Information card for entry 1545606

Structure parameters

• Formula: C30 H32 Br6 Cu N6 O4 Re
• Calculated formula: C30 H32 Br6 Cu N6 O4 Re
• SMILES: [Re](Br)(Br)(Br)(Br)([Br-])[Br-].[Cu]1234(ON5C(OCC5(C)C)(c5[n]2cccc5)c2[n]3cccc2)ON2C(OCC2(C)C)(c2[n]1cccc2)c1[n]4cccc1
• Title of publication: Hexahalorhenate(iv) salts of metal oxazolidine nitroxides.
• Authors of publication: Pedersen, Anders H.; Geoghegan, Blaise L.; Nichol, Gary S.; Lupton, David W.; Murray, Keith S.; Martínez-Lillo, José; Gass, Ian A.; Brechin, Euan K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 16
• Pages of publication: 5250 - 5259
• a: 8.07321 ± 0.0002 Å
• b: 10.811 ± 0.0004 Å
• c: 11.0629 ± 0.0004 Å
• α: 107.144 ± 0.003°
• β: 100.37 ± 0.002°
• γ: 93.917 ± 0.002°
• Cell volume: 899.99 ± 0.05 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.1379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No