Information card for entry 7004850

Structure parameters

• Formula: C24 H48 Br5 N3 O3 Re
• Calculated formula: C24 H48 Br5 N3 O3 Re
• SMILES: c1c(C(=O)O)ncc[n]1[Re](Br)(Br)(Br)(Br)Br.C(CCC)[N+](CCCC)(CCCC)CCCC.OC(C)C
• Title of publication: Magnetic properties and molecular structures of binuclear (2-pyrazinecarboxylate)-bridged complexes containing Re(IV) and M(II) (M = Co, Ni).
• Authors of publication: Cuevas, Alicia; Kremer, Carlos; Hummert, Markus; Schumann, Herbert; Lloret, Francesc; Julve, Miguel; Faus, Juan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 3
• Pages of publication: 342 - 350
• a: 15.532 ± 0.0005 Å
• b: 11.9704 ± 0.0004 Å
• c: 20.2072 ± 0.0007 Å
• α: 90°
• β: 103.215 ± 0.001°
• γ: 90°
• Cell volume: 3657.5 ± 0.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2295
• Residual factor for significantly intense reflections: 0.0775
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.149
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No