• 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: 18.908 ± 0.009 Å
• b: 20.14 ± 0.009 Å
• c: 11.196 ± 0.005 Å
• α: 90°
• β: 94.606 ± 0.008°
• γ: 90°
• Cell volume: 4250 ± 3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1549
• Residual factor for significantly intense reflections: 0.0739
• Weighted residual factors for significantly intense reflections: 0.1384
• Weighted residual factors for all reflections included in the refinement: 0.1504
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No