By X-ray (λ=0. 71069A) diffraction of single crystal,we have determined the crystal structure of C6H5GdCl2 (THF)4,C22H37Cl2O4Gd, MT=593. 2,or-thorhombic space group Ccm2;with lattice parameters a=12. 776(6),b=12. 954...By X-ray (λ=0. 71069A) diffraction of single crystal,we have determined the crystal structure of C6H5GdCl2 (THF)4,C22H37Cl2O4Gd, MT=593. 2,or-thorhombic space group Ccm2;with lattice parameters a=12. 776(6),b=12. 954(6), c=15. 802(3)A ;V=2615. 4(1. 8)A3;Z=4,Dc=2. 43gcm-3,μ=29. 3cm-1,F(000) = 1120. The structure was solved by heavy-atom method and Fourier techniques and refined by least-squares to a final R=0. 051 ,Rw = 0. 049 for 839 reflections with I≥1. 5σ (I). The results revealed that the bond length of Gd-C is 2. 437(22) A ,the average bond lengths of Gd-Cl 2. 678(6) A ,Gd-O 2. 499(12) A, C-C from phenyl group 1. 376(40)A. This crystal structure is the first organolanthanide complex with only one Ln-C bond in the molecule.展开更多
The crystal structure of title complex has been determined by the method of X-ray single crystal diffraction.The crystal belongs to monoclinic space group C_(2/c)with the unit parameters a=2.8907(7), b=2.0431(5),c=1.5...The crystal structure of title complex has been determined by the method of X-ray single crystal diffraction.The crystal belongs to monoclinic space group C_(2/c)with the unit parameters a=2.8907(7), b=2.0431(5),c=1.5723(3)nm;β=115.67(2)°.The unit volume V is 8.36924(348)nm^3;Z=8, Dc=1,82g·cm^(-3),μ(MoK_α)=46.4cn^(-1); F(000)=4416.The final R is 0.083,Rw 0.088.The title complex con- sists of two univalent cations and one divalent anion.The anion has a cluster structure including six Sm^(3+). Coordination numbers of all six Sm^(3+)are eight,but their surroundings are different from each other.Two of them are decahedral array,and the others are octahedral array f the centroid of each pentacyclodienyl ring is taken as one point.展开更多
The title complex crystallizes in the orthorhombic space group Pna21 with Mr = 570. 8, a = 16. 927(6), b = 18.942(7), c=10. 618(5)(?) and Z = 4. The structure was solved by Patterson and Fourier techniques and refined...The title complex crystallizes in the orthorhombic space group Pna21 with Mr = 570. 8, a = 16. 927(6), b = 18.942(7), c=10. 618(5)(?) and Z = 4. The structure was solved by Patterson and Fourier techniques and refined by block-diagonal least squares techniques to R = 0. 090 and Rw = 0. 093 for 1553 reflections with I>1. 5σ(I). The Pr3+ ion is bonded to five carbon atoms of cyclopentadi-enyl ring, four μ-chlorine atoms and one oxygen atom of THF in an octahedral geometry with the Pr-C distances in the range 2. 6.7 - 2. 79(?)(av. 2. 76(?)) , the Pr-Cl distances in the range 2. 81 - 2. 92(?) (av. 2. 86(?)) and the Pr -O distance of 2. 51 (?). Each Li+ ion is coordinated by two μ-chlorine atoms and two oxygen atoms from THF in a tetrahedral geometry with the Li-Cl distances in the range 2. 24 - 2. 61(?) (av. 2. 43(?)) and the Li -O distances in the range 1. 86-1. 94(?)(av. 1. 91(?)). The Pr atom and the two Li atoms are bridged asymmetrically by the chlorine atoms.展开更多
文摘By X-ray (λ=0. 71069A) diffraction of single crystal,we have determined the crystal structure of C6H5GdCl2 (THF)4,C22H37Cl2O4Gd, MT=593. 2,or-thorhombic space group Ccm2;with lattice parameters a=12. 776(6),b=12. 954(6), c=15. 802(3)A ;V=2615. 4(1. 8)A3;Z=4,Dc=2. 43gcm-3,μ=29. 3cm-1,F(000) = 1120. The structure was solved by heavy-atom method and Fourier techniques and refined by least-squares to a final R=0. 051 ,Rw = 0. 049 for 839 reflections with I≥1. 5σ (I). The results revealed that the bond length of Gd-C is 2. 437(22) A ,the average bond lengths of Gd-Cl 2. 678(6) A ,Gd-O 2. 499(12) A, C-C from phenyl group 1. 376(40)A. This crystal structure is the first organolanthanide complex with only one Ln-C bond in the molecule.
文摘The crystal structure of title complex has been determined by the method of X-ray single crystal diffraction.The crystal belongs to monoclinic space group C_(2/c)with the unit parameters a=2.8907(7), b=2.0431(5),c=1.5723(3)nm;β=115.67(2)°.The unit volume V is 8.36924(348)nm^3;Z=8, Dc=1,82g·cm^(-3),μ(MoK_α)=46.4cn^(-1); F(000)=4416.The final R is 0.083,Rw 0.088.The title complex con- sists of two univalent cations and one divalent anion.The anion has a cluster structure including six Sm^(3+). Coordination numbers of all six Sm^(3+)are eight,but their surroundings are different from each other.Two of them are decahedral array,and the others are octahedral array f the centroid of each pentacyclodienyl ring is taken as one point.
基金Project supported by the National Science Foundation of China
文摘The title complex crystallizes in the orthorhombic space group Pna21 with Mr = 570. 8, a = 16. 927(6), b = 18.942(7), c=10. 618(5)(?) and Z = 4. The structure was solved by Patterson and Fourier techniques and refined by block-diagonal least squares techniques to R = 0. 090 and Rw = 0. 093 for 1553 reflections with I>1. 5σ(I). The Pr3+ ion is bonded to five carbon atoms of cyclopentadi-enyl ring, four μ-chlorine atoms and one oxygen atom of THF in an octahedral geometry with the Pr-C distances in the range 2. 6.7 - 2. 79(?)(av. 2. 76(?)) , the Pr-Cl distances in the range 2. 81 - 2. 92(?) (av. 2. 86(?)) and the Pr -O distance of 2. 51 (?). Each Li+ ion is coordinated by two μ-chlorine atoms and two oxygen atoms from THF in a tetrahedral geometry with the Li-Cl distances in the range 2. 24 - 2. 61(?) (av. 2. 43(?)) and the Li -O distances in the range 1. 86-1. 94(?)(av. 1. 91(?)). The Pr atom and the two Li atoms are bridged asymmetrically by the chlorine atoms.
