TY - JOUR
T1 - A novel 3D energetic coordination polymer containing Co(II) atoms in a pentanuclear cluster
AU - Wu, R. F.
AU - Shi, H. P.
AU - Zhang, J. R.
AU - Chang, F. F.
N1 - Publisher Copyright:
© 2015 Pleiades Publishing, Ltd.
PY - 2015/11/1
Y1 - 2015/11/1
N2 - A novel coordination polymer [Co5(OH)2(dnbpdc)4(H2O)6]·16H2O (1) (dnbpdc = 6,6′-dinitro-4,4′-biphenyldicarboxylic acid) is obtained from a hydrothermal reaction. The structure of complex 1 is characterized by elemental analysis, IR spectroscopy, and single crystal X-ray diffraction analysis. The title compound (C56H70Co5N8O56, M r = 2045.85) crystallizes in the triclinic space group P-1 with a = 11.9349(2) Å, b = 12.1895(2) Å, c = 15.420(2) Å, α = 109.390(7)°, β = 94.786(1)°, γ = 108.027(9)°, V = 1968.4(4) Å3, Z = 1, D c = 1.726 g/cm3, F(000) = 1045, μ(MoK α) = 1.154 mm-1, T = 133(2) K, the final R = 0.0316 and wR = 0.0692 for 7032 observed reflections with I > 2σ(I). The coordination polymer is built of a pentanuclear Co(II) cluster, four dnbpdc ligands, two hydroxyl groups, six coordination water and sixteen crystal water molecules. Ligand oxygen atoms exhibit three types of coordination modes (monodentate, syn-syn bridging bidentate and bridging tridentate). Moreover, the infinite three-dimensional supramolecular network is generated by coordination and hydrogen bonds. The thermal stability of complex 1 is evaluated by differential scanning calorimetry and thermogravimetric analysis.
AB - A novel coordination polymer [Co5(OH)2(dnbpdc)4(H2O)6]·16H2O (1) (dnbpdc = 6,6′-dinitro-4,4′-biphenyldicarboxylic acid) is obtained from a hydrothermal reaction. The structure of complex 1 is characterized by elemental analysis, IR spectroscopy, and single crystal X-ray diffraction analysis. The title compound (C56H70Co5N8O56, M r = 2045.85) crystallizes in the triclinic space group P-1 with a = 11.9349(2) Å, b = 12.1895(2) Å, c = 15.420(2) Å, α = 109.390(7)°, β = 94.786(1)°, γ = 108.027(9)°, V = 1968.4(4) Å3, Z = 1, D c = 1.726 g/cm3, F(000) = 1045, μ(MoK α) = 1.154 mm-1, T = 133(2) K, the final R = 0.0316 and wR = 0.0692 for 7032 observed reflections with I > 2σ(I). The coordination polymer is built of a pentanuclear Co(II) cluster, four dnbpdc ligands, two hydroxyl groups, six coordination water and sixteen crystal water molecules. Ligand oxygen atoms exhibit three types of coordination modes (monodentate, syn-syn bridging bidentate and bridging tridentate). Moreover, the infinite three-dimensional supramolecular network is generated by coordination and hydrogen bonds. The thermal stability of complex 1 is evaluated by differential scanning calorimetry and thermogravimetric analysis.
KW - coordination polymer
KW - energetic materials
KW - pentanuclear clusters
UR - http://www.scopus.com/inward/record.url?scp=84955495268&partnerID=8YFLogxK
U2 - 10.1134/S0022476615060177
DO - 10.1134/S0022476615060177
M3 - Article
AN - SCOPUS:84955495268
SN - 0022-4766
VL - 56
SP - 1136
EP - 1142
JO - Journal of Structural Chemistry
JF - Journal of Structural Chemistry
IS - 6
ER -