A manganese coordination polymer Mn(3,5-Me2PhCO2)2(phen)n(phen=1,10-phenanthroline) has been synthesized by hydrothermal methods. The crystal structure was determined by single-crystal X-ray diffraction. The crystal i...A manganese coordination polymer Mn(3,5-Me2PhCO2)2(phen)n(phen=1,10-phenanthroline) has been synthesized by hydrothermal methods. The crystal structure was determined by single-crystal X-ray diffraction. The crystal is of triclinic, space group P1 with a=0.770 3(4) nm, b=1.145 2(6) nm, c=1.537 0(9) nm, α=78.182(9)°, β=77.170(9)°, γ=89.784(9)°, V=1.292 8(12) nm3, Z=2, Mr=533.47, Dc=1.370 g·cm-3, μ=0.549 mm-1, F(000)=554, Rint=0.043 4, R=0.060 8 ,wR=0.148 4. In the crystal the manganese atom is six-coordinated by two nitrogen atoms from phen and four oxygen atoms from four 3,5-dimethylbenzolate molecules, completing an octahedral geometry. And the title complex forms one-dimensional chain structure through bridging 3,5-dimethylbenzolate molecules. CCDC: 642920.展开更多
A novel coordination polymer of [Mn(HIDC)(H2O)]n (HIDC2-=1H-imidazole-4,5-dicarboxylate dianion) has been synthesized and characterized by elemental analysis, IR spectra and X-ray single crystal diffraction. The title...A novel coordination polymer of [Mn(HIDC)(H2O)]n (HIDC2-=1H-imidazole-4,5-dicarboxylate dianion) has been synthesized and characterized by elemental analysis, IR spectra and X-ray single crystal diffraction. The title complexcrystallizes in orthorhombic with space group Pbca, a=0.72300(14) nm, b=1.3618(3) nm, c=1.4250(3) nm. V=1.4030(5) nm3, Z=8, R=0.0213 and wR=0.0592. Each manganese! atom is six-coordinated by four oxy- gen atoms and one nitrogen atoms from three different HIDC2- groups and one water molecule, forming a distorted octahedral coordination configuration. The manganese! atoms are bridged by the pentadentate HIDC2- groups, constructing a two-dimensional layer structure along ac plane. CCDC: 268454.展开更多
A novel manganese coordination polymer [Mn(FA)2(4,4′-bipy)]n (HFA=2-furancarboxylic acid, 4,4′-bipy=4,4′-bipyridine) has been synthesized by hydrothermal methods. The crystal structure was determined by single-crys...A novel manganese coordination polymer [Mn(FA)2(4,4′-bipy)]n (HFA=2-furancarboxylic acid, 4,4′-bipy=4,4′-bipyridine) has been synthesized by hydrothermal methods. The crystal structure was determined by single-crystal X-ray diffraction. The crystal is of monoclinic, space group C2/c with a=1.698 4(3) nm, b=1.168 6(2) nm, c=1.009 5(17) nm, β=109.455(11)°, V=1.889 2(6) nm3, Z=4, Dc=1.523 g·cm-3, Mr=433.27, F(000)=884, μ=0.740 mm-1, R1=0.028 2 and wR2=0.071 0. In the crystal, the manganese atom is six-coordinated by two nitrogen atoms from 4,4′-bipyridine and four oxygen atoms from furancarboxylic acid molecules, completing an octahedral geometry. The 4,4′-bipyridine molecules are connected to the infinite chain [Mn(FA)2]n to form a two-dimensional layer. The quantum chemistry calculation on the title complex has been performed by means of G98W package and taking Lanl2dz basis set. CCDC: 296763.展开更多
文摘A manganese coordination polymer Mn(3,5-Me2PhCO2)2(phen)n(phen=1,10-phenanthroline) has been synthesized by hydrothermal methods. The crystal structure was determined by single-crystal X-ray diffraction. The crystal is of triclinic, space group P1 with a=0.770 3(4) nm, b=1.145 2(6) nm, c=1.537 0(9) nm, α=78.182(9)°, β=77.170(9)°, γ=89.784(9)°, V=1.292 8(12) nm3, Z=2, Mr=533.47, Dc=1.370 g·cm-3, μ=0.549 mm-1, F(000)=554, Rint=0.043 4, R=0.060 8 ,wR=0.148 4. In the crystal the manganese atom is six-coordinated by two nitrogen atoms from phen and four oxygen atoms from four 3,5-dimethylbenzolate molecules, completing an octahedral geometry. And the title complex forms one-dimensional chain structure through bridging 3,5-dimethylbenzolate molecules. CCDC: 642920.
文摘A novel coordination polymer of [Mn(HIDC)(H2O)]n (HIDC2-=1H-imidazole-4,5-dicarboxylate dianion) has been synthesized and characterized by elemental analysis, IR spectra and X-ray single crystal diffraction. The title complexcrystallizes in orthorhombic with space group Pbca, a=0.72300(14) nm, b=1.3618(3) nm, c=1.4250(3) nm. V=1.4030(5) nm3, Z=8, R=0.0213 and wR=0.0592. Each manganese! atom is six-coordinated by four oxy- gen atoms and one nitrogen atoms from three different HIDC2- groups and one water molecule, forming a distorted octahedral coordination configuration. The manganese! atoms are bridged by the pentadentate HIDC2- groups, constructing a two-dimensional layer structure along ac plane. CCDC: 268454.
文摘A novel manganese coordination polymer [Mn(FA)2(4,4′-bipy)]n (HFA=2-furancarboxylic acid, 4,4′-bipy=4,4′-bipyridine) has been synthesized by hydrothermal methods. The crystal structure was determined by single-crystal X-ray diffraction. The crystal is of monoclinic, space group C2/c with a=1.698 4(3) nm, b=1.168 6(2) nm, c=1.009 5(17) nm, β=109.455(11)°, V=1.889 2(6) nm3, Z=4, Dc=1.523 g·cm-3, Mr=433.27, F(000)=884, μ=0.740 mm-1, R1=0.028 2 and wR2=0.071 0. In the crystal, the manganese atom is six-coordinated by two nitrogen atoms from 4,4′-bipyridine and four oxygen atoms from furancarboxylic acid molecules, completing an octahedral geometry. The 4,4′-bipyridine molecules are connected to the infinite chain [Mn(FA)2]n to form a two-dimensional layer. The quantum chemistry calculation on the title complex has been performed by means of G98W package and taking Lanl2dz basis set. CCDC: 296763.
