Information card for entry 7054889

Structure parameters

• Common name: (iron(II)-benzenedisulfonate)(N-methylpyrrolidone)
• Formula: C21 H31 Fe N3 O9 S2
• Calculated formula: C21 H31 Fe N3 O9 S2
• Title of publication: 1,4-Benzenedisulfonic acid (H2BDS) as terephthalic acid analogue for the preparation of coordination polymers: the examples of M(BDS)(NMP)3(M = Mn, Fe, Co; NMP = N-methylpyrrolidone)
• Authors of publication: Zitzer, Christina; Muesmann, Thomas W. T.; Christoffers, Jens; Wickleder, Mathias S.
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 8
• Pages of publication: 6117
• a: 9.1198 ± 0.0005 Å
• b: 9.6075 ± 0.0005 Å
• c: 14.3241 ± 0.0008 Å
• α: 94.951 ± 0.002°
• β: 98.05 ± 0.003°
• γ: 92.029 ± 0.002°
• Cell volume: 1236.62 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0278
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No