Information card for entry 7022055

Structure parameters

• Formula: C29 H18 Br4 Cl4 Co N6 O6 Re
• Calculated formula: C29 H18 Br4 Cl4 Co N6 O6 Re
• SMILES: [Re]1(Br)(Br)(Br)(Br)[O]=C2C(=[O]1)O[Co]13(O2)([n]2ccc(Cl)c4ccc5c(Cl)cc[n]1c5c24)[n]1ccc(Cl)c2ccc4c(Cl)cc[n]3c4c12.CC#N.N(=O)(=O)C
• Title of publication: Ferromagnetic coupling and spin canting behaviour in heterobimetallic Re(IV)M(II/III) (M = Co(II/III), Ni(II)) species.
• Authors of publication: Martínez-Lillo, José; Armentano, Donatella; De Munno, Giovanni; Julve, Miguel; Lloret, Francesc; Faus, Juan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 5
• Pages of publication: 1687 - 1695
• a: 13.3068 ± 0.0002 Å
• b: 18.0103 ± 0.0004 Å
• c: 16.528 ± 0.0003 Å
• α: 90°
• β: 100.821 ± 0.001°
• γ: 90°
• Cell volume: 3890.66 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.0634
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No