Information card for entry 1545604

Structure parameters

• Formula: C27 H34 Br6 N9 Ni O2 Re
• Calculated formula: C27 H34 Br6 N9 Ni O2 Re
• SMILES: [Re](Br)(Br)(Br)(Br)([Br-])[Br-].[Ni]12([O]=[N]3C(OCC3(C)C)(c3[n]1cccc3)c1[n]2cccc1)([N]#CC)([N]#CC)[N]#CC.N#CC.N#CC.N#CC
• 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: 11.3999 ± 0.0004 Å
• b: 23.9868 ± 0.0008 Å
• c: 14.3655 ± 0.0006 Å
• α: 90°
• β: 91.166 ± 0.003°
• γ: 90°
• Cell volume: 3927.4 ± 0.3 ų
• Cell temperature: 120.01 ± 0.1 K
• Ambient diffraction temperature: 120.01 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0795
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No