Information card for entry 2107462

Structure parameters

• Common name: Calcium Pyrophosphate Dihydrate
• Chemical name: Calcium Pyrophosphate Dihydrate
• Formula: Ca2 H4 O9 P2
• Calculated formula: Ca2 H4 O9 P2
• SMILES: [Ca+2].[Ca+2].[O-]P(=O)([O-])OP(=O)([O-])[O-].O.O
• 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: 12.60842 ± 0.00004 Å
• b: 9.24278 ± 0.00004 Å
• c: 6.74885 ± 0.00002 Å
• α: 90°
• β: 104.992 ± 0.0003°
• γ: 90°
• Cell volume: 759.721 ± 0.005 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: 5.0528
• Goodness-of-fit parameter for all reflections: 2.5703
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 0.72442 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes