Information card for entry 2225400

Structure parameters

• Chemical name: Bis{tris[3-(2-pyridyl)-1<i>H</i>-pyrazole]iron(II)} dodecamolybdo(V,VI)phosphate hexahydrate
• Formula: C48 H54 Fe2 Mo12 N18 O46 P
• Calculated formula: C48 H42 Fe2 Mo12 N18 O46 P
• Title of publication: Bis{tris[3-(2-pyridyl)-1<i>H</i>-pyrazole]iron(II)} dodecamolybdo(V,VI)phosphate hexahydrate
• Authors of publication: Hao, Lujiang; Liu, Tongjun; Chen, Jiangkui; Zhang, Xiaofei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: m283 - m284
• a: 18.6816 ± 0.001 Å
• b: 16.2224 ± 0.001 Å
• c: 27.6405 ± 0.0015 Å
• α: 90°
• β: 104.295 ± 0.001°
• γ: 90°
• Cell volume: 8117.4 ± 0.8 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: 0.0568
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1421
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes