Information card for entry 1545602

Structure parameters

• Formula: C38 H44 Cl6 Co N10 O4 Re
• Calculated formula: C38 H44 Cl6 Co N10 O4 Re
• SMILES: [Re](Cl)(Cl)(Cl)(Cl)([Cl-])[Cl-].[Co]1234(ON5C(OCC5(C)C)(c5[n]1cccc5)c1[n]4cccc1)ON1C(OCC1(C)C)(c1[n]2cccc1)c1[n]3cccc1.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: 13.5101 ± 0.0006 Å
• b: 11.2475 ± 0.0004 Å
• c: 15.7037 ± 0.0007 Å
• α: 90°
• β: 110.536 ± 0.005°
• γ: 90°
• Cell volume: 2234.61 ± 0.18 ų
• Cell temperature: 199.94 ± 0.13 K
• Ambient diffraction temperature: 199.94 ± 0.13 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: 0.0985
• Residual factor for significantly intense reflections: 0.0712
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.278
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No