Information card for entry 2104980

Structure parameters

• Common name: calcium bis(hydrogen methylphosphonate)
• Formula: C2 H8 Ca O6 P2
• Calculated formula: C2 H8 Ca O6 P2
• Title of publication: Charge-density distribution in hydrogen methylphosphonates of calcium and lithium
• Authors of publication: Mermer, Adrian; Starynowicz, Przemysław
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: 399 - 408
• a: 20.403 ± 0.013 Å
• b: 5.601 ± 0.002 Å
• c: 7.274 ± 0.006 Å
• α: 90°
• β: 108.48 ± 0.08°
• γ: 90°
• Cell volume: 788.4 ± 0.9 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.025
• Residual factor for significantly intense reflections: 0.012
• Weighted residual factors for all reflections included in the refinement: 0.013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.456
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes