Information card for entry 4325024

Structure parameters

• Formula: C32 H36 Cu F12 N8 O8
• Calculated formula: C32 H36 Cu F12 N8 O8
• SMILES: C(C1=CC(C(F)(F)F)=[O][Cu]2([n]3cc(n(c3)C)C3=N(=O)C(C)(C)C([N]3=O)(C)C)(O1)([n]1cc(n(c1)C)C1=N(C(C)(C)C([N]1=O)(C)C)=O)[O]=C(C(F)(F)F)C=C(C(F)(F)F)O2)(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: 6.9848 ± 0.0019 Å
• b: 11.29 ± 0.003 Å
• c: 12.65 ± 0.004 Å
• α: 101.781 ± 0.005°
• β: 99.593 ± 0.005°
• γ: 100.64 ± 0.006°
• Cell volume: 937.9 ± 0.5 ų
• Cell temperature: 240 ± 1 K
• Ambient diffraction temperature: 240 ± 1 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: 0.0819
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1398
• Weighted residual factors for all reflections included in the refinement: 0.1468
• Goodness-of-fit parameter for all reflections included in the refinement: 0.868
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No