Information card for entry 2237242

Structure parameters

• Chemical name: <i>catena</i>-Poly[[tris(acetonitrile-κ<i>N</i>)praseodymium(III)]tris(μ- trifluoromethanesulfonato-κ^2^<i>O</i>:<i>O</i>')]
• Formula: C9 H9 F9 N3 O9 Pr S3
• Calculated formula: C9 H9 F9 N3 O9 Pr S3
• SMILES: [Pr]12(OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)([N]#CC)([N]#CC)([N]#CC)[O]=S(O[Pr]([O]=S(O1)(=O)C(F)(F)F)(OS(=[O]2)(=O)C(F)(F)F)([N]#CC)([N]#CC)[N]#CC)(=O)C(F)(F)F
• Title of publication: <i>catena</i>-Poly[[tris(acetonitrile-κ<i>N</i>)praseodymium(III)]tris(μ-trifluoromethanesulfonato-κ^2^<i>O</i>:<i>O</i>')]
• Authors of publication: Apostolidis, Christos; Walter, Olaf
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: m21
• a: 5.8044 ± 0.0006 Å
• b: 10.5062 ± 0.001 Å
• c: 18.9887 ± 0.0019 Å
• α: 97.307 ± 0.001°
• β: 94.163 ± 0.001°
• γ: 91.695 ± 0.001°
• Cell volume: 1144.7 ± 0.2 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 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: 0.0441
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes