Information card for entry 4327195

Structure parameters

• Formula: C8 H10 Br2 Cl4 N4 Ni O2 Re
• Calculated formula: C8 H6 Br2 Cl4 N4 Ni O2 Re
• SMILES: c1cc[n]2c3[n]1[Re](Cl)(Cl)([n]1ccc[n]([Ni]2([OH2])(Br)([OH2])Br)c31)(Cl)Cl
• Title of publication: First Magnetostructural Study on a Heterodinuclear 2,2'-Bipyrimidine-Bridged Complex
• Authors of publication: José Martínez-Lillo; Donatella Armentano; Giovanni De Munno; Joan Cano; Francesc Lloret; Miguel Julve; Juan Faus
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 12405 - 12407
• a: 6.8978 ± 0.0002 Å
• b: 13.1462 ± 0.0007 Å
• c: 23.8569 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2163.3 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for all reflections: 0.1068
• Residual factor for significantly intense reflections: 0.0973
• Weighted residual factors for significantly intense reflections: 0.2992
• Weighted residual factors for all reflections included in the refinement: 0.3162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.515
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No