Information card for entry 4321138

Structure parameters

• Formula: C35 H43 Cl2 Cu2 N9 O9
• Calculated formula: C35 H43 Cl2 Cu2 N9 O9
• 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: 10.354 ± 0.002 Å
• b: 13.14 ± 0.003 Å
• c: 15.668 ± 0.003 Å
• α: 96.52 ± 0.01°
• β: 94.65 ± 0.01°
• γ: 91.91 ± 0.01°
• Cell volume: 2108.9 ± 0.8 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for all reflections: 0.1477
• Weighted residual factors for significantly intense reflections: 0.1319
• Goodness-of-fit parameter for all reflections: 1.081
• Goodness-of-fit parameter for significantly intense reflections: 1.069
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No