Information card for entry 2203237

Structure parameters

• Chemical name: Calcium potassium cyclo-triphosphate
• Formula: Ca K O9 P3
• Calculated formula: Ca K O9 P3
• SMILES: [Ca+2].[K+].P1(=O)(OP(=O)(OP(=O)(O1)[O-])[O-])[O-]
• Title of publication: Calcium potassium cyclo-triphosphate
• Authors of publication: Malin Sandström; Dan Boström
• Journal of publication: Acta Crystallographica, Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 2
• Pages of publication: i15 - i17
• a: 6.809 ± 0.0003 Å
• b: 6.809 ± 0.0003 Å
• c: 10.376 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 416.61 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 188
• Hermann-Mauguin space group symbol: P -6 c 2
• Hall space group symbol: P -6c 2
• Residual factor for all reflections: 0.0248
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0556
• Weighted residual factors for all reflections included in the refinement: 0.056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No