Information card for entry 4350113

Structure parameters

• Common name: L2
• Chemical name: (Bis-(1-methyl-4-pivalamidoimidazol-2-yl)methyl) ((1-methylimidazol-2-yl)methyl)amine
• Formula: C25 H41 N9 O3
• Calculated formula: C25 H41 N9 O3
• SMILES: N(Cc1nccn1C)(Cc1nc(NC(=O)C(C)(C)C)cn1C)Cc1nc(NC(=O)C(C)(C)C)cn1C.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: 29.757 ± 0.006 Å
• b: 11.358 ± 0.002 Å
• c: 19.493 ± 0.004 Å
• α: 90°
• β: 97.948 ± 0.003°
• γ: 90°
• Cell volume: 6525 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0862
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1261
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No