The hydrothermal reaction of NH 4VO 3, CoCl 2·6H 2O, o-phen and H 2O gave a novel two-dimensional layered polyoxovanadate, [Co(o-phen)]V 2O 6·H 2O, which was constructed from {V 2O 6} chains linked by Co(o-p...The hydrothermal reaction of NH 4VO 3, CoCl 2·6H 2O, o-phen and H 2O gave a novel two-dimensional layered polyoxovanadate, [Co(o-phen)]V 2O 6·H 2O, which was constructed from {V 2O 6} chains linked by Co(o-phen) complex fragments. [Co(o-phen)]V 2O 6·H 2O was characterized by IR, TG and single-crystal X-ray diffraction. It crystallizes in monoclinic space group P2(1)/c with a= 0.785 2(9) nm, b=2.118 3(2) nm, c=0.946 3(11) nm, β=112.827(2)°, V=0.145 1(3) nm3, D c=2.074 g/cm3, Z=4, R 1=0.038 8, wR 2=0.094 1.展开更多
The crystal structure of tricarbonylpentamethyldisilanylcyclopentadienyl chloro molybdenum complex [Mo(eta5 C5H4Si2Me5)(CO)3Cl] has been determined by X ray diffraction method.A quantum chemistry calculation by means ...The crystal structure of tricarbonylpentamethyldisilanylcyclopentadienyl chloro molybdenum complex [Mo(eta5 C5H4Si2Me5)(CO)3Cl] has been determined by X ray diffraction method.A quantum chemistry calculation by means of G98W package and taking LanL2DZ basis set.The crystal belongs to orthorhombic spacegroup Pbca with a=1.5812(5), b=1.7307(3), c=1.3339(2)nm,V=3.650(1)nm3, Z=8, Dc=1.495 g·cm-3, μ(Mo Kα)= 9.97cm-1,F(000)=1664,final R=0.027 for 2590 unique reflection . The bond lengths of Mo Cl and is 0.250nm,and Mo CO is 0.198～0.202nm. The Mo atom has a distorted tetrahedral cone geometry.展开更多
文摘The hydrothermal reaction of NH 4VO 3, CoCl 2·6H 2O, o-phen and H 2O gave a novel two-dimensional layered polyoxovanadate, [Co(o-phen)]V 2O 6·H 2O, which was constructed from {V 2O 6} chains linked by Co(o-phen) complex fragments. [Co(o-phen)]V 2O 6·H 2O was characterized by IR, TG and single-crystal X-ray diffraction. It crystallizes in monoclinic space group P2(1)/c with a= 0.785 2(9) nm, b=2.118 3(2) nm, c=0.946 3(11) nm, β=112.827(2)°, V=0.145 1(3) nm3, D c=2.074 g/cm3, Z=4, R 1=0.038 8, wR 2=0.094 1.
文摘The crystal structure of tricarbonylpentamethyldisilanylcyclopentadienyl chloro molybdenum complex [Mo(eta5 C5H4Si2Me5)(CO)3Cl] has been determined by X ray diffraction method.A quantum chemistry calculation by means of G98W package and taking LanL2DZ basis set.The crystal belongs to orthorhombic spacegroup Pbca with a=1.5812(5), b=1.7307(3), c=1.3339(2)nm,V=3.650(1)nm3, Z=8, Dc=1.495 g·cm-3, μ(Mo Kα)= 9.97cm-1,F(000)=1664,final R=0.027 for 2590 unique reflection . The bond lengths of Mo Cl and is 0.250nm,and Mo CO is 0.198～0.202nm. The Mo atom has a distorted tetrahedral cone geometry.
