caa a22 4500 463239628 CHVBK 20180405153308.0 cr unu---uuuuu 170326e20070501xx s 000 0 eng 10.1007/s10947-007-0077-x doi (NATIONALLICENCE)springer-10.1007/s10947-007-0077-x X-ray structural study of fluorinated β-diketonate complexes of zirconium(IV) [Elektronische Daten] [K. Zherikova, N. Morozova, N. Kurat'eva, I. Baidina, P. Stabnikov, I. Igumenov] Three novel complexes of zirconium(IV) are prepared and characterized by single crystal X-ray diffraction: zirconium(IV) pivaloyltrifluoroacetonate Zr(ptac)4, zirconium(IV) trifluoroacetylacetonate Zr(tfac)4, and zirconium(IV) hexafluoroacetylacetonate Zr(hfac)4. Crystal data for C32H40F12ZrO8: a = 19.9842(6) Å, b = 11.8417(3) Å, c = 16.4831(5) Å; β = 95.2880(10)°, monoclinic, space group Cc, Z = 4, d calc = 1.491 g/cm3, R = 0.061. Crystal data for C20H16F12ZrO8: a = 21.5063(15) Å, b = 7.9511(5) Å, c = 16.0510(10) Å; β = 113.736(4)°, monoclinic, space group C2/c, Z = 4, d calc = 1.860 g/cm3, R = 0.047. Crystal data for C20H4F24ZrO8: a = 15.3533(13) Å, b = 20.2613(15) Å, c = 19.6984(17) Å; β = 95.828(2)°, monoclinic, space group P21/c, Z = 2, d calc = 2.004 g/cm3, R = 0.078. All the structures are molecular and include isolated mononuclear Zr(β-dik)4 complex molecules. Coordination environment of zirconium atom is made by eight oxygen atoms of four β-diketonates; the coordination polyhedron is an almost regular square antiprism. The Zr-O distances fall within 2.14-2.23 Å. Complexes in the structures are joined by van der Waals interactions. Using the structural data, the van der Waals energies of crystal lattices of the studied compounds are calculated by the atom-atom potential method. Springer Science+Business Media, Inc., 2007 zirconium(IV) β-diketonates nationallicence crystal structure nationallicence mononuclear complex nationallicence energy of intermolecular interactions nationallicence Zherikova K. A. V. Nikolaev Institute of Inorganic Chemistry, Siberian Division, Russian Academy of Sciences, Novosibirsk aut Morozova N. A. V. Nikolaev Institute of Inorganic Chemistry, Siberian Division, Russian Academy of Sciences, Novosibirsk aut Kurat'eva N. A. V. Nikolaev Institute of Inorganic Chemistry, Siberian Division, Russian Academy of Sciences, Novosibirsk aut Baidina I. A. V. Nikolaev Institute of Inorganic Chemistry, Siberian Division, Russian Academy of Sciences, Novosibirsk aut Stabnikov P. A. V. Nikolaev Institute of Inorganic Chemistry, Siberian Division, Russian Academy of Sciences, Novosibirsk aut Igumenov I. A. V. Nikolaev Institute of Inorganic Chemistry, Siberian Division, Russian Academy of Sciences, Novosibirsk aut Journal of Structural Chemistry Springer US 48/3(2007-05-01), 513-522 0022-4766 48:3<513 2007 48 10947 https://doi.org/10.1007/s10947-007-0077-x text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s10947-007-0077-x text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Zherikova K. A. V. Nikolaev Institute of Inorganic Chemistry, Siberian Division, Russian Academy of Sciences, Novosibirsk aut NATIONALLICENCE 700 1- Morozova N. A. V. Nikolaev Institute of Inorganic Chemistry, Siberian Division, Russian Academy of Sciences, Novosibirsk aut NATIONALLICENCE 700 1- Kurat'eva N. A. V. Nikolaev Institute of Inorganic Chemistry, Siberian Division, Russian Academy of Sciences, Novosibirsk aut NATIONALLICENCE 700 1- Baidina I. A. V. Nikolaev Institute of Inorganic Chemistry, Siberian Division, Russian Academy of Sciences, Novosibirsk aut NATIONALLICENCE 700 1- Stabnikov P. A. V. Nikolaev Institute of Inorganic Chemistry, Siberian Division, Russian Academy of Sciences, Novosibirsk aut NATIONALLICENCE 700 1- Igumenov I. A. V. Nikolaev Institute of Inorganic Chemistry, Siberian Division, Russian Academy of Sciences, Novosibirsk aut NATIONALLICENCE 773 0- Journal of Structural Chemistry Springer US 48/3(2007-05-01), 513-522 0022-4766 48:3<513 2007 48 10947 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer