Information card for entry 4322391

Structure parameters

• Formula: C42 H50 Cu2 F12 N10 O2 P2
• Calculated formula: C42 H50 Cu2 F12 N10 O2 P2
• Title of publication: Mechanistic, Structural, and Spectroscopic Studies on the Catecholase Activity of a Dinuclear Copper Complex by Dioxygen
• Authors of publication: Enrico Monzani; Giuseppe Battaini; Angelo Perotti; Luigi Casella; Michele Gullotti; Laura Santagostini; Giorgio Nardin; Lucio Randaccio; Silvano Geremia; Piero Zanello; Giuliana Opromolla
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 5359 - 5369
• a: 22.458 ± 0.002 Å
• b: 10.728 ± 0.001 Å
• c: 19.843 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4780.8 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0919
• Residual factor for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections: 0.2295
• Weighted residual factors for significantly intense reflections: 0.2252
• Goodness-of-fit parameter for all reflections: 1.037
• Goodness-of-fit parameter for significantly intense reflections: 1.056
• Diffraction radiation wavelength: 0.9 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No