Compound [Co 3(BTC)(HBTC)(H 2BTC)(C 2H 4O 2) 3]·3(DMF)·6(H 3O) was synthesized under mild conditions and its crystal structure was determined by using single crystal X-ray diffraction. The crystal structure ...Compound [Co 3(BTC)(HBTC)(H 2BTC)(C 2H 4O 2) 3]·3(DMF)·6(H 3O) was synthesized under mild conditions and its crystal structure was determined by using single crystal X-ray diffraction. The crystal structure was solved by direct method and refined by full-matrix least-square method. The crystal is monoclinic and belongs to space group Cc with a=2.645 3(5) nm, b= 1.670 4(3) nm, c=1\^821 6(4) nm, β=128.16(3) °, V=6.329(2) nm 3, Z=2 , D c=20.200 Mg/m 3, M r= 1 314.744, μ=10.274 mm -1, F(000) =38 226, GOF=0.99, R=0.094 1, ωR=0.257 3.展开更多
A 3-D inorganic-organic hybrid framework microporous material [Co 3(BDC) 3(EG) 4]·2DMF was synthesized under mild conditions and its crystal structure was determined by using single crystal X-ray diffraction. The...A 3-D inorganic-organic hybrid framework microporous material [Co 3(BDC) 3(EG) 4]·2DMF was synthesized under mild conditions and its crystal structure was determined by using single crystal X-ray diffraction. The crystal structure was solved by a direct method and refined by full-matrix least-square method. The crystal is the triclinic system and belongs to space group P-1 with a=9.978(2) nm, b=11.223(2) nm, c=11.283(2) nm, α=102.26(3)°, β=113.52(3)°, γ=92.73(3)°, V=6.329(2) nm 3, Z=1, D c=1.565 Mg/m 3, M r=1 063.59, μ=1.183 mm -1, F(000)=541, GOF=1.024, R=0.044 2, wR=0.124 9.展开更多
The title compound Mn 3(BTC) 2(DMF) 4 (BTC=1,3,5-benzenetricarboxylic acid,DMF=dimethyl formamide) was synthesized under the mild conditions and its crystal structure was determined by single crystal X-ray diffraction...The title compound Mn 3(BTC) 2(DMF) 4 (BTC=1,3,5-benzenetricarboxylic acid,DMF=dimethyl formamide) was synthesized under the mild conditions and its crystal structure was determined by single crystal X-ray diffraction. The compound crystallizes in the monoclinic system and belongs to space group P2 1/c with a =1.787 6(4) nm, b =1.179 7(2) nm, c =1.884 8(4) nm, β =116.35(3)°, V = 3.561 9(12) nm 3, Z =4, D c=7.413 Mg/m 3, M r=871.43, μ =5.081 mm -1 , F (000)=8 082, R = 0.045 6 , wR =0.106 3. Its structure reveals that each asymmetric unit of the title polymer contains three Mn(Ⅱ) ions,six BTC and four DMF ligands. The coordination of BTC ligands with Mn(Ⅱ) ions forms a 3D infinite framework having helical chains composed with 2 1 axes and about 0.6 nm× 0.8 nm channels along the [100] direction.展开更多
The title compound [Zn3（BTC）2（H2O）3]n（BTC=1,3,5-benzenetricarboxylic acid） was synthesized under mild conditions and its crystal structure was determined by single crystal X-ray diffraction. The compound crystal...The title compound [Zn3（BTC）2（H2O）3]n（BTC=1,3,5-benzenetricarboxylic acid） was synthesized under mild conditions and its crystal structure was determined by single crystal X-ray diffraction. The compound crystallizes in the cubic system and belongs to space group Fm-3m with a=2.662 6（3） nm ,V=18.877（4） nm 3,Z=16,Dc=1.51 g/cm 3,Mr=664.4,μ=0.198 mm -1 , F（000）=852 ,R=0.062 5,wR=0.129 4. Its structure reveals that the title polymer is composed of dimeric zinc tetracarboxylate units,with a short Zn-Zn internuclear separation of 0.295 0（4） nm. The coordination of BTC ligands with Zn ions forms a 3D infinite framework with about 1.117 4 nm×1.327 4 nm pores along the [001],[100] and [010] direction. [WT5HZ]展开更多
The title compound Mn 3(BTC) 2(bpy)(EG)(DMF)·(DMF)·1/3(C 2H 5OH)(BTC=1,3,5-benzenetricarboxylic acid, bpy=4,4′-bipyridine, EG=ethylene glycol, DMF=dimethylformamide) was synthesized under mild conditions an...The title compound Mn 3(BTC) 2(bpy)(EG)(DMF)·(DMF)·1/3(C 2H 5OH)(BTC=1,3,5-benzenetricarboxylic acid, bpy=4,4′-bipyridine, EG=ethylene glycol, DMF=dimethylformamide) was synthesized under mild conditions and its crystal structure was determined by single crystal X-ray diffraction. The compound crystallizes in the monoclinic system and belongs to space group P2 1/n with a= 1.637 2(3) nm, b=1.481 4(3) nm, c=1.838 4(4) nm, β=113.70(3)°, V=4.082 5(14) nm 3, Z=4, D c=1.508 Mg/m 3, M r=958.85, μ=1.001 mm -1, F(000)=1 920. R 1=0.098 5, wR 2= 0.218 3. Its structure reveals that Mn(Ⅱ) centers and the carboxylate groups of BTC construct 1D O—C—O—Mn chains. Then, adjacent chains are interlinked by benzene rings of BTC to form a novel 3D architecture. It contains eight-membered rings channels that are about 0.8 nm×0.8 nm viewed along the (101) direction. In addition, it is believed that the bpy acts as both an organic ligand and a structure-directing agent in the synthesis of the title compound.展开更多
文摘Compound [Co 3(BTC)(HBTC)(H 2BTC)(C 2H 4O 2) 3]·3(DMF)·6(H 3O) was synthesized under mild conditions and its crystal structure was determined by using single crystal X-ray diffraction. The crystal structure was solved by direct method and refined by full-matrix least-square method. The crystal is monoclinic and belongs to space group Cc with a=2.645 3(5) nm, b= 1.670 4(3) nm, c=1\^821 6(4) nm, β=128.16(3) °, V=6.329(2) nm 3, Z=2 , D c=20.200 Mg/m 3, M r= 1 314.744, μ=10.274 mm -1, F(000) =38 226, GOF=0.99, R=0.094 1, ωR=0.257 3.
文摘A 3-D inorganic-organic hybrid framework microporous material [Co 3(BDC) 3(EG) 4]·2DMF was synthesized under mild conditions and its crystal structure was determined by using single crystal X-ray diffraction. The crystal structure was solved by a direct method and refined by full-matrix least-square method. The crystal is the triclinic system and belongs to space group P-1 with a=9.978(2) nm, b=11.223(2) nm, c=11.283(2) nm, α=102.26(3)°, β=113.52(3)°, γ=92.73(3)°, V=6.329(2) nm 3, Z=1, D c=1.565 Mg/m 3, M r=1 063.59, μ=1.183 mm -1, F(000)=541, GOF=1.024, R=0.044 2, wR=0.124 9.
文摘The title compound Mn 3(BTC) 2(DMF) 4 (BTC=1,3,5-benzenetricarboxylic acid,DMF=dimethyl formamide) was synthesized under the mild conditions and its crystal structure was determined by single crystal X-ray diffraction. The compound crystallizes in the monoclinic system and belongs to space group P2 1/c with a =1.787 6(4) nm, b =1.179 7(2) nm, c =1.884 8(4) nm, β =116.35(3)°, V = 3.561 9(12) nm 3, Z =4, D c=7.413 Mg/m 3, M r=871.43, μ =5.081 mm -1 , F (000)=8 082, R = 0.045 6 , wR =0.106 3. Its structure reveals that each asymmetric unit of the title polymer contains three Mn(Ⅱ) ions,six BTC and four DMF ligands. The coordination of BTC ligands with Mn(Ⅱ) ions forms a 3D infinite framework having helical chains composed with 2 1 axes and about 0.6 nm× 0.8 nm channels along the [100] direction.
文摘The title compound [Zn3（BTC）2（H2O）3]n（BTC=1,3,5-benzenetricarboxylic acid） was synthesized under mild conditions and its crystal structure was determined by single crystal X-ray diffraction. The compound crystallizes in the cubic system and belongs to space group Fm-3m with a=2.662 6（3） nm ,V=18.877（4） nm 3,Z=16,Dc=1.51 g/cm 3,Mr=664.4,μ=0.198 mm -1 , F（000）=852 ,R=0.062 5,wR=0.129 4. Its structure reveals that the title polymer is composed of dimeric zinc tetracarboxylate units,with a short Zn-Zn internuclear separation of 0.295 0（4） nm. The coordination of BTC ligands with Zn ions forms a 3D infinite framework with about 1.117 4 nm×1.327 4 nm pores along the [001],[100] and [010] direction. [WT5HZ]
文摘The title compound Mn 3(BTC) 2(bpy)(EG)(DMF)·(DMF)·1/3(C 2H 5OH)(BTC=1,3,5-benzenetricarboxylic acid, bpy=4,4′-bipyridine, EG=ethylene glycol, DMF=dimethylformamide) was synthesized under mild conditions and its crystal structure was determined by single crystal X-ray diffraction. The compound crystallizes in the monoclinic system and belongs to space group P2 1/n with a= 1.637 2(3) nm, b=1.481 4(3) nm, c=1.838 4(4) nm, β=113.70(3)°, V=4.082 5(14) nm 3, Z=4, D c=1.508 Mg/m 3, M r=958.85, μ=1.001 mm -1, F(000)=1 920. R 1=0.098 5, wR 2= 0.218 3. Its structure reveals that Mn(Ⅱ) centers and the carboxylate groups of BTC construct 1D O—C—O—Mn chains. Then, adjacent chains are interlinked by benzene rings of BTC to form a novel 3D architecture. It contains eight-membered rings channels that are about 0.8 nm×0.8 nm viewed along the (101) direction. In addition, it is believed that the bpy acts as both an organic ligand and a structure-directing agent in the synthesis of the title compound.
