Information card for entry 2237726

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[diaqua(tetramethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')nickel(II)]-μ-sulfato-κ^2^<i>O</i>:<i>O</i>'] monohydrate]
• Formula: C6 H22 N2 Ni O7 S
• Calculated formula: C6 H22 N2 Ni O7 S
• SMILES: [Ni]1([N](C)(C)CC[N]1(C)C)(OS(=O)(=O)[O-])([OH2])([OH2])OS(=O)(=O)O[Ni]1([N](C)(C)CC[N]1(C)C)([OH2])[OH2].O.O
• Title of publication: <i>catena</i>-Poly[[[diaqua(tetramethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')nickel(II)]-μ-sulfato-κ^2^<i>O</i>:<i>O</i>'] monohydrate]
• Authors of publication: Schmidt, Guntram; Merzweiler, Kurt
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: m197
• a: 21.108 ± 0.004 Å
• b: 9.9335 ± 0.0019 Å
• c: 6.3879 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1339.4 ± 0.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0468
• Weighted residual factors for all reflections included in the refinement: 0.0518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes