Information card for entry 7003231

Structure parameters

• Formula: C18 H14 Cl4 Cu N6 O4 Re
• Calculated formula: C18 H14 Cl4 Cu N6 O4 Re
• SMILES: [Cu]12([n]3c(c4[n]1cc[nH]4)cccc3)[n]1c(c3[n]2cc[nH]3)cccc1.[Re]1(Cl)(Cl)(Cl)(Cl)OC(=O)C(=O)O1
• Title of publication: X-Ray structure of [ReCl4(µ-ox)Cu(pyim)2]: a new heterobimetallic ReIVCuII ferrimagnetic chain
• Authors of publication: Martínez-Lillo, José; Armentano, Donatella; De Munno, Giovanni; Lloret, Francesc; Julve, Miguel; Faus, Juan
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 1
• Pages of publication: 40
• a: 9.1456 ± 0.0002 Å
• b: 16.8003 ± 0.0004 Å
• c: 15.6593 ± 0.0004 Å
• α: 90°
• β: 92.568 ± 0.001°
• γ: 90°
• Cell volume: 2403.62 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0461
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.0684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No