Information card for entry 1545603

Structure parameters

• Formula: C30 H32 Cl6 Fe N6 O4 Re
• Calculated formula: C30 H32 Cl6 Fe N6 O4 Re
• 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: 7.9831 ± 0.0003 Å
• b: 10.5052 ± 0.0005 Å
• c: 10.789 ± 0.0004 Å
• α: 106.255 ± 0.004°
• β: 103.909 ± 0.003°
• γ: 92.852 ± 0.003°
• Cell volume: 836.49 ± 0.06 ų
• Cell temperature: 120.01 ± 0.1 K
• Ambient diffraction temperature: 120.01 ± 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: 0.0378
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.0575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No