Information card for entry 4308120

Structure parameters

• Formula: C28 H50 Cl2 Cu2 N8 O8
• Calculated formula: C28 H50 Cl2 Cu2 N8 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: 9.5895 ± 0.0003 Å
• b: 13.2032 ± 0.0005 Å
• c: 15.7764 ± 0.0006 Å
• α: 106.467 ± 0.001°
• β: 98.786 ± 0.001°
• γ: 94.551 ± 0.001°
• Cell volume: 1877.16 ± 0.12 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0582
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No