Information card for entry 1545597

Structure parameters

• Formula: C30 H32 Br6 Fe N6 O4 Re
• Calculated formula: C30 H32 Br6 Fe N6 O4 Re
• SMILES: [Re](Br)(Br)(Br)(Br)([Br-])[Br-].[Fe]1234(ON5C(OCC5(C)C)(c5[n]3cccc5)c3[n]2cccc3)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: 8.0539 ± 0.0004 Å
• b: 10.665 ± 0.0006 Å
• c: 11.0535 ± 0.0007 Å
• α: 105.576 ± 0.005°
• β: 101.89 ± 0.005°
• γ: 93.681 ± 0.004°
• Cell volume: 887.72 ± 0.09 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: 0.0666
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No