Information card for entry 7218511

Structure parameters

• Common name: (manganese(II)-benzenedisulfonate)(N-methylpyrrolidone)
• Formula: C16 H22 Mn N2 O8 S2
• Calculated formula: C16 H22 Mn N2 O8 S2
• Title of publication: 1,2,4,5-Benzenetetrasulfonic acid and 1,4-benzenedisulfonic acid as sulfo analogues of pyromellitic and terephthalic acids for building coordination polymers of manganese
• Authors of publication: Zitzer, Christina; Muesmann, Thomas W. T.; Christoffers, Jens; Schwickert, Christian; Pöttgen, Rainer; Wickleder, Mathias S.
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 48
• Pages of publication: 11064
• a: 9.6297 ± 0.0003 Å
• b: 9.7676 ± 0.0003 Å
• c: 10.3423 ± 0.0003 Å
• α: 89.371 ± 0.001°
• β: 78.839 ± 0.001°
• γ: 87.604 ± 0.002°
• Cell volume: 953.55 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No