Y_2(p-CH_3C_6H_4COO)_6(C_(12)H_8N_2)_2, Mr=1349.08, triclinic, space group P, a=13.00(3), b=19.743(2), c=12.754(3)A, α=97.94(1), β=106.24(2), γ=91.66(1)°, V=3177(1)~3, Z=2, Dc=1.41gcm^(-3), λ(MoKα)=0.71069, ...Y_2(p-CH_3C_6H_4COO)_6(C_(12)H_8N_2)_2, Mr=1349.08, triclinic, space group P, a=13.00(3), b=19.743(2), c=12.754(3)A, α=97.94(1), β=106.24(2), γ=91.66(1)°, V=3177(1)~3, Z=2, Dc=1.41gcm^(-3), λ(MoKα)=0.71069, μ=18.92 cm^(-1), F(ooo)=1384, T=295K, final R=0.073 for 6504 observed reflections with Ⅰ>36(Ⅰ). There are two nonidentical binuclear molecules with different bridging connection patterns in a cell. One has four bridging carboxyl groups bound two Y(Ⅲ) ions and another only has two. The Y-Y distance is 4.196 for the former and 5.302 for the latter respectively.展开更多
Two new metal-organic complexes,{[Co2（bptc）（DPPZ）2（H2O）2]·H2O}n 1 and {[Co2（ccm）2（DPPZ）2]·2H2O}n 2,were obtained by the hydrothermal reactions of Co（NO3）2·6H2O with chelating ligand dipyrido...Two new metal-organic complexes,{[Co2（bptc）（DPPZ）2（H2O）2]·H2O}n 1 and {[Co2（ccm）2（DPPZ）2]·2H2O}n 2,were obtained by the hydrothermal reactions of Co（NO3）2·6H2O with chelating ligand dipyrido[3,2-a：2＇,3＇-c]phenazine（DPPZ） and the corresponding carboxylic acid,namely,3,3＇,4,4＇-benzophenonetetracarboxylic acid（H4bptc） or 2-carboxycinnamic acid（H2ccm）,respectively.The complexes were structurally characterized by single-crystal X-ray diffraction,elemental analyses,IR spectra,and thermal gravimetry.1 presents unique chiral chain structures,which are further consolidated into three-dimensional supramolecular frameworks via noncovalent bonds,such as hydrogen bonding and π-π interactions.2 features infinite double-chain structures,which are connected by strong π-π interactions to result in three-dimensional supramolecular architectures.展开更多
(PPh_3)_2Ni(i-mnt),(i-mnt=S_2C=C(CN)_2),Mr=613.43,monoclinic,Pn,a=9.167(3),b=10.872(3), c=18.209(7) ,β=101.46(3)°,V=1779(1) ,Z=2,Dc=1.15 g/cm^3,λ(Moka)=0.71069 ,μ=7.67 cm^(-1), F(000)=648,T=296K,final R=0.060,...(PPh_3)_2Ni(i-mnt),(i-mnt=S_2C=C(CN)_2),Mr=613.43,monoclinic,Pn,a=9.167(3),b=10.872(3), c=18.209(7) ,β=101.46(3)°,V=1779(1) ,Z=2,Dc=1.15 g/cm^3,λ(Moka)=0.71069 ,μ=7.67 cm^(-1), F(000)=648,T=296K,final R=0.060,Rw=0.073 for 1909 observed reflections with Ⅰ≥3σ(Ⅰ).The complex adopts a square planar geometry as its coordination unit,the mean Ni-S and Ni-P distances are 2.216 and 2.221 ,respectivety.展开更多
Oxidative-decarbonylation of Co2(CO) 6(μ-PhC≡CH) with Me3NO in the presence of an electron deficient ligand, Ph2PC5F6PPh2 (F6FOS), produces Co2 (CO) 4 (μ-PhC≡CH)(F6FOS), (1). The metrical values of 1 have been com...Oxidative-decarbonylation of Co2(CO) 6(μ-PhC≡CH) with Me3NO in the presence of an electron deficient ligand, Ph2PC5F6PPh2 (F6FOS), produces Co2 (CO) 4 (μ-PhC≡CH)(F6FOS), (1). The metrical values of 1 have been compared to those of the closely related cobalt carbonyl alkyne compound A containing (Z)-Ph2PCH=CHPPh2 (Z-dppe) ligand. Strikingly anomalous is an alkyne C≡C bond (1.34(1) ? in 1, which is somewhat elongated compared to A (1.31(1) ?). When taking a strong electron-withdrawing power of fluoride atom into account, F6FOS ligand appeared to reduce the π-back-donation ability of cobalt atom, making this bond shortened in comparison to the same bond in A. Bond lengthening in the alkyne C≡C bond in 1 is attributed to the enhanced electron donor ability of F6FOS compared to Z-dppe and can be understood by examining resonance structures of F6FOS ligand.展开更多
(CH_3C_5H_4)Zr(S_2CNBz_2)_3, Mr=987.55, space group P1, a=13.002(4), b=13.659(3), c=29.685(8); α=100.72(2)~o,β=97.23(2)~o, γ=105.36(2)~o; V=4909(2)~3, Z=4, Dc=1.34gcm^(-3), Mo-K(λ=0.71073A) radiation, μ=5.0cm^(-1...(CH_3C_5H_4)Zr(S_2CNBz_2)_3, Mr=987.55, space group P1, a=13.002(4), b=13.659(3), c=29.685(8); α=100.72(2)~o,β=97.23(2)~o, γ=105.36(2)~o; V=4909(2)~3, Z=4, Dc=1.34gcm^(-3), Mo-K(λ=0.71073A) radiation, μ=5.0cm^(-1), R=0.069, Rw=0.078 for 6100 reflections. The title complex has pentagonal bipyramid configuration in which the zirconium atom is coordinated by one CH_3C_5H_4 group and three bidentate dibenzyldithiocarbamate ligands.展开更多
Cp;ZrCl（S;CNBz;） is a five-coordinate bent zirconocene in which the dibenzyldithiocarbamate is a bidentate ligand (Zr-Cl 2.549（1）A; Zr-C 2.489-2.533; Zr-S 2.667（1）, 2.734（1）; Zr-Cl-S1 137.6（1）;; Zr-Cl-S2 73....Cp;ZrCl（S;CNBz;） is a five-coordinate bent zirconocene in which the dibenzyldithiocarbamate is a bidentate ligand (Zr-Cl 2.549（1）A; Zr-C 2.489-2.533; Zr-S 2.667（1）, 2.734（1）; Zr-Cl-S1 137.6（1）;; Zr-Cl-S2 73.3（1）;).展开更多
Two novel coordination compounds, [Cd2（HBTC）2（DPPZ）2（H2O）3].2H2O （1） and [Cu2（HBTC）2（DPPZ）2（HEO）]n （2） based on 1,3,5-benzenetricarboxylic acid （H3BTC） and dipyrido[3,2-a：2＇,3＇-c]phenazine （DPPZ...Two novel coordination compounds, [Cd2（HBTC）2（DPPZ）2（H2O）3].2H2O （1） and [Cu2（HBTC）2（DPPZ）2（HEO）]n （2） based on 1,3,5-benzenetricarboxylic acid （H3BTC） and dipyrido[3,2-a：2＇,3＇-c]phenazine （DPPZ） ligands, have been constructed under hydrothermal conditions. Two complexes are characterized by elemental analysis, IR and single-crystal X-ray diffraction. Structural analyses show that both complexes 1 and 2 present the three-dimensional supramolecular structures. In addition, two complexes exhibit luminescence property.展开更多
Reaction of Et 4NCl, NaSCH 2COOMe and W(CO) 6 in MeCN affords a new dinuclear tungsten(0) complex Et 4N 2 W 2(CO) 8(SCH 2COOMe) 2 (1). The crystal and molecular structure has been determined by X ray ...Reaction of Et 4NCl, NaSCH 2COOMe and W(CO) 6 in MeCN affords a new dinuclear tungsten(0) complex Et 4N 2 W 2(CO) 8(SCH 2COOMe) 2 (1). The crystal and molecular structure has been determined by X ray single crystal diffraction. 1 Crystallized in the triclinic, space group P 1 with a=11.141(7), b=10.267(4), c=10.798(3) ; α=93.96(3), β=96.88(4), γ=114.97(5)°; V=1003 3, Z=1, D c =1.76 g/cm 3, μ =60.1 cm -1 , R =0.042 and R w =0.050 for 2967 independent reflections with I】3.0 σ(I) . 1 contains a WS 2W planar core with nonbonding W…W distance of 3.9611(5) , and its IR, 13 C NMR, and cyclic voltammetry were measured and discussed.展开更多
Command, control, communication, computing, intel- ligence, surveillance and reconnaissance （C^4ISR） in information age is a complex system whose structure always changes ac- tively or passively during the warfare. ...Command, control, communication, computing, intel- ligence, surveillance and reconnaissance （C^4ISR） in information age is a complex system whose structure always changes ac- tively or passively during the warfare. Therefore, it is important to optimize the structure, especially in ambiguous and quick-tempo modern warfare. This paper proposes an adaptive evolvement mechanism for the C^4ISR structure to survive the changeable warfare. Firstly, the information age C^4ISR structure is defined and modeled based on the complex network theory. Secondly, taking the observe, orient, decide and act （OODA） model into consideration, four kinds of loops in the C^4ISR structure are pro- posed and their coefficient of networked effects （CNE） is further defined. Then, the adaptive evolvement mechanisms of the four kinds of loops are presented respectively. Finally, taking the joint air-defense C^4ISR as an example, simulation experiments are im- plemented, which validate the evolvement mechanism and show that the information age C41SR structure has some characteristics of small-world network and scale-free network.展开更多
A new coordination compound, [Pb（L）（adip）]2n （L = 11-fluoro-dipyrido[3,2- a：2＇,3＇-c]phenazine and H2adip = adipic acid）, has been synthesized under hydrothermal conditions and characterized by elemental analy...A new coordination compound, [Pb（L）（adip）]2n （L = 11-fluoro-dipyrido[3,2- a：2＇,3＇-c]phenazine and H2adip = adipic acid）, has been synthesized under hydrothermal conditions and characterized by elemental analysis, IR, TG and single-crystal X-ray diffraction. It crystallizes in triclinic, space group Pi with a = 8.8764（16）, b = 9.8088（17）, c = 12.948（2） A, α = 81.597（3）, β = 80.183（3）, y = 73.918（3）°, V= 1061.5（3） A3, Z = 2, C24H17FNaO4Pb, Mr = 651.61, Dc = 2.039 g/cm^3, F（000） = 624,μ（MoKa） = 7.997 mm^-1, R = 0.0347 and wR = 0.0795. Adjacent Pb（lI） atoms are bridged by two adip ligands to furnish a dimer with a long Pb.＂Pb distance of 9.019 A. The lateral L ligands from neighboring dimers are paired through the strong π-π interactions, yielding a fascinating 2D supramolecular layer.展开更多
Three new crystalline compounds 1-3 were successfully obtained by the reactions of 3,3＇-dimethoxy-6,6＇-dimethyl-2,2＇-bipyridine ligand（dmbp） with the corresponding Cu（Ⅰ） salts.Crystal data for 1：orthorhombic ...Three new crystalline compounds 1-3 were successfully obtained by the reactions of 3,3＇-dimethoxy-6,6＇-dimethyl-2,2＇-bipyridine ligand（dmbp） with the corresponding Cu（Ⅰ） salts.Crystal data for 1：orthorhombic Pbca,a = 18.5858（12）,b = 8.1821（5）,c = 20.6066（13） ,V = 3133.7（3） 3,Z = 8,Dc = 1.843 g/cm3,F（000） = 1696,μ = 3.366 mm-1,the final R = 0.0223 and wR = 0.0542.Crystal data for 2：Orthorhombic Pbca,a = 18.7883（16）,b = 8.3249（7）,c = 19.0294（17） ,V = 2976.4（4） 3,Z = 8,Dc = 1.731 g/cm3,F（000） = 1552,μ = 4.154 mm-1,the final R = 0.0279 and wR = 0.0680.Crystal data for 3：monoclinic P21/c,a = 13.812（10）,b = 9.910（7）,c = 23.444（17） ,β = 104.3350（10）°,V = 3090（4） 3,Z = 4,Dc = 1.476 g/cm3,F（000） = 1408,μ = 1.588 mm-1,the final R = 0.0479 and wR = 0.1081.The results of X-ray crystallographic analysis revealed that C14H16ICuN2O2（1） and C14H16BrCuN2O2（2） are isostructural compounds with the dimers connected by C-H···halogen hydrogen bonds to generate a three-dimensional（3D） supramolecular network in 1 and a two-dimensional（2D） sheet structure in 2,respectively,while the mononuclear complex C28H32Cl2Cu2N4O4（3） is ionic.In 3,the [Cu（dmbp）2]＋ cations and [ClCuCl]-anions are connected by C-H···Cl hydrogen bonds to form a one-dimensional（1D） chain along the a axis.Therefore,in the three complexes,the C-H···halogen hydrogen bonds dominate their crystal structures.Additionally,The UV luminescent properties of complexes 1-3 were investigated.展开更多
The new complex [Cu2(L-Asp)(phen)3(NO3)](NO3)·4H2O (L-Asp=L-aspartic acid and phen=1,10-phenanthroline) has been synthesized and its crystal structure ha s been determined. The complex crystallizes in the monocli...The new complex [Cu2(L-Asp)(phen)3(NO3)](NO3)·4H2O (L-Asp=L-aspartic acid and phen=1,10-phenanthroline) has been synthesized and its crystal structure ha s been determined. The complex crystallizes in the monoclinic with space group P 21/c, The cell parameters are: a=1.261 3(2) nm, b=1.500 8(4) nm, c=2.230 7(4) nm , 穋m-3. The complex contains tw o six-coordinated copper ions, and these two copper ions are connected together by L-aspartate to give rise to a binuclear structure. Hydrogen bonds展开更多
文摘Y_2(p-CH_3C_6H_4COO)_6(C_(12)H_8N_2)_2, Mr=1349.08, triclinic, space group P, a=13.00(3), b=19.743(2), c=12.754(3)A, α=97.94(1), β=106.24(2), γ=91.66(1)°, V=3177(1)~3, Z=2, Dc=1.41gcm^(-3), λ(MoKα)=0.71069, μ=18.92 cm^(-1), F(ooo)=1384, T=295K, final R=0.073 for 6504 observed reflections with Ⅰ>36(Ⅰ). There are two nonidentical binuclear molecules with different bridging connection patterns in a cell. One has four bridging carboxyl groups bound two Y(Ⅲ) ions and another only has two. The Y-Y distance is 4.196 for the former and 5.302 for the latter respectively.
基金Supported by the National Natural Science Foundation of China (No. 60978059)Program for New Century Excellent Talents in University (NCET-10-0176)the Natural Science Foundation of Jilin Province (No. 20090527)
文摘Two new metal-organic complexes,{[Co2（bptc）（DPPZ）2（H2O）2]·H2O}n 1 and {[Co2（ccm）2（DPPZ）2]·2H2O}n 2,were obtained by the hydrothermal reactions of Co（NO3）2·6H2O with chelating ligand dipyrido[3,2-a：2＇,3＇-c]phenazine（DPPZ） and the corresponding carboxylic acid,namely,3,3＇,4,4＇-benzophenonetetracarboxylic acid（H4bptc） or 2-carboxycinnamic acid（H2ccm）,respectively.The complexes were structurally characterized by single-crystal X-ray diffraction,elemental analyses,IR spectra,and thermal gravimetry.1 presents unique chiral chain structures,which are further consolidated into three-dimensional supramolecular frameworks via noncovalent bonds,such as hydrogen bonding and π-π interactions.2 features infinite double-chain structures,which are connected by strong π-π interactions to result in three-dimensional supramolecular architectures.
文摘(PPh_3)_2Ni(i-mnt),(i-mnt=S_2C=C(CN)_2),Mr=613.43,monoclinic,Pn,a=9.167(3),b=10.872(3), c=18.209(7) ,β=101.46(3)°,V=1779(1) ,Z=2,Dc=1.15 g/cm^3,λ(Moka)=0.71069 ,μ=7.67 cm^(-1), F(000)=648,T=296K,final R=0.060,Rw=0.073 for 1909 observed reflections with Ⅰ≥3σ(Ⅰ).The complex adopts a square planar geometry as its coordination unit,the mean Ni-S and Ni-P distances are 2.216 and 2.221 ,respectivety.
文摘Oxidative-decarbonylation of Co2(CO) 6(μ-PhC≡CH) with Me3NO in the presence of an electron deficient ligand, Ph2PC5F6PPh2 (F6FOS), produces Co2 (CO) 4 (μ-PhC≡CH)(F6FOS), (1). The metrical values of 1 have been compared to those of the closely related cobalt carbonyl alkyne compound A containing (Z)-Ph2PCH=CHPPh2 (Z-dppe) ligand. Strikingly anomalous is an alkyne C≡C bond (1.34(1) ? in 1, which is somewhat elongated compared to A (1.31(1) ?). When taking a strong electron-withdrawing power of fluoride atom into account, F6FOS ligand appeared to reduce the π-back-donation ability of cobalt atom, making this bond shortened in comparison to the same bond in A. Bond lengthening in the alkyne C≡C bond in 1 is attributed to the enhanced electron donor ability of F6FOS compared to Z-dppe and can be understood by examining resonance structures of F6FOS ligand.
文摘(CH_3C_5H_4)Zr(S_2CNBz_2)_3, Mr=987.55, space group P1, a=13.002(4), b=13.659(3), c=29.685(8); α=100.72(2)~o,β=97.23(2)~o, γ=105.36(2)~o; V=4909(2)~3, Z=4, Dc=1.34gcm^(-3), Mo-K(λ=0.71073A) radiation, μ=5.0cm^(-1), R=0.069, Rw=0.078 for 6100 reflections. The title complex has pentagonal bipyramid configuration in which the zirconium atom is coordinated by one CH_3C_5H_4 group and three bidentate dibenzyldithiocarbamate ligands.
文摘Cp;ZrCl（S;CNBz;） is a five-coordinate bent zirconocene in which the dibenzyldithiocarbamate is a bidentate ligand (Zr-Cl 2.549（1）A; Zr-C 2.489-2.533; Zr-S 2.667（1）, 2.734（1）; Zr-Cl-S1 137.6（1）;; Zr-Cl-S2 73.3（1）;).
基金Supported by the Program for New Century Excellent Talents in University(NCET-10-0176)NNSFC(21407064)+2 种基金NSF of Jilin Province(20130521019JH,201215219)the Education Bureau of Jilin Province([2014]152)the Science and Technology Development Plan of Siping City(2014052)
文摘Two novel coordination compounds, [Cd2（HBTC）2（DPPZ）2（H2O）3].2H2O （1） and [Cu2（HBTC）2（DPPZ）2（HEO）]n （2） based on 1,3,5-benzenetricarboxylic acid （H3BTC） and dipyrido[3,2-a：2＇,3＇-c]phenazine （DPPZ） ligands, have been constructed under hydrothermal conditions. Two complexes are characterized by elemental analysis, IR and single-crystal X-ray diffraction. Structural analyses show that both complexes 1 and 2 present the three-dimensional supramolecular structures. In addition, two complexes exhibit luminescence property.
文摘Reaction of Et 4NCl, NaSCH 2COOMe and W(CO) 6 in MeCN affords a new dinuclear tungsten(0) complex Et 4N 2 W 2(CO) 8(SCH 2COOMe) 2 (1). The crystal and molecular structure has been determined by X ray single crystal diffraction. 1 Crystallized in the triclinic, space group P 1 with a=11.141(7), b=10.267(4), c=10.798(3) ; α=93.96(3), β=96.88(4), γ=114.97(5)°; V=1003 3, Z=1, D c =1.76 g/cm 3, μ =60.1 cm -1 , R =0.042 and R w =0.050 for 2967 independent reflections with I】3.0 σ(I) . 1 contains a WS 2W planar core with nonbonding W…W distance of 3.9611(5) , and its IR, 13 C NMR, and cyclic voltammetry were measured and discussed.
基金supported by the National Defense Basic Research Program of China and National Defense Pre-Research Foundation of China
文摘Command, control, communication, computing, intel- ligence, surveillance and reconnaissance （C^4ISR） in information age is a complex system whose structure always changes ac- tively or passively during the warfare. Therefore, it is important to optimize the structure, especially in ambiguous and quick-tempo modern warfare. This paper proposes an adaptive evolvement mechanism for the C^4ISR structure to survive the changeable warfare. Firstly, the information age C^4ISR structure is defined and modeled based on the complex network theory. Secondly, taking the observe, orient, decide and act （OODA） model into consideration, four kinds of loops in the C^4ISR structure are pro- posed and their coefficient of networked effects （CNE） is further defined. Then, the adaptive evolvement mechanisms of the four kinds of loops are presented respectively. Finally, taking the joint air-defense C^4ISR as an example, simulation experiments are im- plemented, which validate the evolvement mechanism and show that the information age C41SR structure has some characteristics of small-world network and scale-free network.
基金Supported by Jilin Province Science and Technology Development Projects (No. 201105085)
文摘A new coordination compound, [Pb（L）（adip）]2n （L = 11-fluoro-dipyrido[3,2- a：2＇,3＇-c]phenazine and H2adip = adipic acid）, has been synthesized under hydrothermal conditions and characterized by elemental analysis, IR, TG and single-crystal X-ray diffraction. It crystallizes in triclinic, space group Pi with a = 8.8764（16）, b = 9.8088（17）, c = 12.948（2） A, α = 81.597（3）, β = 80.183（3）, y = 73.918（3）°, V= 1061.5（3） A3, Z = 2, C24H17FNaO4Pb, Mr = 651.61, Dc = 2.039 g/cm^3, F（000） = 624,μ（MoKa） = 7.997 mm^-1, R = 0.0347 and wR = 0.0795. Adjacent Pb（lI） atoms are bridged by two adip ligands to furnish a dimer with a long Pb.＂Pb distance of 9.019 A. The lateral L ligands from neighboring dimers are paired through the strong π-π interactions, yielding a fascinating 2D supramolecular layer.
基金supported by the National Natural Science Foundation of China (No.20872057)
文摘Three new crystalline compounds 1-3 were successfully obtained by the reactions of 3,3＇-dimethoxy-6,6＇-dimethyl-2,2＇-bipyridine ligand（dmbp） with the corresponding Cu（Ⅰ） salts.Crystal data for 1：orthorhombic Pbca,a = 18.5858（12）,b = 8.1821（5）,c = 20.6066（13） ,V = 3133.7（3） 3,Z = 8,Dc = 1.843 g/cm3,F（000） = 1696,μ = 3.366 mm-1,the final R = 0.0223 and wR = 0.0542.Crystal data for 2：Orthorhombic Pbca,a = 18.7883（16）,b = 8.3249（7）,c = 19.0294（17） ,V = 2976.4（4） 3,Z = 8,Dc = 1.731 g/cm3,F（000） = 1552,μ = 4.154 mm-1,the final R = 0.0279 and wR = 0.0680.Crystal data for 3：monoclinic P21/c,a = 13.812（10）,b = 9.910（7）,c = 23.444（17） ,β = 104.3350（10）°,V = 3090（4） 3,Z = 4,Dc = 1.476 g/cm3,F（000） = 1408,μ = 1.588 mm-1,the final R = 0.0479 and wR = 0.1081.The results of X-ray crystallographic analysis revealed that C14H16ICuN2O2（1） and C14H16BrCuN2O2（2） are isostructural compounds with the dimers connected by C-H···halogen hydrogen bonds to generate a three-dimensional（3D） supramolecular network in 1 and a two-dimensional（2D） sheet structure in 2,respectively,while the mononuclear complex C28H32Cl2Cu2N4O4（3） is ionic.In 3,the [Cu（dmbp）2]＋ cations and [ClCuCl]-anions are connected by C-H···Cl hydrogen bonds to form a one-dimensional（1D） chain along the a axis.Therefore,in the three complexes,the C-H···halogen hydrogen bonds dominate their crystal structures.Additionally,The UV luminescent properties of complexes 1-3 were investigated.
文摘The new complex [Cu2(L-Asp)(phen)3(NO3)](NO3)·4H2O (L-Asp=L-aspartic acid and phen=1,10-phenanthroline) has been synthesized and its crystal structure ha s been determined. The complex crystallizes in the monoclinic with space group P 21/c, The cell parameters are: a=1.261 3(2) nm, b=1.500 8(4) nm, c=2.230 7(4) nm , 穋m-3. The complex contains tw o six-coordinated copper ions, and these two copper ions are connected together by L-aspartate to give rise to a binuclear structure. Hydrogen bonds
