Information card for entry 1545600

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: 13.4707 ± 0.0005 Å
• b: 11.3978 ± 0.0003 Å
• c: 15.6234 ± 0.0006 Å
• α: 90°
• β: 110.044 ± 0.004°
• γ: 90°
• Cell volume: 2253.47 ± 0.15 ų
• Cell temperature: 250 ± 0.1 K
• Ambient diffraction temperature: 250 ± 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: 0.0742
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No