Information card for entry 7102067

Structure parameters

• Common name: (CuL)(ClO4) , L = 2-(S )-((2-pyridylmethyl)methylamino) -3-(1- (hydroxy)phenyl)-imidazol-4(5)-yl)- propyl methyl ether
• Formula: C20 H24 Cl2 Cu N4 O6
• Calculated formula: C20 H24 Cl2 Cu N4 O6
• Title of publication: Synthesis and structural characterization of cross-linked histidine-phenol Cu(ii) complexes as cytochrome c oxidase active site models.
• Authors of publication: White, Kimberly N; Sen, Indranil; Szundi, Istvan; Landaverry, Yakira R; Bria, Lauren E; Konopelski, Joseph P; Olmstead, Marilyn M; Einarsdóttir, Olöf
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 31
• Pages of publication: 3252 - 3254
• a: 6.6563 ± 0.0011 Å
• b: 16.198 ± 0.003 Å
• c: 20.176 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2175.4 ± 0.6 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No