caa a22 4500 469059419 CHVBK 20180323132852.0 cr unu---uuuuu 170328e19920501xx s 000 0 eng 10.1007/BF01076666 doi (NATIONALLICENCE)springer-10.1007/BF01076666 Peculiarities of the crystal structure and packing of the host and guest molecules in the [M(4-McPy)4(NCS)2]·0.67(4-McPy)·0.33 H2O Clathrates (M [Elektronische Daten] Cu(II), Mn(II); 4-MePy = 4-Methylpyridine) [N. Pervukhina, N. Podberezskaya, I. Davydova, N. Kislykh, Yu. Dyadin] The crystal structures of the two clathrates with the composition [M(4-MePy)4(NCS)2]·0.67(4-McPy)·0.33 H2O (M=Cu(II), Mn(II); 4-MePy=4-methylpyridine) have been determined. These compounds are trigonal, with the [M(4-MePy)4(NCS)2] host molecules being centrosymmetric. The parameters of the unit cells area = 27.365(7) and 27.738(6),c = 11.303(9) and 11.250(8) Å,V = 7325(2) and 7493(2) Å3, space group R $$\bar 3$$ , R = 0.053 and 0.109 for M = Cu(II) and Mn(II), respectively. ForZ = 9d calcd is equal to 1.271 and 1.225 g/cm3, andd measd is equal to 1.252(2) and 1.213(2) g/cm3 for the Cu and Mn clathrates, respectively. The coordination environment of the metal atoms in these compounds is an irregular octahedron, while in the Mn compound these distortions are rather small (Mn-NMePy 2.30, 2.34 Å, Mn-NNCS 2.18 Å, and Cu-NMePy 2.06 Å, Cu-NNCS 1.98 Å and Cu-NMePy 2.50 Å). The molecular packing in the structures is such that the channels of variable diameter are formed along the short cell dimension (the maximum diameter is ≅ 10 Å, the minimum being ≅ 6 Å) where the guest 4-MePy and H2O molecules are placed. Kluwer Academic Publishers, 1992 Crystal structure nationallicence clathrate nationallicence 4-methylpyridine nationallicence Cu(II) nationallicence Mn(II) nationallicence Pervukhina N. Institute of Inorganic Chemistry, Novosibirsk, U.S.S.R. aut Podberezskaya N. Institute of Inorganic Chemistry, Novosibirsk, U.S.S.R. aut Davydova I. Institute of Inorganic Chemistry, Novosibirsk, U.S.S.R. aut Kislykh N. Institute of Inorganic Chemistry, Novosibirsk, U.S.S.R. aut Dyadin Yu Institute of Inorganic Chemistry, Novosibirsk, U.S.S.R. aut Journal of inclusion phenomena and molecular recognition in chemistry Kluwer Academic Publishers 13/1(1992-05-01), 9-16 0923-0750 13:1<9 1992 13 10847 https://doi.org/10.1007/BF01076666 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/BF01076666 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Pervukhina N. Institute of Inorganic Chemistry, Novosibirsk, U.S.S.R aut NATIONALLICENCE 700 1- Podberezskaya N. Institute of Inorganic Chemistry, Novosibirsk, U.S.S.R aut NATIONALLICENCE 700 1- Davydova I. Institute of Inorganic Chemistry, Novosibirsk, U.S.S.R aut NATIONALLICENCE 700 1- Kislykh N. Institute of Inorganic Chemistry, Novosibirsk, U.S.S.R aut NATIONALLICENCE 700 1- Dyadin Yu Institute of Inorganic Chemistry, Novosibirsk, U.S.S.R aut NATIONALLICENCE 773 0- Journal of inclusion phenomena and molecular recognition in chemistry Kluwer Academic Publishers 13/1(1992-05-01), 9-16 0923-0750 13:1<9 1992 13 10847 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer