Information card for entry 2238326

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[tetraaquamagnesium]-<i>trans</i>-μ-[(piperazine-1,4-diium-1,4-diyl)bis(methylene)]diphosphonato] hemihydrate]
• Formula: C6 H23 Mg N2 O10.5 P2
• Calculated formula: C6 H23 Mg N2 O10.5 P2
• Title of publication: <i>catena</i>-Poly[[[tetraaquamagnesium]-<i>trans</i>-μ-[(piperazine-1,4-diium-1,4-diyl)bis(methylene)]diphosphonato] hemihydrate]
• Authors of publication: Schilling, Lars-Hendrik; Stock, Norbert
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 8
• Pages of publication: m452 - m453
• a: 6.6296 ± 0.0005 Å
• b: 6.8074 ± 0.0006 Å
• c: 8.7962 ± 0.0007 Å
• α: 94.579 ± 0.006°
• β: 103.326 ± 0.006°
• γ: 106.552 ± 0.006°
• Cell volume: 365.75 ± 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: 0.0351
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes