Information card for entry 2225366

Structure parameters

• Chemical name: Tris(piperazinediium) phosphatododecamolybdo(V,VI)phosphate
• Formula: C12 H36 Mo12 N6 O40 P
• Calculated formula: C12 H36 Mo12 N6 O40 P
• Title of publication: Tris(piperazinediium) phosphatododecamolybo(V,VI)phosphate
• Authors of publication: Lu, Yu-kun; Xu, Ji-qing; Yu, Hai-hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: m263 - m264
• a: 17.89 ± 0.003 Å
• b: 17.89 ± 0.003 Å
• c: 23.6 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6541 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0207
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.0524
• Weighted residual factors for all reflections included in the refinement: 0.0528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes