A novel complex of a new 1,4-dicyclohexyl cucurbituril(DCYQ6) with sodium(I) ion was synthesized, and the crystal structure was determined by X-ray diffraction technique. In this self-assembled entity both the cavity ...A novel complex of a new 1,4-dicyclohexyl cucurbituril(DCYQ6) with sodium(I) ion was synthesized, and the crystal structure was determined by X-ray diffraction technique. In this self-assembled entity both the cavity interaction of DCYQ6 included a nitrate anion and the portal interaction of the dipole carbonyls of DCYQ6 with sodium cations lead to form self assembled molecular capsules. The crystal structure of the entity shows a packing of the self assembled molecular capsules connected by hydrogen bonds of water molecules. CCDC: 271400.展开更多
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 diffr...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.展开更多
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 enca...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.展开更多
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 sam...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.展开更多
VPO polymer β NH 4(VO 2)(HPO 4) was synthesized from the mixture of NH 4VO 3 and NH 4H 2PO 4 in aqueous acidic solution. This hydrogenphosphate vanadate crystallizes in the orthorhombic space group Pbca with a=0.680 ...VPO polymer β NH 4(VO 2)(HPO 4) was synthesized from the mixture of NH 4VO 3 and NH 4H 2PO 4 in aqueous acidic solution. This hydrogenphosphate vanadate crystallizes in the orthorhombic space group Pbca with a=0.680 60(8) nm, b=0.925 70(5) nm, c=1.773 70(2) nm, V=1.117 5(3) nm 3, Z=8, D c=1.743 g·cm -3 , μ=88.54 cm -1 and R=0.051. The structure is built up from VO 5 square pyramid linked by trans vertices through the bridged oxygen atom to form an one dimensional isolated chain of {VO 2HPO 4} n- nunning along the a axis.展开更多
文摘A novel complex of a new 1,4-dicyclohexyl cucurbituril(DCYQ6) with sodium(I) ion was synthesized, and the crystal structure was determined by X-ray diffraction technique. In this self-assembled entity both the cavity interaction of DCYQ6 included a nitrate anion and the portal interaction of the dipole carbonyls of DCYQ6 with sodium cations lead to form self assembled molecular capsules. The crystal structure of the entity shows a packing of the self assembled molecular capsules connected by hydrogen bonds of water molecules. CCDC: 271400.
文摘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.
文摘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.
文摘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.
文摘VPO polymer β NH 4(VO 2)(HPO 4) was synthesized from the mixture of NH 4VO 3 and NH 4H 2PO 4 in aqueous acidic solution. This hydrogenphosphate vanadate crystallizes in the orthorhombic space group Pbca with a=0.680 60(8) nm, b=0.925 70(5) nm, c=1.773 70(2) nm, V=1.117 5(3) nm 3, Z=8, D c=1.743 g·cm -3 , μ=88.54 cm -1 and R=0.051. The structure is built up from VO 5 square pyramid linked by trans vertices through the bridged oxygen atom to form an one dimensional isolated chain of {VO 2HPO 4} n- nunning along the a axis.
