Information card for entry 4312097

Structure parameters

• Formula: C29 H21 Cl4 Cu N5 O4 Re
• Calculated formula: C29 H21 Cl4 Cu N5 O4 Re
• SMILES: [Re]1(Cl)(Cl)(Cl)(Cl)[O]=C(CC(=O)O1)O[Cu]12([n]3cccc4ccc5ccc[n]1c5c34)[n]1cccc3ccc4ccc[n]2c4c13.N#CC
• Title of publication: Rhenium(IV)-Copper(II) Heterobimetallic Complexes with a Bridge Malonato Ligand. Synthesis, Crystal Structure, and Magnetic Properties
• Authors of publication: Alicia Cuevas; Raúl Chiozzone; Carlos Kremer; Leopoldo Suescun; Alvaro Mombrú; Donatella Armentano; Giovanni De Munno; Francesc Lloret; Juan Cano; Juan Faus
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 7823 - 7831
• a: 10.1199 ± 0.0013 Å
• b: 17.8635 ± 0.0014 Å
• c: 9.5576 ± 0.0009 Å
• α: 98.56 ± 0.007°
• β: 115.97 ± 0.008°
• γ: 96.18 ± 0.009°
• Cell volume: 1506.7 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No