caa a22 4500 475759966 CHVBK 20180406123547.0 cr unu---uuuuu 170329e20001201xx s 000 0 eng 10.1023/A:1009524025644 doi (NATIONALLICENCE)springer-10.1023/A:1009524025644 Molecular and crystal structure of the clathrochelate complex FeDm3(BF)2⋅C6H6 and parameters of its 57Fe Mossbauer spectra [Elektronische Daten] [I. Vorontsov, K. Lysenko, K. Potekhin, M. Antipin, Ya. Voloshin, E. Pol'shin, O. Varzatskii] The molecular and crystal structure of the macrobicyclic complex FeDm3(BF)2⋅C6H6 was established by X-ray diffraction analysis at 138, 208, and 291 K. The X-ray diffraction data were compared with the 57Fe Mossbauer spectral parameters of this complex in the temperature range of 135-290 K. A substantial disagreement between the experimental values of quadrupole splitting and the corresponding values calculated based on the concept of partial quadrupole splitting was attributed to the displacement of the Fe atom from the center of the cavity of the macrobicyclic ligand and to the distortion of the axial symmetry of the electron density distribution about the metal atom. Plenum Publishing Corporation, 2000 clathrochelate complexes nationallicence iron(ii) nationallicence 57Fe Mossbauer spectra nationallicence X-ray diffraction study nationallicence molecular structure nationallicence temperature dependences nationallicence electron density distribution nationallicence Vorontsov I. A. N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, 28 ul. Vavilova, 117813, Moscow, Russian Federation aut Lysenko K. A. N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, 28 ul. Vavilova, 117813, Moscow, Russian Federation aut Potekhin K. A. N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, 28 ul. Vavilova, 117813, Moscow, Russian Federation aut Antipin M. A. N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, 28 ul. Vavilova, 117813, Moscow, Russian Federation aut Voloshin Ya L. Ya. Karpov Institute of Physical Chemistry,", State Research Center of the Russian Federation ", 10 ul. Vorontsovo Pole, 103064, Moscow, Russian Federation aut Pol'shin E. Institute of Geochemistry, Mineralogy, and Ore Formation, National Academy of Sciences of Ukraine, 34 ul. Palladina, 252149, Kiev, Ukraine aut Varzatskii O. L. Ya. Karpov Institute of Physical Chemistry,", State Research Center of the Russian Federation ", 10 ul. Vorontsovo Pole, 103064, Moscow, Russian Federation aut Russian Chemical Bulletin Kluwer Academic Publishers-Plenum Publishers 49/12(2000-12-01), 2018-2026 1066-5285 49:12<2018 2000 49 11172 https://doi.org/10.1023/A:1009524025644 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1023/A:1009524025644 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Vorontsov I. A. N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, 28 ul. Vavilova, 117813, Moscow, Russian Federation aut NATIONALLICENCE 700 1- Lysenko K. A. N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, 28 ul. Vavilova, 117813, Moscow, Russian Federation aut NATIONALLICENCE 700 1- Potekhin K. A. N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, 28 ul. Vavilova, 117813, Moscow, Russian Federation aut NATIONALLICENCE 700 1- Antipin M. A. N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, 28 ul. Vavilova, 117813, Moscow, Russian Federation aut NATIONALLICENCE 700 1- Voloshin Ya L. Ya. Karpov Institute of Physical Chemistry,", State Research Center of the Russian Federation ", 10 ul. Vorontsovo Pole, 103064, Moscow, Russian Federation aut NATIONALLICENCE 700 1- Pol'shin E. Institute of Geochemistry, Mineralogy, and Ore Formation, National Academy of Sciences of Ukraine, 34 ul. Palladina, 252149, Kiev, Ukraine aut NATIONALLICENCE 700 1- Varzatskii O. L. Ya. Karpov Institute of Physical Chemistry,", State Research Center of the Russian Federation ", 10 ul. Vorontsovo Pole, 103064, Moscow, Russian Federation aut NATIONALLICENCE 773 0- Russian Chemical Bulletin Kluwer Academic Publishers-Plenum Publishers 49/12(2000-12-01), 2018-2026 1066-5285 49:12<2018 2000 49 11172 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer