Information card for entry 2016996

Structure parameters

• Chemical name: poly[[(μ-3,5-di-3-pyridyl-1,2,4-triazole)tri-μ~3~-oxido-tetra-μ~2~-oxido- oxidodicobalt(II)dimolybdenum(VI)] monohydrate]
• Formula: C12 H11 Co2 Mo2 N5 O9
• Calculated formula: C12 H11 Co2 Mo2 N5 O9
• Title of publication: A three-dimensional hybrid framework based on novel [Co~4~Mo~4~] bimetallic oxide clusters with 3,5-bis(3-pyridyl)-1,2,4-triazole ligands
• Authors of publication: Zhai, Quan-Guo; Li, Shu-Ni; Hu, Man-Cheng; Jiang, Yu-Cheng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: m128 - m130
• a: 6.9999 ± 0.0003 Å
• b: 9.3318 ± 0.0004 Å
• c: 14.2802 ± 0.0012 Å
• α: 85.341 ± 0.011°
• β: 84.805 ± 0.011°
• γ: 75.127 ± 0.009°
• Cell volume: 896.22 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes