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1.
Stefanus Otto Alfred Johannes Muller 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(12):1405-1407
The crystal structure of cis-[PtCl2(C6H15As)2], (I), is isostructural with a previously reported structure of cis-[PtCl2(C6H15P)2], (II). A new polymorph of (II) is also reported here. Selected geometrical parameters in the arsine complex are Pt—Cl 2.3412 (12) and 2.3498 (13), Pt—As 2.3563 (6) and 2.3630 (6) Å, Cl—Pt—Cl 88.74 (5), As—Pt—As 97.85 (2), and Cl—Pt—As 171.37 (4) and 177.45 (4)°. Corresponding parameters in the phosphine complex are Pt—Cl 2.364 (2) and 2.374 (2), Pt—P 2.264 (2) and 2.262 (2) Å, Cl—Pt—Cl 85.66 (9), P—Pt—P 98.39 (7), and Cl—Pt—P 170.26 (7) and 176.82 (8)°. 相似文献
2.
Dianne D. Ellis Anthony L. Spek 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(2):147-148
The title complex, [V(C7H7N)(C13H23N2Si2)2Cl], consists of a V metal centre coordinated to five N atoms and a Cl− ion in a pseudo-octahedral arrangement. The N atoms of the benzamidinate ligands form two four-membered chelate rings to V, with bite angles of 63.59 (8) and 64.36 (8)°, whilst the fifth N atom is from a p-tolylimido ligand [V—N—C 172.2 (2)°] located cis with respect to the Cl− ion [Cl—V—Nimido 96.96 (8)°]. 相似文献
3.
Jun Lin Jun-Yong Zhang Yan Xu Xiao-Kang Ke Zijian Guo 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(2):192-194
The crystal structures of N,N′-(1,2-phenylene)bis(pyridine-2-carboxamide), C18H14N4O2, (I), and N,N′-(1,2-cyclohexanediyl)bis(pyridine-2-carboxamide) have been determined, the latter compound as the toluene hemisolvate, C18H20N4O2·0.5C7H8, (II). In (I), the benzene ring is nearly coplanar with one of the pyridine rings and forms a dihedral angle of 59.4 (1)° with the other. However, in (II), the dihedral angle of the two pyridine rings is 70.0 (1)°. 相似文献
4.
Geraldo L. Crossetti Carlos A. L. Filgueiras R. Alan Howie James L. Wardell Claudio M. Ziglio 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(11):1279-1281
In the title compound, [NiBr2(C31H32NP)], (I), the second reported example of a nickel–iminophosphine N,P-chelate in which the Ni atom has tetrahedral coordination, the Ni coordination is distorted as a consequence of the N—Ni—P chelate bite angle of 91.07 (6)° compensated by the Br—Ni—Br angle of 126.385 (18)°. In (I) and its analogue, viz. dichloro{[2-(4-isobutyloxazol-2-yl)phenyl]diphenylphosphine-N,P}nickel(II), the Ni—N and Ni—P distances are greater and the N—Ni—P ligand bite angles smaller than those observed in a series of related complexes with square-planar nickel. 相似文献
5.
Ya Xiong Mingliang Tong Taicheng An Hans T. Karlsson 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(12):1385-1387
In the neutral title complex, [Cu(C3H2O4)(C5H8N2)2(H2O)]·2H2O or [Cu(mal)(dmp)2(H2O)]·2H2O (mal is malonate and dmp is 3,5-dimethyl-1H-pyrazole), the CuII ion, in a slightly distorted square-pyramidal geometry, is coordinated by two O atoms of the bidentate malonate, the O atom of the water ligand and two N atoms from the two 3,5-dimethylpyrazole ligands. The mean Cu—N bond length is 2.007 (6) Å, longer than the Cu—Omal bonds [1.950 (5) Å]. The apical position is occupied by a relatively strongly coordinated water molecule [Cu—Owater 2.288 (5) Å]. The crystal structure is characterized by the layer motif of a hydrogen-bonded network. 相似文献
6.
Vincent M. Lynch Philip A. Gale Jonathan L. Sessler David Madeiros 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(12):1426-1428
Crystals of the title complex, C28H36N4·C2H6OS, undergo a phase transition between room temperature and 198 K, as determined by X-ray diffraction techniques. A monoclinic form is observed at room temperature, while a triclinic modification is found at 198 K, with Z′ changing from 1 to 2. Differential scanning calorimetry (DSC) of the calixpyrrole–dimethyl sulfoxide complex revealed a series of phase changes between 273 and 243 K. The transition from the room-temperature monoclinic form to the low-temperature triclinic form is reversible, as determined by changes in the cell dimensions from remeasuring selected reflections at room temperature and at temperatures below 223 K. The uncomplexed calix[4]pyrrole molecule shows no phase changes occurring between room temperature and 233 K, the low-temperature limit of the DSC. 相似文献
7.
Jan Janczak Ryszard Kubiak 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(1):55-57
The title antimony(III) complex, [Sb(C32H16N8)]Cl or [SbPc]Cl (where Pc = C32H16N82−), has been obtained from the reaction of pure powdered antimony with 1,2-dicyanobenzene under a stream of ICl vapour. The asymmetric unit of this complex consists of an [SbPc]+ cation and a Cl− anion. The phthalocyaninate residue [SbPc]+ is not planar. The Sb atom lies 1.057 (3) Å from the plane defined by the four isoindole N atoms. A combination of ionic and donor–acceptor interactions links the [SbPc]Cl molecules to form centrosymmetric [(SbPc)Cl]2 pseudo-dimers in the crystal. The Sb—Cl distances in the pseudo-dimer are not equivalent [3.043 (2) and 3.201 (2) Å]. The pseudo-dimers are weakly linked through Cl⃛H—Cbenzo interactions to form a three-dimensional network. As a result of these interactions, the four Sn—Nisoindole bond lengths in the [SbPc]+ residue are not equivalent and the symmetry of the Sb—N core is only close to Cs. 相似文献
8.
Miao Du Xian-He Bu He Liu Xue-Bing Leng 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(2):201-202
The crystal structure of the title compound, C16H8N6, contains two independent molecules with no significant difference in their structures. The pyrazine ring makes dihedral angles of 36.7 (2) and 36.5 (3)° with the two pyridine rings in one molecule, and 43.1 (2) and 38.4 (1)° in the other. The dihedral angles between the two pyridine rings are 58.2 (2) and 56.0 (2)°, respectively. The favoured orientation of the pyridine rings is such that their N atoms face each other. 相似文献
9.
Mikhail S. Grigoriev Christophe Den Auwer Charles Madic 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(10):1141-1143
The title complexes, (C5H6N)[Ce(NO3)4(C15H11N3)]·C5H5N or (Hpy)[Ce(NO3)4(terpy)]·py, (I) (py is pyridine, C5H5N, and terpy is terpyridine, C15H11N3), and [Ce(NO3)3(C15H11N3)(CH4O)2] or [Ce(NO3)3(terpy)(OHCH3)2], (II), are 11-coordinate. The coordination polyhedron of the Ce atom in (I) is irregular, while that in (II) can be described as an icosahedron with two vertices replaced by one. 相似文献
10.
Jan W. Bats Marc A. Grundl A. Stephen K. Hashmi 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(2):208-210
The crystal structure of the title compound, C16H22N2O4, has two independent chiral molecules related by a pseudo-inversion centre. 14 of the 22 non-H atoms have a centrosymmetric counterpart within a tolerance of 0.17 Å. A search of the Cambridge Structural Database [Spring 2000; Allen & Kennard (1993). Chem. Des. Autom. News, 8 , 1, 31–37] shows at least 10% of the crystal structures reported in the literature with space group P21 and Z = 4 to be chiral compounds with a pseudo-P21/c packing. 相似文献
11.
Qingli Hao Fangfang Jian Xin Wang Ibrahim Abdul Razak S. Shanmuga Sundara Raj Hoong-Kun Fun 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(2):160-161
In the title compound, [Ni(C6H14O2PS2)2(C5H6N2)2], the coordination around the Ni atom, which lies on a crystallographic centre of symmetry, is octahedral with the S atoms from the dithiophosphate ligands occupying the equatorial positions, while the axial positions are occupied by the ring N atoms of the 2-aminopyridine ligands. The molecules form layers in the bc plane which are stacked in the direction of the a axis. 相似文献
12.
R. Alan Howie James L. Wardell 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(9):1041-1043
The structures of the ketotins determined here, [SnCl2(C6H11O)2] and [Sn(C3S5)(C6H11O)2], respectively, along with that previously reported for [MeC(O)CH2CMe2]2SnI2, are compared with the structures of the analogous estertins [MeOC(O)CH2CH2]2SnX2. Pairwise comparison of the mean ketotin [estertin] Sn—X and Sn—O distances as Sn—X 2.4422 (4) [2.4054 (7) Å], 2.4970 (4) [2.471 (2) Å] and 2.8463 (4) [2.7788 (8) Å] and Sn—O 2.4926 (12) [2.528 (1) Å], 2.6110 (11) [2.629 (7) Å] and 2.435 (3) [2.525 (4) Å] (for X = Cl, S and I, respectively) clearly demonstrates the superior donor ability of the ketotin O atom in chelate formation. 相似文献
13.
A series of fifteen complexes of the type [Fe(RRNCS2)3] with symmetric (R=R=n- C6H13, n-C8H17, CH2–CH=;CH2, C6H5, C6H11 and C6H5CH2), unsymmetric (R = CH3; R = n-C4H9, C6H11, C6H5 and R = C2H5; R = n-C4H9, C6H11, C6H5 and i-C3H7) and ring substituents (RNR=pyrrolidyl and piperidyl) have been synthesized and their magnetic moments and Mössbauer spectra recorded from room temperature (RT) to liquid nitrogen temperature (LNT). Room temperature Mössbauer spectra of all the complexes exhibit an asymmetric doublet, which could be resolved into two doublets, each corresponding to low and high spin states in equilibrium. The crystal structure of tris(N, N-diallyldithiocarbamato)iron(III) shows it to be monoclinic with trigonally distorted octahedral geometry and space group C2/c. Fe–S stretching vibrations in the far i.r. region also show equilibria, HS LS. Depending on the nature of the alkyl group substituent, variable temperature magnetic moment and Mössbauer spectral studies, all the complexes may be divided into three groups; high spin complexes exhibiting spin-crossover (6A1g 2T2g), high spin complexes exhibiting spin transition (6A1g 4T1g) and intermediate spin complexes showing spin transition (4A1g 2T2g). On the basis of areas of the two doublets corresponding to high and low spin states, their percent contributions were calculated. Furthermore, magnetic moments of the equilibrium mixture calculated on the basis of respective areas compare well with the experimentally determined eff values. EQ values for both high and low spin states show linear decrease with increasing temperature. 相似文献
14.
15.
Preliminary stoichiometric and kinetic results bearing on the mechanism of the reduction of HCO3− to CO by tris(2,2′-bipyridine)cobalt(I) in aqueous media are reported. The results indicate that CO (not formate) is the dominant carbon product and that it is scavenged by Co(bpy)3+ to give insoluble [Co(bpy)(CO)2]2. At pH ∼ 9, bicarbonate reduction occurs in competition with H2O reduction. Both processes are inhibited by bpy and promoted by H+, suggesting the common intermediate Co(bpy)2(H2O)H2+. The bicarbonate reaction itself branches to give H2 and CO in ∼ 3:1 ratio. 相似文献
16.
《Journal of Coordination Chemistry》2012,65(2):201-206
Three silver(I) complexes, [Ag(ca2en)(PPh3)]ClO4 (1), [Ag(ca2en)(PPh3)2]ClO4 (2) and [Ag(ca2en)2]ClO4 (3), where ca2en?=?N,N′-bis(trans-cinnamaldehyde)ethylenediimine, have been synthesized and characterized spectroscopically. The crystal structure of (1) was determined by X-ray diffraction methods. Crystal data for 1: C38H35AgClN2O4P, triclinic, P 1, a?=?12.086(2), b?=?18.204(2), c?=?8.550(2) Å, α?=?102.69(1), β?=?105.85(1), γ?=?91.47(1)°, V?=?1758.0(5) Å3, Z?=?2, R(F)?=?0.070, wR (F)?=?0.064, T?=?296?K. The coordination geometry of the Ag atom is distorted trigonal involving two N atoms of ca2en and one P atom of triphenylphosphine (PPh3). 相似文献
17.
Qingli Hao Xujie Yang Fangfang Jian Lude Lu Xin Wang Ibrahim Abdul Razak Suchada Chantrapromma Hoong-Kun Fun 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(1):42-44
The two title compounds, [M(C6H14O2PS2)2(C12H8N2)], where M = CdII and FeII, are isomorphous. Each compound has a crystallographic twofold axis of symmetry through the metal atom and the 1,10-phenanthroline molecule. The central metal atom is coordinated to four S atoms from the two dithiophosphate groups and two N atoms from the 1,10-phenanthroline ligand. The environment of the metal atom is a distorted octahedron. 相似文献
18.
A series of tetrathiafulvalene-substituted 2,3-di(2-pyridyl)quinoxaline (dpq) ligands, 2-(4,5-bis(methylthio)-1,3-dithiol-2-ylidene)-6,7-di(pyridin-2-yl)- [1,3]dithiolo[4,5-g]quinoxaline (L1), dimethyl-2-(6,7-di(pyridin-2-yl)-[1,3]dithiolo[4,5-g]quinoxalin-2-ylidene)-1,3-dithiole-4,5-dicarboxylate (L2), and 2-(5,6-dihydro-[1,3]dithiolo[4,5-b] [1,4]dithiin-2-ylidene)-6,7-di(pyridin-2-yl)-[1,3]dithiolo[4,5-g]quinoxaline (L3), have been prepared. Reactions of these ligands with Re(CO)5Cl afford the corresponding dinuclear rhenium(I) carbonyl complexes, Re2(L)(CO)6Cl2 (L = L1, 5a; L = L2, 5b; L = L3, 5c). All new compounds are fully characterized by 1H NMR, IR and mass spectroscopies. The crystal structures of 5a and 5b have been studied. Optimized conformations and molecular orbital diagrams of 5a−5c have been calculated with density functional theory (DFT). The spin-allowed singlet−singlet electronic transitions of all complexes have been calculated with time-dependent DFT (TDDFT), and the UV-Vis−NIR spectra are discussed based on the theoretical calculations. 相似文献
19.
《Journal of Coordination Chemistry》2012,65(6):1082-1090
The preparation and characterization of a new gallium(III) complex with quinoline-2-carboxylate, of formula [Ga(quin-2-c)2Cl], are described. The crystal structure of the complex has been determined by X-ray diffraction, crystallizing in monoclinic space group P21/n with Ga(III) adopting a distorted tetragonal pyramid. Gallium(III) coordinates two quinoline-2-carboxylates and one chloride with a Cl,N2,O2 donor set. In the crystal the 2-D supramolecular structure is generated by weak intermolecular interactions, C–H?···?O, C–H?···?Cl, and C–H?···?π. The cytotoxicity assays against several human cancer cell lines (Du145, A549, MCF-7, A498, HT-29) and against mouse fibroblasts (BALB/3T3) revealed moderate antiproliferative activity of the complex. 相似文献
20.
《Journal of Coordination Chemistry》2012,65(1):65-72
Abstract Copper(I) and zinc(II) complexes with N,N′-bis(2-pyridinyl)thiourea (BPT), [Cu(BPT)2]ClO4 (1) and [Zn(BPT)2](ClO4)2 (2) were synthesized by reaction of M(ClO4)2 (M = Cu, Zn) with BPT in methanol solution. The crystal structures of complexes (1) and (2) were characterized by X-ray diffraction: (1) is triclinic, space group P, with a = 10.162(2), b=14.483(6), c = 9.496(2) Å, α = 105.80(2)°, β = 106.94(2)°, γ = 82.71(3)°, V = 1284.4(7) Å3, Z = 2, and final R = 0.047, R w = 0.061; (2) is monoclinic, space group C2/c, with a = 15.15(1), b = 6.299(3), c = 30.16(1)Å, β = 93.49(7)°, V = 2872(2)Å3, Z=4, and final R = 0.049, Rw = 0.070. Both of the complexes exhibit novel structures. Two N atoms and two S atoms from two BPT groups coordinate to one M atom. The M atom shows distorted tetrahedral geometry. IR spectra and ther-moanalyses of BPT and its complexes (1) and (2) are briefly discussed. 相似文献