Information card for entry 2225138

Structure parameters

• Chemical name: Bis{tris[3-(2-pyridyl)-1<i>H</i>-pyrazole]manganese(II)} dodecamolybdo(V,VI)phosphate hexahydrate
• Formula: C48 H54 Mn2 Mo12 N18 O46 P
• Calculated formula: C48 H42 Mn2 Mo12 N18 O46 P
• Title of publication: Bis{tris[3-(2-pyridyl)-1<i>H</i>-pyrazole]manganese(II)} dodecamolybdo(V,VI)phosphate hexahydrate
• Authors of publication: Hao, Lujiang; Ma, Chunling; Chen, Jianghui; Zhang, Xiaofei; Zhang, Xiutang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: m231 - m232
• a: 18.897 ± 0.004 Å
• b: 16.36 ± 0.003 Å
• c: 27.615 ± 0.006 Å
• α: 90°
• β: 104.9 ± 0.03°
• γ: 90°
• Cell volume: 8250 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0449
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes