Information card for entry 4321137

Structure parameters

• Formula: C16 H18 Cl2 Cu N4 O8
• Calculated formula: C16 H18 Cl2 Cu N4 O8
• Title of publication: Copper(II) and Copper(I) Complexes with an Open-Chain N4 Schiff Base Ligand Modeling CuZn Superoxide Dismutase: Structural and Spectroscopic Characterization and Kinetics of Electron Transfer
• Authors of publication: Jürgen Lange; Horst Elias; Helmut Paulus; Jörg Müller; Ulrich Weser
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 3342 - 3349
• a: 14.409 ± 0.005 Å
• b: 7.511 ± 0.003 Å
• c: 20.163 ± 0.007 Å
• α: 90°
• β: 109.62 ± 0.01°
• γ: 90°
• Cell volume: 2055.5 ± 1.3 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 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: 0.0686
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections: 0.1802
• Weighted residual factors for significantly intense reflections: 0.1567
• Goodness-of-fit parameter for all reflections: 1.035
• Goodness-of-fit parameter for significantly intense reflections: 1.04
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No