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 new compound 2 6[Co(H 2O) 2(VO) 8(OH) 4(PO 4) 8] has been hydrothermally synthesized. Single crystal X-ray analysis indicates that this compound crystallizes in a monoclinic system, space group P2 1/n with a=1.438 5...A new compound 2 6[Co(H 2O) 2(VO) 8(OH) 4(PO 4) 8] has been hydrothermally synthesized. Single crystal X-ray analysis indicates that this compound crystallizes in a monoclinic system, space group P2 1/n with a=1.438 5(3) nm, b=1.012 2(2) nm, c=1.832 5(4) nm, β=90.21°, V=2\^668 2(9) nm 3, Z=2, D c=2.112 g/cm 3, R=0.055, wR=0.149 7, S=1.037. The structure of 2 6[Co(H 2O) 2(VO) 8(OH) 4(PO 4) 8] is characterized by P-V-O layers constructed by [(VO) 4(OH) 2(PO 4) 4] 6- non-symmetric units. The P-V-O layers are pillared by [Co(H 2O) 2] 2+ group, resulting in the channels within which the protonated diaminoethane and H 3O + are located.展开更多
The title complex Cu[C5H3N(CCH3=N-C6H5)2]2(PF6)2 has been synthesized by r eaction of Schiff base C5H3N(CCH3=N-C6H5)2 and cupric sulfate in toluene solut ion. The crystal structure was determined by X-ray diffraction ...The title complex Cu[C5H3N(CCH3=N-C6H5)2]2(PF6)2 has been synthesized by r eaction of Schiff base C5H3N(CCH3=N-C6H5)2 and cupric sulfate in toluene solut ion. The crystal structure was determined by X-ray diffraction method and the chemical formula weight of the complex is 1041.85. The crystal structure belongs to triclinic system with spacegroup and cell parameters: a=12.6470(10) , b=14. 123(2) , c=15.613(2);á=66.150(10)a=79.470(10)?=78.290(10)穖-3 and F(000)=1064. The final R:R1=0.0668, wR 2=0.1927; R(all data): R1=0.1133, wR2=0.2357. The Cu was coordinated by six nitrogen, at the same time the Cu formed a distorted octahedron, besides the angles and pl anes of this compound were discussed . The result of kinetics of the thermal dec omposition indicated that the first step of it is 2 series chemical reactions, t he function of machanism is f(a)=(1-a)2, and the activation energy is 144.64E/ kJ. CCDC: 180872.展开更多
The crystal of the title compound with formula C36H44Cl2F3Mo2NO8S2 (Mr = 10002.62) crystallized in monoclinic, space group P21/n, with a = 9.6184(1), b = 22.3476(2), c = 20.7758(2) ?, ( = 90.172(1)(, V = 4465.70(7) ?3...The crystal of the title compound with formula C36H44Cl2F3Mo2NO8S2 (Mr = 10002.62) crystallized in monoclinic, space group P21/n, with a = 9.6184(1), b = 22.3476(2), c = 20.7758(2) ?, ( = 90.172(1)(, V = 4465.70(7) ?3, Z = 4, Dc = 1.491 g/cm3, F(000) = 2032, ( = 0.833 mm－1, Final R = 0.0665 and wR = 0.1650 for 5044 reflections with I >2.0( (I). The crystal structure revealed that the Mo2S2 core is planar, and the trifluoroacetic group acts as a bidentate bridging ligand and coordinates to two Mo atoms forming a five-membered ring plane, in which the Mo-Mo bond distance is 2.9222(9) ? and the O-C-O angle is 131.8(7)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 new compound 2 6[Co(H 2O) 2(VO) 8(OH) 4(PO 4) 8] has been hydrothermally synthesized. Single crystal X-ray analysis indicates that this compound crystallizes in a monoclinic system, space group P2 1/n with a=1.438 5(3) nm, b=1.012 2(2) nm, c=1.832 5(4) nm, β=90.21°, V=2\^668 2(9) nm 3, Z=2, D c=2.112 g/cm 3, R=0.055, wR=0.149 7, S=1.037. The structure of 2 6[Co(H 2O) 2(VO) 8(OH) 4(PO 4) 8] is characterized by P-V-O layers constructed by [(VO) 4(OH) 2(PO 4) 4] 6- non-symmetric units. The P-V-O layers are pillared by [Co(H 2O) 2] 2+ group, resulting in the channels within which the protonated diaminoethane and H 3O + are located.
文摘The title complex Cu[C5H3N(CCH3=N-C6H5)2]2(PF6)2 has been synthesized by r eaction of Schiff base C5H3N(CCH3=N-C6H5)2 and cupric sulfate in toluene solut ion. The crystal structure was determined by X-ray diffraction method and the chemical formula weight of the complex is 1041.85. The crystal structure belongs to triclinic system with spacegroup and cell parameters: a=12.6470(10) , b=14. 123(2) , c=15.613(2);á=66.150(10)a=79.470(10)?=78.290(10)穖-3 and F(000)=1064. The final R:R1=0.0668, wR 2=0.1927; R(all data): R1=0.1133, wR2=0.2357. The Cu was coordinated by six nitrogen, at the same time the Cu formed a distorted octahedron, besides the angles and pl anes of this compound were discussed . The result of kinetics of the thermal dec omposition indicated that the first step of it is 2 series chemical reactions, t he function of machanism is f(a)=(1-a)2, and the activation energy is 144.64E/ kJ. CCDC: 180872.
文摘The crystal of the title compound with formula C36H44Cl2F3Mo2NO8S2 (Mr = 10002.62) crystallized in monoclinic, space group P21/n, with a = 9.6184(1), b = 22.3476(2), c = 20.7758(2) ?, ( = 90.172(1)(, V = 4465.70(7) ?3, Z = 4, Dc = 1.491 g/cm3, F(000) = 2032, ( = 0.833 mm－1, Final R = 0.0665 and wR = 0.1650 for 5044 reflections with I >2.0( (I). The crystal structure revealed that the Mo2S2 core is planar, and the trifluoroacetic group acts as a bidentate bridging ligand and coordinates to two Mo atoms forming a five-membered ring plane, in which the Mo-Mo bond distance is 2.9222(9) ? and the O-C-O angle is 131.8(7)
