A molecular bowl with barium ion covering one portal of decamethylcucurbit[5]uril as a‘metal-ion- bottom’has been synthesized. The structure of the molecular bowl has been confirmed by the single crystal X-ray diffraction determination. It belongs to orthorhombic with space group of Pna21. The crystal unit cell parameters are: a=3.2108(6) nm, b=1.4742(3) nm, c=1.1516(2) nm, and V=5.4509(18) nm3, Dc=1.677 Mg·m-3, Z=4, F(000)= 2832, R=0.0551, wR=0.1568. CCDC: 290552.
Several indium borophosphates have been reported recently,including K In[BP 2 O 8 (OH)]( Ⅰ )and NaIn[BP 2 O 8 (OH)]( Ⅱ ).The latter two compounds were synthesized under mild hydrothermal condit ions,and have the same molar ratio(M Ⅰ ∶In∶B∶P∶O∶H)in molecular formula but with different structure types.C ompound Ⅰ crystallizes in the triclinic system with space group P1(No.2), a =0.52638(4)nm, b =0.84791(5)nm, c =0.81469(9)nm,α=91.1741(7)°,β=93.061(7) °,γ=79.823(5)°, V =0.3573nm 3 ,Z=2;while compound Ⅱ possesses a monoclinic structure with space group P 2 1 / n (No.14)with a =0.5177(1)nm, b =1.6815(3)nm, c =0.7684(2)nm,β=94.10(3)°, V =0.6672(2)nm 3 ,Z=4.Eight-membered-ring and six-membered-ring are formed by alterna ting borate,phosphate tetrahedra and In-coordination octahedron sharing corner s via common oxygen atoms in compound Ⅰ and Ⅱ respectively.The polyhedra in the structure are oriented along certain dire ction to form alternating layered fragments.These two structure types can be co nsidered as intergrowth structures,which consist of the same layered fragments growing in different orientations.Other structure intergrowth possibilities are also expected in similar systems.CSD: Ⅰ ,409583; Ⅱ ,413343.
Crystals of a new 1,4-dimethyl cucurbituril(TMeQ6) with Silver(I) ion were synthesized, and the structure was determined by X-ray diffraction technique. There are two kinds of TMeQ6 A and B which formed molecular encapsulates with two silver ion lids in the self-assembled entities. One dimensional supramolecular tubes are formed from the encapsulates A, and two dimensional molecular sieves are formed from the encapsulates B, the tubes and the sieves stack together alternately in the self-assembled entities. CCDC: 271401.
