This paper describes the synthesis of {bis(3,5-dimethyl-3H-1,2,4-triazole)octamolybdate}(2:1) molecule by mixing bis(acetylacetonato)dioxo molybdenum(VI) and 3-(E)-{1-(furan-2-yl)ethylidene)amino]-1-phenylurea. The structure of the molecule was determined by using single crystal X-ray diffraction technique. Structure determination reveals that the title complex Mo₈O₂₆.2(C₄H₉N₃) contains two moieties namely an octamolybdate [Mo₈O₂₆] complex, and 3,5-dimethyl-1,2,4-triazole [2(C₄H₉N₃)] in the unit cell. The [Mo₈O₂₆] unit consists of two {Mo₄O₁₃} subunits linked together by bridging oxygen atoms with an approximate C_2h symmetry under Triclinic system, P  space group with lattice parameters a = 10.1007(2), b = 10.3887(2), c = 13.0380(3) Å, α = 66.921(3) β = 69.466(3) γ = 62.892(2)°. The octamolybdate units are linked by methylmethanamine as chains via N-H…O interactions. The ¹H-¹H COSY NMR recorded in DMSO-d₆ spectral data indicates the absence of the coupling between the protons. The thermal analysis indicates that the complex is thermally stable. The Hirshfeld surface of the compound mapped with d_norm (-1.0 a.u. to 1.0 a.u.) and the deep red spot on the Hirshfeld surface depicts the formation of strong N-H···O hydrogen bond.

中文翻译：

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双(3,5-二甲基-3H-1,2,4-三唑)八钼酸盐的合成、晶体结构、热分析和分子相互作用

本文描述了通过混合双（乙酰丙酮）二氧钼（VI）和 3-（E）合成{双（3,5-二甲基-3H-1,2,4-三唑）八钼酸盐}（2:1）分子-{1-(呋喃-2-基)亚乙基)氨基]-1-苯基脲。通过使用单晶X射线衍射技术确定分子的结构。结构测定表明，标题配合物 Mo ₈ O ₂₆ .2(C ₄ H ₉ N ₃ ) 包含两个部分，即八钼酸盐 [Mo ₈ O ₂₆ ] 配合物和 3,5-二甲基-1,2,4-三唑 [ 2(C ₄ H ₉ N ₃ )] 在晶胞中。[Mo ₈ O ₂₆] 单元由两个 {Mo ₄ O ₁₃ } 亚单元组成，通过桥接氧原子连接在一起，在三斜晶系下具有近似 C _2h对称性，P  空间群具有晶格参数a = 10.1007(2), b = 10.3887(2), c = 13.0380(3) Å, α = 66.921(3) β = 69.466(3 ) γ = 62.892(2)°。八钼酸单元通过 NH…O 相互作用由甲胺连接成链。在 DMSO-d _{6 中}记录的¹ H- ¹ H COZY NMR光谱数据表明质子之间不存在耦合。热分析表明该配合物是热稳定的。化合物的 Hirshfeld 表面以d_范数（-1.0 au 到 1.0 au）绘制，Hirshfeld 表面上的深红色斑点描绘了强 NH…O 氢键的形成。