Information card for entry 4332324

Structure parameters

• Formula: C98 H82 B2 Cu2 F48 N6
• Calculated formula: C98 H82 B2 Cu2 F48 N6
• Title of publication: O2Chemistry of Dicopper Complexes with Alkyltriamine Ligands. Comparing Synergistic Effects on O2Binding
• Authors of publication: Company, Anna; Lamata, Diana; Poater, Albert; Solà, Miquel; Rybak-Akimova, Elena V.; Que, Jr., Lawrence; Fontrodona, Xavier; Parella, Teodor; Llobet, Antoni; Costas, Miquel
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 14
• Pages of publication: 5239 - 5241
• a: 13.073 ± 0.005 Å
• b: 27.978 ± 0.012 Å
• c: 13.464 ± 0.006 Å
• α: 90°
• β: 96.633 ± 0.007°
• γ: 90°
• Cell volume: 4892 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0716
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No