Information card for entry 4325030

Structure parameters

• Formula: C34 H56 Cl4 Cu N8 O8
• Calculated formula: C34 H56 Cl4 Cu N8 O8
• SMILES: C1(C)(C)C(C)(C)N(=C(c2c[n]([Cu]([n]3cc(C4=N(C(C)(C)C(C)(C)[N]4=O)=O)n(c3)C)(OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)cn2C)[N]1=O)=O.C(Cl)Cl.C(Cl)Cl
• 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: 9.2351 ± 0.0011 Å
• b: 10.8412 ± 0.0013 Å
• c: 12.0491 ± 0.0015 Å
• α: 92.302 ± 0.002°
• β: 112.182 ± 0.002°
• γ: 92.859 ± 0.002°
• Cell volume: 1113.4 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0724
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 0.898
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No