Information card for entry 2216375

Structure parameters

• Chemical name: (Methyl (S)-3-(imidazol-4-yl)-\ 2-{6-[(S)-2-(imidazol-4-yl)-1-(methoxycarbonyl)ethylaminocarbonyl]pyridine-\ 2-carbonylamino}propionato)copper(II) methanol sesquisolvate
• Formula: C22.5 H25 Cu N7 O7.5
• Calculated formula: C22.5 H25 Cu N7 O7.5
• Title of publication: (Methyl (<i>S</i>)-3-(imidazol-4-yl)-2-{6-[(<i>S</i>)-2-(imidazol-4-yl)-1-(methoxycarbonyl)ethylaminocarbonyl]pyridine-2-carbonylamino}propionato)copper(II) methanol sesquisolvate
• Authors of publication: Räisänen, Minna T.; Klinga, Martti; Leskelä, Markku; Repo, Timo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m3021 - m3021
• a: 13.701 ± 0.001 Å
• b: 13.771 ± 0.001 Å
• c: 13.59 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2564.1 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0821
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 0.923
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes