Synthesis and Crystal Structure of [Cu(phen)(PPh_3)Cl]_2·H_2O
Zhen‐Feng Chen
Abstract
Zhen‐Feng Chen
Abstract
The title compound [Cu(phen)(PPh3)Cl]2·H2O was synthesized and characterized by elemental analysis,IR and UV spectra.The results of X-ray single crystal diffraction analysis of the title complex reveal that it belongs to triclinic crystal system,space group is P-1,C60H48Cl2Cu2N4OP2,Mr=1 100.94,with cell parameters.a=0.979 78(13) nm,b=1.566 10(2) nm,c=1.846 20(3) nm,α=109.138(3)°,β=103.417(3)°,γ=103.417(3)°,V=2.584 1(6) nm3,Z=2,Dc=1.415 Mg/m3,F(000)=1 132,μ=1.035 mm-1,R1=0.101 4,wR2=0.212 2(I2σ(I)).The compound consists of two independent Cu(phen)(PPh3)Cl molecules and one H2O solvent molecule.The structures of the two independent Cu(phen)(PPh3)Cl molecules are similar.The central metal Cu(Ⅰ)atom is four-coordinated distorted tetrahedral geometry surrounded by two N atoms from 1,10-phen,one P atom from PPh3 and Cl atom.In addition,a two-dimensional network is generated via non-classical hydrogen bonds involving chlorine and C—H of phen.
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The title compound [Cu(phen)(PPh3)Cl]2·H2O was synthesized and characterized by elemental analysis,IR and UV spectra.The results of X-ray single crystal diffraction analysis of the title complex reveal that it belongs to triclinic crystal system,space group is P-1,C60H48Cl2Cu2N4OP2,Mr=1 100.94,with cell parameters.a=0.979 78(13) nm,b=1.566 10(2) nm,c=1.846 20(3) nm,α=109.138(3)°,β=103.417(3)°,γ=103.417(3)°,V=2.584 1(6) nm3,Z=2,Dc=1.415 Mg/m3,F(000)=1 132,μ=1.035 mm-1,R1=0.101 4,wR2=0.212 2(I2σ(I)).The compound consists of two independent Cu(phen)(PPh3)Cl molecules and one H2O solvent molecule.The structures of the two independent Cu(phen)(PPh3)Cl molecules are similar.The central metal Cu(Ⅰ)atom is four-coordinated distorted tetrahedral geometry surrounded by two N atoms from 1,10-phen,one P atom from PPh3 and Cl atom.In addition,a two-dimensional network is generated via non-classical hydrogen bonds involving chlorine and C—H of phen.
Key concepts: Triclinic crystal system, Crystallography, Molecule, Crystal structure, Chemistry, Atom (system on chip), Crystal (programming language), Hydrogen bond