Information card for entry 4308122

Structure parameters

• Formula: C28 H52 Cl2 Cu2 N6 O8
• Calculated formula: C28 H52 Cl2 Cu2 N6 O8
• Title of publication: Fast O2 Binding at Dicopper Complexes Containing Schiff-Base Dinucleating Ligands
• Authors of publication: Anna Company; Laura Gómez; Rubén Mas-Ballesté; Ivan V. Korendovych; Xavi Ribas; Albert Poater; Teodor Parella; Xavier Fontrodona; Jordi Benet-Buchholz; Miquel Solà; Que, Jr., Lawrence; Elena V. Rybak-Akimova; Miquel Costas
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 4997 - 5012
• a: 14.687 ± 0.006 Å
• b: 14.645 ± 0.006 Å
• c: 17.054 ± 0.007 Å
• α: 90°
• β: 102.048 ± 0.006°
• γ: 90°
• Cell volume: 3587 ± 3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.1474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No