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1.
Hans‐Uwe Steinberger Burkhard Ziemer Manfred Meisel 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(7):835-837
The title compound, C12H27PS, has crystallographic C3 symmetry. The bond angles at phosphorus are tetrahedral [C—P—S 109.31 (12)° and C—P—C 109.63 (12)°] and the P—C bond length is 1.899 (4) Å. The shortest intermolecular contacts exist between methyl H atoms and the S atom (3.09, 3.12 and 3.28 Å). A survey of various phosphine sulfides containing three equal ligands (Me3PS, Et3PS, Cy3PS, tBu3PS, etc.) shows the influence of substituents with different steric demand on the geometry at phosphorus and on the P—C bond length. 相似文献
2.
Manfredo Hrner Ivan Carlos Casagrande Herton Fenner Jrg Daniels Johannes Beck 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(10):m424-m426
In the title complex, [Au(C12H8N5O4)(C18H15P)], the coordination geometry about the AuI ion is linear, with one deprotonated 1,3‐bis(4‐nitrophenyl)triazenide ion, [O2NC6H4N=N–NC6H4NO2]−, acting as a monodentate ligand (two‐electron donor), and one neutral triphenylphosphine molecule completing the metal coordination. The triazenide ligand is almost planar (r.m.s. deviation = 0.0767 Å), with the largest interplanar angle being 11.6 (7)° between the phenyl ring of one of the terminal 4‐nitrophenyl substituents and the plane defined by the N=N—N triad. The Au—N and Au—P distances are 2.108 (5) and 2.2524 (13) Å, respectively. Pairs of molecules generated by centrosymmetry are associated into a supramolecular array via intermolecular C—H⋯O interactions, and N⋯C and N⋯O π–π interactions. 相似文献
3.
Anna M. M. Meij Stefanus Otto Andreas Roodt 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(9):m352-m354
The crystal structure of the title compound, trans‐[Pd(NCS)2(C6H13N3P)2](NCS)2, is one of the few palladium(II) complexes containing two protonated water‐soluble 1,3,5‐triaza‐7‐phosphaadamantane (PTA) ligands reported to date. The compound displays a distorted square‐planar geometry, with the Pd atom on an inversion centre and with the S atoms of the thiocyanate counter‐ions occupying the axial positions above and below the equatorial plane described by the phosphine and thiocyanate ligands. Geometric parameters for the formal coordination polyhedron include a Pd—P distance of 2.2940 (8) Å, a Pd—S distance of 2.3509 (8) Å and a P—Pd—S angle of 89.45 (3)°. The effective cone angle for the PTA ligands was calculated as 114.5°. 相似文献
4.
Oscar E. Piro Eduardo E. Castellano Roberto C. V. Piatti Agustín E. Bolzn Alejandro J. Arvia 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(4):m252-m255
The crystal structures of two salts of bis(thiourea)gold(I) complexes, namely bis(thiourea‐κS)gold(I) chloride, [Au(CH4N2S)2]Cl, (I), and bis[bis(thiourea‐κS)gold(I)] sulfate, [Au(CH4N2S)2]2SO4, (II), have been determined. The chloride salt, (I), is isomorphous with the corresponding bromide salt, although there are differences in the bonding. The AuI ion is located on an inversion centre and coordinated by two symmetry‐related thiourea ligands through the lone pairs on their S atoms [Au—S 2.278 (2) Å and Au—S—C 105.3 (2)°]. The sulfate salt, (II), crystallizes with four independent [Au(CH4N2S)2]+ cations per asymmetric unit, all with nearly linear S—Au—S bonding. The cations in (II) have similar conformations to that found for (I). The Au—S distances range from 2.276 (3) to 2.287 (3) Å and the Au—S—C angles from 173.5 (1) to 177.7 (1)°. These data are relevant in interpreting different electrochemical processes where gold–thiourea species are formed. 相似文献
5.
Hctor Novoa de Armas Hiram Prez Oswald M. Peeters Norbert M. Blaton Camiel J. De Ranter Jos Manuel Lpez 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(3):e98-e99
The title compound, (C6H5CH2)3PO, is an organic tertiary phosphine oxide. The molecule has threefold symmetry, with the P—O bond along the threefold axis. Main dimensions include P—O 1.488 (4), P—C 1.823 (3) Å and O—P—C 114.7 (1)°. The crystals were accidentally obtained when preparing complexes of nickel(II) with dibenzylphosphine. 相似文献
6.
Olof Kristiansson 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(2):165-167
The bis(4‐aminopyridine)silver(I) cation in [Ag(C5H6N2)2]NO3 has the Ag atom on a twofold axis and displays an N—Ag—N angle of 174.43 (15)° and an Ag—N distance of 2.122 (3) Å. The two ligands are planar and the angle between the two ligand planes is 79.45 (9)°. The pyridine rings are stacked in piles with an interplanar distance of 3.614 (5) Å, a distance that strongly suggests that pyridine π–π interactions have an appreciable importance with respect to the non‐bonded crystal organization. The tris(2,6‐diaminopyridine)silver(I) cation in [Ag(C5H7N3)3]NO3 has Ag—N distances of 2.243 (2), 2.2613 (17) and 2.4278 (18) Å, and N—Ag—N angles of 114.33 (7), 134.91 (7) and 114.33 (7)°. The Ag+ ion is situated 0.1531 (2) Å from the plane defined by the three pyridine N atoms. 相似文献
7.
Dorcas M. M. Farrell George Ferguson Alan J. Lough Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(8):955-957
In the title compound, C4H12N22+·2C8H7O3?·2CH4O, the cations lie across centres of inversion and are disordered over two orientations with equal occupancy; there are equal numbers of (R)‐ and (S)‐mandelate anions present (mandelate is α‐hydroxybenzeneacetate). The anions and the neutral water molecules are linked by O—H?O hydrogen bonds [O?O 2.658 (3) and 2.682 (3) Å, and O—H?O 176 and 166°] into deeply folded zigzag chains. Each orientation of the cation forms two symmetry‐related two‐centre N—H?O hydrogen bonds [N?O 2.588 (4) and 2.678 (4) Å, and N—H?O 177 and 171°] and two asymmetric, but planar, three‐centre N—H?(O)2 hydrogen bonds [N?O 2.686 (4)–3.137 (4) Å and N—H?O 137–147°], and by means of these the cations link the anion/water chains into bilayers. 相似文献
8.
Magnus Magnussen Theis Brock‐Nannestad Jesper Bendix 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(2):m51-m53
The structure of the pentaaquaoxovanadium(IV) ion in a salt with singly charged counter‐ions is presented. In [VO(H2O)5](CF3SO3)2, the six‐coordinate V atom is coordinated to the oxo group with a short bond [1.577 (2) Å]. The equatorial V—O bond lengths are 2.0262 (18) and 2.0277 (17) Å. The aqua ligand trans to the oxo group is subject to its trans influence, which leads to a somewhat longer V—O bond [2.175 (2) Å]. In the structure, the cation and both anions are situated on crystallographic mirror planes. The cation and anions engage in a number of relatively long hydrogen bonds [2.725 (2)–2.834 (2) Å]. 相似文献
9.
Stefanus Otto 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(7):793-795
The crystal structure of the title compound, [PtCl(CH3)(C18H33P)2], is isostructural with various platinum(II) and palladium(II) complexes containing two bulky tricyclohexylphosphine ligands in a trans orientation. The Pt atom resides on an inversion centre, resulting in a 50% statistical disorder in the chloro and methyl positions. The most significant geometrical parameters are Pt—P 2.3431 (8), Pt—Cl 2.440 (4) and Pt—C1 2.179 (13) Å, and P—Pt—P 180, P—Pt—Cl 89.15 (12) and 90.85 (12), and C—Pt—Cl 172.7 (5)°. The effective and Tolman cone angles for the tricyclohexylphosphine ligands were calculated as 160 and 162°, respectively. 相似文献
10.
Hans-Uwe Steinberger Burkhard Ziemer Manfred Meisel 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(3):323-324
In tris(tert-butyl)phosphine selenide, C12H27PSe, all the methyl ligands are disordered over two sites in the ratio 70/30. The molecule displays crystallographic C3 symmetry. The bond angles at the P atom are distorted tetrahedral [C—P—C 110.02 (5)° and Se=P—C 108.91 (5)°]. The P—C and P=Se bond lengths are 1.908 (1) and 2.1326 (6) Å, respectively. A comparison of the structural data of the complete series of tris(tert-butyl)phosphine chalcogenides (tBu3PO, tBu3PS, tBu3PSe and tBu3PTe) with the corresponding data of other phosphine chalcogenides substituted by smaller organic groups shows the great influence of the bulky tert-butyl ligands. 相似文献
11.
Fred B. Stocker Doyle Britton 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(7):798-800
Gold(I) cyanide forms complexes with imidazolidine‐2‐thione (etu) and dimethylthiourea (dmtu) with the formula [Au2(CN)2L2], i.e. the title complexes dicyano‐1κC,2κC‐bis(imidazolidine‐2‐thione)‐1κS,2κS‐digold(I)(Au—Au), [Au2(CN)2(C3H6N2S)2], and dicyano‐1κ2C‐bis(N,N′‐dimethylthiourea)‐2κ2S‐digold(I)(Au—Au), [Au2(CN)2(C3H8N2S)2]. In the etu complex, two approximately linear (etu)AuCN groups are held together by a weak homopolar Au—Au bond [3.117 (1) Å], with a torsion angle of 61 (3)° between the two groups. In the dmtu complex, an approximately linear Au(dmtu)2 group is bound to an approximately linear Au(CN)2 group by a weak heteropolar Au—Au bond [3.091 (1) Å], with a torsion angle of 83 (5)° between the two groups. 相似文献
12.
Theivanayagam C. Deivaraj Jagadese J. Vittal 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(7):775-776
In the title compound, [Ni(C2H3OS)2(C18H15P)2], the Ni atom lies on an inversion centre and the triphenyl phosphine and thioacetate ligands are bonded to the central NiII atom in a trans fashion, with Ni—S = 2.2020 (8) and Ni—P = 2.2528 (8) Å, and angle S—Ni—P = 92.47 (3)°. 相似文献
13.
Nigel T. Lucas Clem E. Powell Mark G. Humphrey 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(9):e392-e393
In the cation of the title complex, cis,cis,cis‐[Ru(η2‐O2CMe)(dppe)2]PF6·2MeOH [dppe is 1,2‐bis(diphenylphosphino)ethane, C26H24P2], the Ru atom is in a pseudo‐octahedral coordination environment with two chelating dppe ligands and one chelating acetate ligand. Intra‐phosphine and intra‐acetate bond lengths and angles are unexceptional. Deviations from idealized octahedral coordination angles at ruthenium [O—Ru—O 59.43 (8)° and P—Ru—P 103.19 (2)°] presumably derive from constraints imposed by the chelate rings. The Ru—P distances for the mutually trans P‐donor atoms [2.3785 (6) Å] are significantly longer than those for the Ru—P linkages trans to the acetate ligand [2.3074 (6) Å]. The Ru1, C1 and C2 atoms lie on a twofold axis, and atom P3 of the anion lies on an inversion centre. 相似文献
14.
Gideon Steyl Andreas Roodt 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(7):m324-m326
The molecule of the title complex, [Rh(5‐NO2trop)(C18H15P)(CO)] (5‐NO2trop is 2‐hydroxy‐5‐nitrocyclohepta‐2,4,6‐trienone, C7H4NO4), has a distorted square‐planar geometry. Strong intramolecular and weak intermolecular hydrogen bonding is observed, with H⋯O distances of the order of 2.25 and 2.55 Å, respectively. The Rh—CO, Rh—O (trans to CO), Rh—O (trans to P) and Rh—P bond distances are 1.775 (7), 2.072 (4), 2.068 (4) and 2.2397 (17) Å, respectively, the O—Rh—O angle is 77.09 (16)° and the bidentate O—C—C—O torsion angle is 1.5 (7)°. 相似文献
15.
Ionel Haiduc Gellert Mezei Rodica Micu‐Semeniuc Frank T. Edelmann Axel Fischer 《无机化学与普通化学杂志》2006,632(2):295-300
The three (O‐methyl)‐p‐ethoxyphenyldithiophosphonato triphenylphosphine complexes of copper, silver and gold, [(Ph3P)nM{S2P(OMe)C6H4OEt‐p}] (M = Cu, n = 2; M = Ag, Au, n = 1) investigated structurally by X‐ray diffraction exhibit remarkable structural differences. The copper compound is a four‐coordinate chelate monomer with Cu–S 2.4417(6) and 2.5048(6) Å; P–Cu–S 104.24(2)–114.01(2)°; Cu–S–P 82.49(3)° and 80.85(2)°. The silver compound is a cyclic dimer with bridging dithiophosphonato ligands and three‐coordinate silver atoms [Ag–S 2.5371(5) and 2.6867(5) Å; P–Ag–S 122.88(2)° and 122.17(2)°; Ag–S–P 89.32(2)° and 103.56(2)°]. The gold compound is monomeric with linear dicoordinate gold [Au–S 2.3218(6) Å; P–Au–S 177.72(2)°, Au–S–P 100.97(3)°]. 相似文献
16.
Fabrizio Adani Enzo Montoneri Philip J. Squattrito 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(4):463-464
The title compound, C7H8FO6PS·H2O, contains both phosphonic and sulfonic acid functionalities. An extensive network of O—H?O hydrogen bonds is present in the crystal structure. The three acidic protons are associated with the phosphonate group. Two protons experience typical hydrogen‐bond contacts with the sulfonate‐O atoms, while the third has a longer covalent bond of 1.05 (3) Å to the phosphonate‐O atom and a short hydrogen‐bond contact of 1.38 (3) Å to the water O atom (all O—H?O angles are in the range 162–175°). The sulfonate group is positioned so that one S—O bond is nearly coplanar with the phenyl ring [torsion angle O—S—C—C ?8.6 (2)°]. The phosphonate group is oriented approximately perpendicular to the ring [torsion angle P—C—C—C 99.2 (2)°] with one P—O bond anti to the benzyl C—C bond. The molecules pack in layers in the b–c plane with the water molecules in between adjacent pairs of inverted layers. 相似文献
17.
Clinton Hunt Brent D. Nelson Elisa G. Harmon Frank R. Fronczek Steven F. Watkins Damon R. Billodeaux George G. Stanley 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(5):546-548
Bis(μ‐3,11‐diethyl‐6,8‐diphenyl‐3,6,8,11‐tetraphosphatridecane‐κ4P3,P6:P8,P11)dirhodium(I) bis(tetrafluoroborate), [Rh2(C25H40P4)2](BF4)2, is a bimetallic complex containing two binucleating tetra‐tertiary phosphine ligands. The distance between the metal centers is 5.4555 (11) Å, with no metal–metal bond. The Rh—P bond distances range from 2.2483 (14) to 2.3295 (14) Å. The geometry about the RhI atoms is tetrahedrally distorted square planar and the dihedral angle between the two coordination planes is 66.28 (5)°. 相似文献
18.
Yaar Dürüst Cevher Altu etin Bozkurt Frank R. Fronczek 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(9):m442-m444
The title compound, [Hg(C8H5N2S2)2], has crystallographic C2 symmetry. The Hg—S distance is 2.353 (2) Å and the coordination geometry is linear, with an S—Hg—S angle of 179.77 (18)°. The exocyclic C—S single‐bond distance is 1.749 (6) Å, and intramolecular Hg⋯N distances of 2.857 (4) Å exist, as well as secondary Hg⋯C and S⋯S contacts. 相似文献
19.
Abdul Hamid Othman Yang‐Yi Yang Xiao‐Ming Chen Seik Weng Ng 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(8):e318-e319
The three‐coordinate Ag atom in the title compound, [Ag(C7H3N2O6)(C18H15P)2], shows trigonal–planar coordination [P—Ag—P = 147.1 (1)° and ΣAg = 359.0 (3)°]. Adjacent molecules are linked through the O atoms of adjacent nitro groups [Ag?O = 3.205 (3) and 3.302 (4) Å] into a zigzag chain running parallel to the c axis. 相似文献
20.
Juraj Kuchr Juraj ernk Khalil A. Abboud 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(10):m492-m494
The title compound, catena‐poly[[μ‐cyano‐1:2κ2C:N‐dicyano‐1κ2C‐bis(N,N‐dimethylethylenediamine‐2κ2N,N′)palladium(II)copper(II)]‐μ‐cyano‐1:2′κ2C:N], [CuPd(CN)4(C4H12N2)2]n, consists of infinite quasi‐linear chains with all metal positions on centers of symmetry. The paramagnetic [Cu(dmen)2]2+ cations are linked by diamagnetic [Pd(CN)4]2− anions via bridging cyano groups, which occupy trans positions in both cation and anion, giving rise to 2,2‐TT‐type chains. The coordination polyhedron of the paramagnetic Cu atom is an octahedron exhibiting typical elongation due to the Jahn–Teller effect, with two longer Cu—N([triple‐bond]C) bonds in the axial positions [2.5528 (13) Å] and four shorter Cu—Ndmen bonds (dmen is N,N‐dimethylethylenediamine) in the equatorial plane [1.9926 (11) and 2.1149 (12) Å]. The Cu—N[triple‐bond]C angle is 138.03 (12)°. Neighboring chains form weak N—H⋯NC hydrogen bonds. 相似文献