Information card for entry 4321263

Structure parameters

• Formula: C23 H22 Cl2 Cu2 N4 O14
• Calculated formula: C46 H36 Cl4 Cu4 N8 O28
• Title of publication: Magnetic Coupling through the Carbon Skeleton of Malonate in Two Polymorphs of {[Cu(bpy)(H2O)][Cu(bpy)(mal)(H2O)]}(ClO4)2 (H2mal = Malonic Acid; bpy = 2,2'-Bipyridine)
• Authors of publication: Catalina Ruiz-Pérez; María Hernández-Molina; Pablo Lorenzo-Luis; Francesc Lloret; Juan Cano; Miguel Julve
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 3845 - 3852
• a: 23.743 ± 0.003 Å
• b: 9.7522 ± 0.0005 Å
• c: 27.731 ± 0.002 Å
• α: 90°
• β: 114.58 ± 0.01°
• γ: 90°
• Cell volume: 5839.2 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0753
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for all reflections: 0.2113
• Weighted residual factors for significantly intense reflections: 0.1591
• Goodness-of-fit parameter for all reflections: 1.359
• Goodness-of-fit parameter for significantly intense reflections: 1.081
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No