Information card for entry 2214072

Structure parameters

• Chemical name: poly[μ~2~-2,3,5,6-tetra-2-pyridyl-1,4-dihydropyrazine-μ- hexacosaoxidooctamolybdato-dicopper(II)]
• Formula: C12 H8 Cu Mo4 N3 O13
• Calculated formula: C12 H8 Cu Mo4 N3 O13
• Title of publication: A two-dimensional copper(II) molybdate, [{Cu~2~(tpyprz)}Mo~8~O~26~] (tpyprz is 2,3,5,6-tetra-2-pyridyl-1,4-dihydropyrazine)
• Authors of publication: Zubieta, Jon; Armatas, N. Gabriel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m1924 - m1924
• a: 9.992 ± 0.0007 Å
• b: 10.0882 ± 0.0007 Å
• c: 11.1708 ± 0.0008 Å
• α: 78.38 ± 0.008°
• β: 76.815 ± 0.009°
• γ: 65.419 ± 0.005°
• Cell volume: 989.75 ± 0.13 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0324
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0595
• Weighted residual factors for all reflections included in the refinement: 0.0621
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes