Information card for entry 4325025

Structure parameters

• Formula: C32 H36 Cu F12 N8 O8
• Calculated formula: C32 H36 Cu F12 N8 O8
• SMILES: C1=C(C(F)(F)F)O[Cu]2([O]=C1C(F)(F)F)([n]1cc(n(c1)C)C1=N(C(C)(C)C([N]1=O)(C)C)=O)([n]1cc(n(c1)C)C1=N(C(C)(C)C([N]1=O)(C)C)=O)OC(=CC(C(F)(F)F)=[O]2)C(F)(F)F
• Title of publication: "Jumping Crystals": Oxygen-Evolving Metal-Nitroxide Complexes
• Authors of publication: Victor I. Ovcharenko; Sergei V. Fokin; Elena Yu. Fursova; Olga V. Kuznetsova; Eugene V. Tretyakov; Galina V. Romanenko; Artem S. Bogomyakov
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 4307 - 4312
• a: 7.0992 ± 0.0011 Å
• b: 11.4445 ± 0.0018 Å
• c: 12.863 ± 0.002 Å
• α: 102.449 ± 0.003°
• β: 99.616 ± 0.003°
• γ: 100.459 ± 0.003°
• Cell volume: 980.1 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0518
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No