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    Abstract:
    Abstract We report here the synthesis, crystal structure and Electron Paramagnetic Resonance (EPR) studies of the compound bis[1,3-di(p-n-octylphenyl)propane-1,3-dionato]oxovanadium(IV) abbreviated as C8(VO)C8. The molecular crystalline properties of this compound are dealt with in this paper. The compound crystallizes in the triclinic, P1 space group with a = 11.956(4), b = 15.802(5), c = 16.293(4) Å, α = 103.22(2), β = 110.61(2), and γ = 90.88(3); Z=2. The two vanadium centers are crystallographically equivalent and the shortest V-V bond distance is 9.5803 Å. The hyperfine splitting pattern in single crystal EPR spectrum clearly shows the presence of weak pair-wise magnetic interaction. The splitting originates in a combination of hyperfine and fine structure caused by dipolar and exchange coupling of nearest-neighboring molecules related by inversion through the unit cell origin. The sign and the value of the exchange coupling constant, J = + 30 G, was determined by simulation of EPR spectra. The principal g and A values obtained are g| = 1.934 and g⊥ = 1.982, A| = 192 G and A⊥ = 69 G.
    Keywords:
    Triclinic crystal system
    C12H15N7O2, M = 546.59, triclinic space group P[unk], a = 7.578(2), b = 9.082(3), c = 11.966(1) Å, α = 99.49(2), β = 90.84(2), γ = 114.34(3)°, Z = 2, V = 737(1) Å3, Dx = 1.303 g/cm−3, λ = 0.71069 Å, μ = 0.9 cm−1, F(000) = 304. The crystal structure was determined by direct methods and refined by least-squares procedure to a discrepancy factor R = 0.040 (Rw = 0.037).
    Triclinic crystal system
    Crystal (programming language)
    The crystal structure of calcioaravaipaite, PbCa2Al(F,OH)9, was initially solved by direct methods in the monoclinic space group A2/m (R = 12.4%). Further study demonstrated the OD nature of the structure, and showed that the crystal was twinned. The structure was solved in the triclinic space group C1̅ , a = 7.722(3), b = 7.516(3), c = 12.206(4) Å, α = 98.86(1), β = 96.91(1), γ = 90.00(1)°, V = 694.8(3) Å3, Z = 4, yielding R = 5.1% for 1420 reflections with Fo > 4σ(Fo).
    Triclinic crystal system
    Monoclinic crystal system
    Crystal (programming language)
    Citations (2)