Information card for entry 2005212

Structure parameters

• Formula: C3 H8 Ca N O7 P
• Calculated formula: C3 H8 Ca N O7 P
• Title of publication: Aqua(<small>L</small>-<i>O</i>-serine phosphato)calcium(II)
• Authors of publication: Suga, T.; Okabe, N.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 8
• Pages of publication: 1894 - 1896
• a: 5.534 ± 0.002 Å
• b: 12.759 ± 0.002 Å
• c: 5.74 ± 0.002 Å
• α: 90°
• β: 104.77 ± 0.02°
• γ: 90°
• Cell volume: 391.9 ± 0.2 ų
• Cell temperature: 296 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.029
• Goodness-of-fit parameter for significantly intense reflections: 1.22
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No