(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
(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
The crystal and molecular structure of the complex containing cobalt-carbon and iron- sulfur cluster cores,(μ-ρ-CH_3C_6H_4C_2S)(μ-n-C_3H_7S)Fe_2(CO)_6Co_2(CO)_6,has been determined by X-ray diffraction method.The c...The crystal and molecular structure of the complex containing cobalt-carbon and iron- sulfur cluster cores,(μ-ρ-CH_3C_6H_4C_2S)(μ-n-C_3H_7S)Fe_2(CO)_6Co_2(CO)_6,has been determined by X-ray diffraction method.The crystals are triclinic,space group P,with a=9.139(2),b=9.610(1), c=17.183(2),α=84.36(1),β=89.45(1),γ=88.15(1)°,V=1501.0~3;Z=2,D_c=1.74 g/cm^3. R=0.072,Rw=0.081.The results of the structure determination show a cobalt-carbon cluster core formed through the reaction of(μ-ρ-CH_3C_6H_4C_2S)(μ-n-C_3H_7S)Fe_2(CO)_6 with Co_2(CO)_8.In the cobalt-carbon cluster core,the bond length of the original C≡C lengthened to 1.324 which is close to the typical value of carbon-carbon double bond.The groups connecting the carbons of the cluster core are in cis position and lie on the opposite side of cobalt atoms.In this complex,the conformation of-SC_3H_7 is e-type,while that of-SC_2C_6H_4CH_3 is a-type.展开更多
Title compound,Mr=1273.16,was synthesized by a substitution reaction and its crystal' is triclinic belonging to space group P1 with cell parameters:a=13.944(2),b=14.143(7),c=14.233(3), A,a=77.35(3)°,β=69.94(...Title compound,Mr=1273.16,was synthesized by a substitution reaction and its crystal' is triclinic belonging to space group P1 with cell parameters:a=13.944(2),b=14.143(7),c=14.233(3), A,a=77.35(3)°,β=69.94(2)°,γ=63.50(3)°,V=2351(1)A^3,Z=2,D_c=1.799g cm^(-3).Room tem- perature,graphite-filtered Mo K_α,radiation(λ=0.71073A)was used for data collection.μ=14.988 cm^(-1),F(000)=1280,R=0.051 for 7025 observed reflections.The crystal consists of decrete cluster molecules containing a duster core[Mo_3(μ_3-S)]^(10+)with three μ-S,one μ-dtp(dtp=[S_2P(OC_2H_5)]^(2-), three x-dtp and one allylthioureo to form a local six-coordinated sphere around each Mo atom.The bónds of cluster skeleton[Mo_3(μ_3-S)(μ-S)_3]^(4+),Mo—Mo 2.744～2.766,Mo—(μ_3-S)2.340～2.342 and Mo—(μ-S)2.272～2.296 A,are comparable with those found in the related analogues.展开更多
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(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The crystal and molecular structure of the complex containing cobalt-carbon and iron- sulfur cluster cores,(μ-ρ-CH_3C_6H_4C_2S)(μ-n-C_3H_7S)Fe_2(CO)_6Co_2(CO)_6,has been determined by X-ray diffraction method.The crystals are triclinic,space group P,with a=9.139(2),b=9.610(1), c=17.183(2),α=84.36(1),β=89.45(1),γ=88.15(1)°,V=1501.0~3;Z=2,D_c=1.74 g/cm^3. R=0.072,Rw=0.081.The results of the structure determination show a cobalt-carbon cluster core formed through the reaction of(μ-ρ-CH_3C_6H_4C_2S)(μ-n-C_3H_7S)Fe_2(CO)_6 with Co_2(CO)_8.In the cobalt-carbon cluster core,the bond length of the original C≡C lengthened to 1.324 which is close to the typical value of carbon-carbon double bond.The groups connecting the carbons of the cluster core are in cis position and lie on the opposite side of cobalt atoms.In this complex,the conformation of-SC_3H_7 is e-type,while that of-SC_2C_6H_4CH_3 is a-type.
文摘Title compound,Mr=1273.16,was synthesized by a substitution reaction and its crystal' is triclinic belonging to space group P1 with cell parameters:a=13.944(2),b=14.143(7),c=14.233(3), A,a=77.35(3)°,β=69.94(2)°,γ=63.50(3)°,V=2351(1)A^3,Z=2,D_c=1.799g cm^(-3).Room tem- perature,graphite-filtered Mo K_α,radiation(λ=0.71073A)was used for data collection.μ=14.988 cm^(-1),F(000)=1280,R=0.051 for 7025 observed reflections.The crystal consists of decrete cluster molecules containing a duster core[Mo_3(μ_3-S)]^(10+)with three μ-S,one μ-dtp(dtp=[S_2P(OC_2H_5)]^(2-), three x-dtp and one allylthioureo to form a local six-coordinated sphere around each Mo atom.The bónds of cluster skeleton[Mo_3(μ_3-S)(μ-S)_3]^(4+),Mo—Mo 2.744～2.766,Mo—(μ_3-S)2.340～2.342 and Mo—(μ-S)2.272～2.296 A,are comparable with those found in the related analogues.
