摘要：
A one-dimensional chain-like coordination polymer [Mn(phen)(2,4,6-TMBA)(2)(H2O)](n) has been synthesized from 2,4,6-tlimethylbenzoic acid, 1,10-phenanthroline and anhydrous manganese(II) sulfate and then characterized. Crystal data for this complex: tetragonal, space group 141, a = 2.05643(16), b = 2.05643(16), c = 1.3939(2) nm, V = 5.8946(11) nm, M-r = 579.54, Z = 8, D-c = 1.306 g/cm(3), mu(MoK alpha) = 0.490 mm(-1), F(000) = 2424, S = 0.985, the final R = 0.0411 and wR = 0.0950. The Flack factor is -0.01(2). The crystal structure shows that two neighboring manganese(II) ions are linked together by one bridge-chelating 2,4,6-trimethylbenzoic group, forming a one-dimensional chain structure. The manganese( II) ion is coordinated with two nitrogen atoms of one 1,10-phenanthroline, three oxygen atoms from three 2,4,6-trimethylbenzoic acids and one water oxygen atom, giving a distorted octahedral coordination geometry. The cyclic voltametric behavior of the complex was also investigated.
摘要：
A novel manganese(Ⅱ) coordination polymer [Mn(L~1)_2(H_2O)]·2H_2O (HL~1 = 2,6-dichlorobenzoic acid) 1 has been synthesized and structurally characterized. X-ray diffraction analyses reveal that 1 is a one-dimensional chain structure bridged by water molecules and 2,6-dichlorobenzoic acid. The crystal is of monoclinic, space group P2_1/c with a = 12.9701(19),b =20.592(3),c = 7.3759(10) (A),β = 102.660(2)°,V = 1.9221(5) nm~3,Z = 4,C_(14)H_(12)Cl_4MnO_7,M_r=488.98,D_c = 1.690 g/cm~3,μ = 1.275 mm~(-1),F(000) = 980,R_(int) = 0.0348,R = 0.0350,and wR =0.0755.In the crystal the manganese atom is six-coordinated by two oxygen atoms from water and four oxygen atoms from four 2,6-dichlorobenzolate molecules, completing an octahedral geometry.
摘要：
A novel complex Zn(phen)(m-CBA)_2(H_2O) with mchlorobenzoic acid (m-CBA), 1,10-phenanthroline (phen) and zinc chloride has been hydrothermally synthesized and characterized. Crystal data for this complex: triclinic, space group P1, a = 0.8361(5), b = 1.2455(7), c = 1.3107(7) nm, α = 115.637(8), β = 91.014(9), γ = 104.857(8)°, V = 1.1763(11) nm~3, D_c = 1.623 g/cm~3, Z = 2, F(000) = 584, GOOF = 1.078, the final R = 0.0453 and wR = 0.1192. Structure analysis shows that the zinc ion coordinates with two nitrogen atoms of one 1,10-phenanthroline molecule, three oxygen atoms from two m-chlorobenzoic acid molecules and one water molecule, giving a distorted square-pyramidal coordination geometry. The cyclic voltametric behavior of the complex was also investigated.
作者机构：
[Kuang, Dai-Zhi; Feng, Yong-Lan; Xu, Jin-Sheng; Zhang, Chun-Hua] Hengyang Normal Univ, Dept Chem & Mat Sci, Henyang 421008, Hunan, Peoples R China.
通讯机构：
[Xu, Jin-Sheng] H;Hengyang Normal Univ, Dept Chem & Mat Sci, Henyang 421008, Hunan, Peoples R China.
摘要：
C31H20I3N2O6Sm, triclinic, P (1) over bar (no. 2), a = 10.952(2) angstrom, b = 12.310(3) angstrom, c = 12.553(3) angstrom, alpha = 81.549(3)degrees, beta = 82.404(4)degrees, gamma = 78.348(3)degrees, V = 1630.3 angstrom(3), Z = 1, R-gt(F) = 0.033, wR(ref)(F-2) = 0.079, T = 294 K.
摘要：
One novel complex [Co(p-MBA)2(2,2′-bipy)(H 2O)](H20) has been synthesized by the reaction of p-methylbenzoic acid with 2,2′-bipyridine in the solvent mixture of water and methanol. It crystallizes in triclinic, space group P1̄ with a = 0.70479(14), b = 1.1211(2), c = 1.6718(3) nm, α = 103.806(3), β= 90.795(3), γ = 104.207(3)°, V= 1.2399(4) nm3, Mr = 512.41, Dc= 1.373 g/cm3, Z = 2, F(000) = 532, μ = 0.733 mm-1, R= 0.0432 and wR = 0.0957. The crystal structural analysis shows that the cobalt atom is coordinated with three oxygen atoms from two p-methylbenzoic acids and one water molecule and two nitrogen atoms from one 2,2′-bipyridine, forming a distorted square-pyramidal coordination geometry. The cyclic voltammetry behavior of the complex is also reported.
摘要：
A novel complex tri(o-bromobenzyl)tin ferrocenecarboxylate has been synthesized and its crystal structure was determined by X-ray diffraction. It belongs to orthorhombic, space group Pbca with a = 1.1340(3), b = 1.7823 (4), c = 3.0119(8) nm, V = 6.088(3) nm~3, M_r = 857.81, Z = 8, D_c = 1.872 g/cm~3, μ(MoKα) = 52.63 cm~(-1), F(000) = 3328, R = 0.0683 and wR = 0.1057. The tin atom adopts a distorted tetrahedral coordination geometry. Further studies on the title com- plex have been performed with quantum chemistry calculation at the Lanl2dz basis set level using G98W package. The stability of the complex, some frontier molecular orbital energies and com- position characteristics of some frontier molecular orbitals have been investigated.
摘要：
A new manganese coordination polymer 1, [Mn(H_2O)_4(L)]_n(ClO_4)_(2n).2nH_2O.3nL (L= 2,5-bis(4-pyridyl)-3,4-diaza-2,4-hexadiene), has been synthesized and structurally characterized.The crystal structure was determined by single-crystal X-ray diffraction. The crystal is of monoclinic, space group Pn with a = 13.9176(8), b = 15.4754(9), c = 15.9670(9) (A), β =99.5010(10)°, V = 3391.8(3) (A)~3, Z = 2, C_(56)H_(68)Cl_2MnN_(16)O_(14), M_r= 1315.10, D_c = 1.288 g/cm~3, μ =0.344 mm~(-1), F(000) = 1374, R = 0.0733 and wR = 0.2035. In the crystal the manganese atom is six-coordinated by two nitrogen atoms from 2,5-bis(4-pyridyl)-3,4-diaza-2,4-hexadiene and four oxygen atoms from water molecules, completing an octahedral geometry. The title complex exhibits a novel supramolecular layer architecture sustained by the concurrence of coordination bonds,hydrogen bonds, and π-π stacking interactions.
期刊：
Chinese Journal of Structural Chemistry,2007年26(7):749-752 ISSN：0254-5861
通讯作者：
Kuang, YF
作者机构：
[Kuang Yun-Fei; Li Wei; Yang Ying-Qun] Department of Chemistry and Materials Science, Hengyang Normal University;[Li Chang-Hong] Department of Chemistry and Chemical Engineering, Hunan Institute of Technology
通讯机构：
[Kuang, YF ] ;Hengyang Normal Univ, Dept Chem & Mat Sci, Hengyang 421008, Peoples R China.
摘要：
A new nickel(II) coordination complex [Ni(phen)3]·(m- nitrobenzoic acid)2-(H2O) was synthesized by self-assembly of m-nitrobenzoic acid, 1,10-phenanthroline and nickelous Perchlorate. It crystallizes in the monoclinic system, space group C2/c, with a = 2.4596(6), b = 1.2124(3), c = 1.9824(5) nm, β = 97.088(5)°, V = 5.866(3) nm 3, Dc = 1.474 g/cm3, Z = 4, Mr = 1301.82, μ(MoKα) = 0.417 mm-1 F(000) = 2688, R - 0.0493 and wR = 0.1025. Structural determination indicates that the nickel(II) ion is coordinated with six nitrogen atoms from three phens, giving a distorted octahedral coordination geometry. The cyclic voltametric analysis shows that the electron transfer in the electrode reaction is irreversible.
