Information card for entry 2215816

Structure parameters

• Chemical name: 2-Hydroxypropane-1,3-diammonium bis(phosphonato)zincate(II) hemihydrate
• Formula: C3 H15 N2 O7.5 P2 Zn
• Calculated formula: C3 H15 N2 O7.5 P2 Zn
• Title of publication: 2-Hydroxypropane-1,3-diammonium bis(phosphonato)zincate(II) hemihydrate
• Authors of publication: Holtby, Andrew S.; Harrison, William T. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: m2779 - m2779
• a: 8.8554 ± 0.0003 Å
• b: 7.8466 ± 0.0003 Å
• c: 16.6251 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1155.19 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.0312
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.0638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes