Information card for entry 2017470

Structure parameters

• Chemical name: <i>catena</i>-Poly[[bis(acetonitrile-κ<i>N</i>)manganese(II)]-bis(μ- trifluoromethanesulfonato-κ^2^<i>O</i>:<i>O</i>')]
• Formula: C6 H6 F6 Mn N2 O6 S2
• Calculated formula: C6 H6 F6 Mn N2 O6 S2
• SMILES: [Mn]1([N]#CC)([N]#CC)(OS(=O)(C(F)(F)F)=O)(OS(=O)(C(F)(F)F)=O)OS(=O)(C(F)(F)F)=[O][Mn]([N]#CC)([N]#CC)OS(=[O]1)(=O)C(F)(F)F
• Title of publication: <i>catena</i>-Poly[[bis(acetonitrile-κ<i>N</i>)manganese(II)]-bis(μ-trifluoromethanesulfonato-κ^2^<i>O</i>:<i>O</i>')]
• Authors of publication: Lutz, Martin; Schreurs, Antoine M. M.; Spek, Anthony L.; Moelands, Marcel A. H.; Klein Gebbink, Robertus J. M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: m9 - m12
• a: 5.13763 ± 0.00008 Å
• b: 8.1188 ± 0.00012 Å
• c: 9.75293 ± 0.0001 Å
• α: 73.126 ± 0.001°
• β: 76.885 ± 0.001°
• γ: 76.025 ± 0.001°
• Cell volume: 372.346 ± 0.009 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0183
• Residual factor for significantly intense reflections: 0.0178
• Weighted residual factors for significantly intense reflections: 0.0475
• Weighted residual factors for all reflections included in the refinement: 0.0478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes