Information card for entry 4320076

Structure parameters

• Formula: C28 H19 Cl4 Cu N5 O4 Re
• Calculated formula: C28 H16 Cl4 Cu N5 O4 Re
• SMILES: [Re]1(Cl)(Cl)(Cl)(Cl)[O]=C2C(O1)=[O][Cu]13(O2)([n]2cccc4ccc5ccc[n]1c5c24)[n]1cccc2ccc4ccc[n]3c4c12.CC#N
• Title of publication: Heterobimetallic Oxalato-Bridged CuIIReIV Complexes. Synthesis, Crystal Structure and Magnetic Properties
• Authors of publication: Raúl Chiozzone; Ricardo González; Carlos Kremer; Giovanni De Munno; Donatella Armentano; Joan Cano; Francesc Lloret; Miguel Julve; Juan Faus
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 4242 - 4249
• a: 12.837 ± 0.003 Å
• b: 17.761 ± 0.004 Å
• c: 12.914 ± 0.003 Å
• α: 90°
• β: 91.32 ± 0.02°
• γ: 90°
• Cell volume: 2943.6 ± 1.2 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 15.54
• Residual factor for significantly intense reflections: 9.75
• Weighted residual factors for all reflections: 17.53
• Weighted residual factors for significantly intense reflections: 13.91
• Goodness-of-fit parameter for significantly intense reflections: 2.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No