Lee H, Lynch V M, Cao G, Mallouk T E
Department of Chemistry, University of Texas, Austin 78712.
Acta Crystallogr C. 1988 Feb 15;44 ( Pt 2):365-7.
Bis(hydrogen diphenylmethylphosphonato)-magnesium octahydrate, [Mg(C13H12O3P)2].8H2O. Mr = 662.85, triclinic, P1, a = 6.1051 (15), b = 8.8308(14), c = 15.312(3) A, alpha = 78.514(13), beta = 83.993(11), gamma = 75.772(15) degrees, V = 782.8(3) A3, Z = 1, Dx = 1.41 g cm-3 (163 K), Mo K alpha, lambda = 0.71069 A, mu = 2.171 cm-1, F(000) = 350, T = 163 K, R = 0.0351 for 3749 reflections [F0 greater than or equal to 4 sigma(F0)]. The structure consists of alternating polar and nonpolar layers stacked along the crystallographic c axis. The polar layers contain Mg(H2O)26+ ions, water of hydration and the phosphonate O atoms, and the nonpolar layers contain the benzhydryl groups. Two-dimensional hydrogen-bonding networks link Mg(H2O)26+ and the water of hydration to the phosphonate O atoms. The shortest hydrogen bonds in the structure, 1.68(2) A, connect the P-OH H atom and the water of hydration. Slightly longer contacts [1.79(2), 1.85(2), 1.91(2), 1.92(2) A] connect the phosphonate O atoms (O1 and O3) to the H atoms of the Mg(H2O)26+ group. The coordination environment of the Mg atom is a very nearly regular octahedron of water O atoms.
八水合双（二苯基甲基膦酸氢根）镁，[Mg(C₁₃H₁₂O₃P)₂]·8H₂O。相对分子质量Mr = 662.85，三斜晶系，P1空间群，a = 6.1051(15) Å，b = 8.8308(14) Å，c = 15.312(3) Å，α = 78.514(13)°，β = 83.993(11)°，γ = 75.772(15)°，晶胞体积V = 782.8(3) ų，Z = 1，晶体密度Dx = 1.41 g/cm³(163 K)，钼Kα射线，λ = 0.71069 Å，线性吸收系数μ = 2.171 cm⁻¹，F(000) = 350，温度T = 163 K，对3749个反射[F0≥4σ(F0)]的R值为0.0351。该结构由沿晶轴c堆叠的交替极性和非极性层组成。极性层包含Mg(H₂O)₂⁶⁺离子、结晶水和膦酸酯O原子，非极性层包含二苯甲基基团。二维氢键网络将Mg(H₂O)₂⁶⁺和结晶水与膦酸酯O原子相连。结构中最短的氢键为1.68(2) Å，连接P - OH H原子和结晶水。稍长的接触距离[1.79(2)、1.85(2)、1.91(2)、1.92(2) Å]将膦酸酯O原子（O1和O3）与Mg(H₂O)₂⁶⁺基团的H原子相连。Mg原子的配位环境是由水O原子构成的非常接近规则的八面体。
