The space group of [(H2O)(C3H4N2)(O2CCH=CHCO2Zn)]n, which was originally described in the acentric Pc space group (Liu et al., Chin. J. Struct. Chem. 2004, 23, 160～163), is re-described in the centric P21/c space g...The space group of [(H2O)(C3H4N2)(O2CCH=CHCO2Zn)]n, which was originally described in the acentric Pc space group (Liu et al., Chin. J. Struct. Chem. 2004, 23, 160～163), is re-described in the centric P21/c space group.展开更多
The reaction of N-n-Bu4MnO4 with Mn(Oac) 2 · 4H2O and butenoic acid in nonaqueous solvents leads to the formation of the complex [Mn3O(O2CCH = CHCH3) 6(py) 3] ClO4 · py (1). The crystal structure was determi...The reaction of N-n-Bu4MnO4 with Mn(Oac) 2 · 4H2O and butenoic acid in nonaqueous solvents leads to the formation of the complex [Mn3O(O2CCH = CHCH3) 6(py) 3] ClO4 · py (1). The crystal structure was determined.The complex crystallizes in hexagonal, space group P63/m, unit cell parameters, a = 1. 2456(1)nm, b = 1. 2456(1) nm, c = 1. 8741(1) nm, V=2. 5181(3) nm3, Z =2, and final R1 =0. 0565, wR2 =0. 1465. Variable tem-perature solid tate magnetic susceptibility study shows that the complex [Mn3O(O2CCH = CHCH3)6(py)3] ClO4 (2) has an antiferromagnetic exchange interaction.展开更多
The title compound,{[n-Bu 2 Sn(O 2 CCH 2 CS 2 NC 4 H 8 )] 2 O} 2 ,has been synthesized by the reaction of(tetrahydro-pyrrodithiolocarbamoylthio)acetic acid with the di-n-bubyltin oxide in1∶1molar ratio.The complex ha...The title compound,{[n-Bu 2 Sn(O 2 CCH 2 CS 2 NC 4 H 8 )] 2 O} 2 ,has been synthesized by the reaction of(tetrahydro-pyrrodithiolocarbamoylthio)acetic acid with the di-n-bubyltin oxide in1∶1molar ratio.The complex has been characterized by elemental analysis,IR and NMR.The crystal structure of it has been determined by X-ray single crystal diffraction.And the results showed that the crystal belongs to triclinic system with space group P1and some crystal parameters:a=1.2202(9)nm,b=1.3158(10)nm,c=1.3804(10)nm,α =111.215(9)° ,β =99.357(9)° ,γ =96.075(10)°,V=2.006(2)nm 3 ,Z=1,F(000)=908,μ =1.489mm -1 ,D c =1.474g · cm -3 ,R 1 =0.0375,wR 2 =0.0839.The complex has a centrosymmetric dimer structure mode with a four-membered central endo-cyclic Sn 2 O 2 unit in which two bridged oxygen atoms both connect with an exo-cyclic tin atom which has a distorted octahedron.Each of the endo-cyclic tin atoms exhibits a distorted trigonal bipyramid coordination geometry with an additional weak coordination carboxylate oxygen.Four carboxylate ligands are divided into two types.And two of them are bidentate and connecting to each of exo-cyclic tin atoms by using both oxygen atoms,whereas the others bridge to each pair of exo-and endo-cyclic tin atoms utilizing one oxygen atom only.CCDC:220513.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 synthesis and the structural characterization of the title compound HNa[WO（CCH）-（OCCH）（HO）][HWO]·13.5 HO are described.It is known that the mixed oxo-ethylidyne-capped tritungsten cluster can be obtaine...The synthesis and the structural characterization of the title compound HNa[WO（CCH）-（OCCH）（HO）][HWO]·13.5 HO are described.It is known that the mixed oxo-ethylidyne-capped tritungsten cluster can be obtained by Zn dust reduction of NaWO·2HO in acetic anhydride.The title compound has been characterized by X-ray diffraction,UV/VIS andH NMR spectra.The tungsten atoms in the cluster cation and anion are in the oxidation states of W（IV）and W（VI）respectively.The crystal is rhombohedral with the space group R32,a=17.058（3）,c=49.665（9）,γ=120°,V=12516（9）,Z=6,final R=0.037 for 2071 reflections with I≥3σ（I）.Boththe cluster cation and anion have a Csymmetry.The important interatomic distances in angstroms forthe cluster cation are:W—W,2.730（2）;W—μ-O,2.00;W—O（carboxyl）,2.12;W—O,2.18（2）.展开更多
文摘The space group of [(H2O)(C3H4N2)(O2CCH=CHCO2Zn)]n, which was originally described in the acentric Pc space group (Liu et al., Chin. J. Struct. Chem. 2004, 23, 160～163), is re-described in the centric P21/c space group.
文摘The reaction of N-n-Bu4MnO4 with Mn(Oac) 2 · 4H2O and butenoic acid in nonaqueous solvents leads to the formation of the complex [Mn3O(O2CCH = CHCH3) 6(py) 3] ClO4 · py (1). The crystal structure was determined.The complex crystallizes in hexagonal, space group P63/m, unit cell parameters, a = 1. 2456(1)nm, b = 1. 2456(1) nm, c = 1. 8741(1) nm, V=2. 5181(3) nm3, Z =2, and final R1 =0. 0565, wR2 =0. 1465. Variable tem-perature solid tate magnetic susceptibility study shows that the complex [Mn3O(O2CCH = CHCH3)6(py)3] ClO4 (2) has an antiferromagnetic exchange interaction.
文摘The title compound,{[n-Bu 2 Sn(O 2 CCH 2 CS 2 NC 4 H 8 )] 2 O} 2 ,has been synthesized by the reaction of(tetrahydro-pyrrodithiolocarbamoylthio)acetic acid with the di-n-bubyltin oxide in1∶1molar ratio.The complex has been characterized by elemental analysis,IR and NMR.The crystal structure of it has been determined by X-ray single crystal diffraction.And the results showed that the crystal belongs to triclinic system with space group P1and some crystal parameters:a=1.2202(9)nm,b=1.3158(10)nm,c=1.3804(10)nm,α =111.215(9)° ,β =99.357(9)° ,γ =96.075(10)°,V=2.006(2)nm 3 ,Z=1,F(000)=908,μ =1.489mm -1 ,D c =1.474g · cm -3 ,R 1 =0.0375,wR 2 =0.0839.The complex has a centrosymmetric dimer structure mode with a four-membered central endo-cyclic Sn 2 O 2 unit in which two bridged oxygen atoms both connect with an exo-cyclic tin atom which has a distorted octahedron.Each of the endo-cyclic tin atoms exhibits a distorted trigonal bipyramid coordination geometry with an additional weak coordination carboxylate oxygen.Four carboxylate ligands are divided into two types.And two of them are bidentate and connecting to each of exo-cyclic tin atoms by using both oxygen atoms,whereas the others bridge to each pair of exo-and endo-cyclic tin atoms utilizing one oxygen atom only.CCDC:220513.
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.
基金the National Natural Science Foundation of China.
文摘The synthesis and the structural characterization of the title compound HNa[WO（CCH）-（OCCH）（HO）][HWO]·13.5 HO are described.It is known that the mixed oxo-ethylidyne-capped tritungsten cluster can be obtained by Zn dust reduction of NaWO·2HO in acetic anhydride.The title compound has been characterized by X-ray diffraction,UV/VIS andH NMR spectra.The tungsten atoms in the cluster cation and anion are in the oxidation states of W（IV）and W（VI）respectively.The crystal is rhombohedral with the space group R32,a=17.058（3）,c=49.665（9）,γ=120°,V=12516（9）,Z=6,final R=0.037 for 2071 reflections with I≥3σ（I）.Boththe cluster cation and anion have a Csymmetry.The important interatomic distances in angstroms forthe cluster cation are:W—W,2.730（2）;W—μ-O,2.00;W—O（carboxyl）,2.12;W—O,2.18（2）.
