Information card for entry 2223252

Structure parameters

• Chemical name: Tetra-μ-oxido-tetrakis{dioxido[3-(2-pyridyl)-1<i>H</i>-pyrazole]molybdenum(VI)}
• Formula: C32 H28 Mo4 N12 O12
• Calculated formula: C32 H28 Mo4 N12 O12
• SMILES: c1cc2c3cccc[n]3[Mo]3([n]2[nH]1)(O[Mo]1([n]2c(cc[nH]2)c2cccc[n]12)(O[Mo]1([n]2c(cc[nH]2)c2cccc[n]12)(O[Mo]1([n]2c(cc[nH]2)c2cccc[n]12)(O3)(=O)=O)(=O)=O)(=O)=O)(=O)=O
• Title of publication: Tetra-μ-oxido-tetrakis{dioxido[3-(2-pyridyl)-1<i>H</i>-pyrazole]molybdenum(VI)}
• Authors of publication: Li, Dacheng; Liu, Ying; Wei, Peihai; Hu, Bo; Zhang, Xiutang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: m1074
• a: 14.4412 ± 0.0016 Å
• b: 14.4412 ± 0.0016 Å
• c: 9.094 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1896.5 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes