Information card for entry 4308547

Structure parameters

• Formula: C21 H22 Cl Cu N3 O3
• Calculated formula: C21 H22 Cl Cu N3 O3
• Title of publication: Hydrolytic Protein Cleavage Mediated by Unusual Mononuclear Copper(II) Complexes: X-ray Structures and Solution Studies
• Authors of publication: Mauricio C. B. de Oliveira; Marciela Scarpellini; Ademir Neves; Hernán Terenzi; Adailton J. Bortoluzzi; Bruno Szpoganics; Alessandra Greatti; Antônio S. Mangrich; Emanuel M. de Souza; Pablo M. Fernandez; Marcia R. Soares
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 921 - 929
• a: 8.311 ± 0.002 Å
• b: 12.782 ± 0.003 Å
• c: 19.824 ± 0.004 Å
• α: 90°
• β: 100.72 ± 0.03°
• γ: 90°
• Cell volume: 2069.2 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0791
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No