Information card for entry 2107463

Structure parameters

• Common name: Calcium Pyrophosphate Dihydrate
• Chemical name: Calcium Pyrophosphate Dihydrate
• Formula: Ca2 H4 O9 P2
• Calculated formula: Ca2 H4 O9 P2
• Title of publication: Crystal structure of monoclinic calcium pyrophosphate dihydrate (m-CPPD) involved in inflammatory reactions and osteoarthritis
• Authors of publication: Gras, Pierre; Rey, Christian; André, Gilles; Charvillat, Cédric; Sarda, Stéphanie; Combes, Christèle
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 1
• Pages of publication: 96 - 101
• a: 12.584 ± 0.0014 Å
• b: 9.2184 ± 0.001 Å
• c: 6.7372 ± 0.0007 Å
• α: 90°
• β: 104.949 ± 0.011°
• γ: 90°
• Cell volume: 755.09 ± 0.15 ų
• Cell temperature: 291 K
• Ambient diffraction temperature: 291 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor R(I) for significantly intense reflections: 6.903
• Goodness-of-fit parameter for all reflections: 2.2038
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 2.423 Å
• Diffraction radiation type: ConstantWavelengthNeutronDiffraction
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No