Information card for entry 4320077

Structure parameters

• Formula: C36 H27 Cl8 Cu2 N7 O9 Re2
• Calculated formula: C36 H22 Cl8 Cu2 N7 O9 Re2
• SMILES: [Re]1(Cl)(Cl)(Cl)(Cl)OC2=[O][Cu]34(OC2=[O]1)([OH2])[n]1c(cccc1)c1[n]3c(ccc1)c1[n]4cccc1.[Re]1(Cl)(Cl)(Cl)(Cl)OC(=O)C(O1)=[O][Cu]12([n]3ccccc3c3[n]1c(ccc3)c1[n]2cccc1)[N]#CC
• 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: 8.93 ± 0.002 Å
• b: 18.543 ± 0.004 Å
• c: 27.503 ± 0.006 Å
• α: 90°
• β: 94.67 ± 0.02°
• γ: 90°
• Cell volume: 4539.1 ± 1.7 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 11.5
• Residual factor for significantly intense reflections: 5.26
• Weighted residual factors for all reflections: 7.96
• Weighted residual factors for significantly intense reflections: 6.14
• Goodness-of-fit parameter for significantly intense reflections: 1.3
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No