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- ItemA second polymorph of 3,4-bis(6-bromopyridin-3-yl)-1,2,5-thiadiazole(Chester : International Union of Crystallography, 2016) Becker, Lisanne; Altenburger, Kai; Spannenberg, Anke; Arndt, Perdita; Rosenthal, UweThe title compound, C12H6Br2N4S, a second polymorph in the triclinic space group P-1, is presented. As in the earlier reported monoclinic polymorph in the space group C2/c [Becker et al. (2016[Becker, L., Reiss, F., Altenburger, K., Spannenberg, A., Arndt, P., Jiao, H. & Rosenthal, U. (2016). Chem. Eur. J. In the press. doi: 10.1002/chem.201601337.]). Chem. Eur. J. In the press], the thiadiazole ring is planar with an r.m.s. deviation of 0.004 Å. The five-membered ring is tilted with respect to the two pyridyl substituents by 23.16 (7) and 49.47 (9)°. In the crystal, molecules are linked by a weak non-bonding Br⋯N interaction [3.056 (3) Å]. Furthermore, a column of molecules is established along the b axis by π–π stacking interactions between the pyridine rings [centroid–centroid distances = 3.7014 (16) and 3.5934 (15) Å]. Additionally, a short intermolecular Br⋯Br contact [3.3791 (6) Å] and Br⋯π-aryl contacts [3.6815 (11)–3.7659 (12) Å] towards the thiadiazole and pyridine rings are found.
- ItemCrystal structure of 1-bis(((1R,2S,5R)-2-isopropyl-5-methylcyclohexyl) cyclopentadienyl)-1-trimethylphosphine-2,3-bis(trimethylsilyl) -1-hafnacycloprop-2-ene-hexane (1:0.5), (HfC8H18Si 2)(C15H22)2(PC3H 9) · 0.5C6H14(Berlin : de Gruyter, 2010) Klahn, M.; Spannenberg, A.; Rosenthal, U.C44H78HfPSi2, tetragonal, P4 1212 (no. 92), a = 14.9634(2) Å, c = 44.9270(8) Å, V = 10059.3 Å3, Z = 8, Rgt(F) = 0.026, wRref(F2) = 0.073, T = 200 K. © by Oldenbourg Wissenschaftsverlag, München.
- ItemCrystal structure of bis(pentamethylcyclopentadienyl)-(4,4′-di-tert- butylbipyridyl)hafnium(IV)-hexane (1:0.5), Hf(C10H15) 2(C18H24N2) · 0.5C 6H14(Berlin : de Gruyter, 2010) Beweries, T.; Spannenberg, A.; Rosenthal, U.C41H61HfN2, monoclinic, P21/n (no. 14), a = 13.4410(4) Å, b = 13.9983(6) Å, c = 21.1996(8) Å, β = 98.144(3)°, V = 3948.5 Å3, Z = 4, Rgt(F) = 0.051, wRref(F2) = 0.121,T = 200 K. © 2014 Oldenbourg Wissenschaftsverlag, München.
- ItemLayered manganese bismuth tellurides with GeBi4Te7- and GeBi6Te10-type structures: Towards multifunctional materials(London : RSC Publ., 2019) Souchay, Daniel; Nentwig, Markus; Günther, Daniel; Keilholz, Simon; de Boor, Johannes; Zeugner, Alexander; Isaeva, Anna; Ruck, Michael; Wolter, Anja U.B.; Büchnerde, Bernd; Oeckler, OliverThe crystal structures of new layered manganese bismuth tellurides with the compositions Mn0.85(3)Bi4.10(2)Te7 and Mn0.73(4)Bi6.18(2)Te10 were determined by single-crystal X-ray diffraction, including the use of microfocused synchrotron radiation. These analyses reveal that the layered structures deviate from the idealized stoichiometry of the 12P-GeBi4Te7 (space group P3m1) and 51R-GeBi6Te10 (space group R3m) structure types they adopt. Modified compositions Mn1-xBi4+2x/3Te7 (x = 0.15-0.2) and Mn1-xBi6+2x/3Te10 (x = 0.19-0.26) assume cation vacancies and lead to homogenous bulk samples as confirmed by Rietveld refinements. Electron diffraction patterns exhibit no diffuse streaks that would indicate stacking disorder. The alternating quintuple-layer [M2Te3] and septuple-layer [M3Te4] slabs (M = mixed occupied by Bi and Mn) with 1 : 1 sequence (12P stacking) in Mn0.85Bi4.10Te7 and 2 : 1 sequence (51R stacking) in Mn0.81Bi6.13Te10 were also observed in HRTEM images. Temperature-dependent powder diffraction and differential scanning calorimetry show that the compounds are high-temperature phases, which are metastable at ambient temperature. Magnetization measurements are in accordance with a MnII oxidation state and point at predominantly ferromagnetic coupling in both compounds. The thermoelectric figures of merit of n-type conducting Mn0.85Bi4.10Te7 and Mn0.81Bi6.13Te10 reach zT = 0.25 at 375 °C and zT = 0.28 at 325 °C, respectively. Although the compounds are metastable, compact ingots exhibit still up to 80% of the main phases after thermoelectric measurements up to 400 °C. © The Royal Society of Chemistry 2019.
- ItemIodidobis(≠5-penta-methyl-cyclo-penta-dien-yl)titanium(III)(Chester : International Union of Crystallography, 2010) Kessler, M.; Spannenberg, A.; Rosenthal, U.In the title complex mol-ecule, [Ti(C10H15) 2I], the paramagnetic Ti(III) atom is coordinated by two penta-methyl-cyclo-penta-dienyl (Cp*) ligands and one iodide ligand. The two Cp*ligands are in a staggered orientation. The coordination geometry at the titanium atom can be described as distorted trigonal-planar.
- Item1,1-Bis(diphenylphosphoryl)hydrazine(Chester : International Union of Crystallography, 2018) Höhne, Martha; Aluri, Bhaskar R.; Spannenberg, Anke; Müller, Bernd H.; Peulecke, Normen; Rosenthal, UweThe title compound, C24H22N2O2P2, contains a diphosphazane backbone, as well as a hydrazine entity. The P—N—P diphosphazane unit and the N-amine N atom are almost coplanar, and the O atoms of the Ph2P(O) units are oriented trans to each other with respect to the P...P axis. In the crystal, centrosymmetrically related molecules are linked into dimers by pairs of N—H...O hydrogen bonds, forming rings of graph-set motif R22(10).
- Item[2,2-Bis(diphenylphosphanyl)propane κ2P,P0] tetracarbonylchromium(0)dichloromethane monosolvate(Chester : International Union of Crystallography, 2010) Peulecke, N.; Peitz, S.; Müller, B.H.; Spannenberg, A.; Rosenthal, U.The title compound, [Cr(C27H26P2)(CO) 4]·CH2Cl2, was obtained by the reaction of Ph2PCMe2PPh2 with Cr(CO)6 in refluxing toluene by substitution of two carbonyl ligands. The CrC 4P2 coordination geometry at the Cr atom is distorted octa-hedral, with a P - Cr - P bite angle of 70.27 (2)°.
- ItemBis(dimethyl sulfoxide)hydridobis(triphenylphosphane)cobalt(I)(Chester : International Union of Crystallography, 2010) Hapke, M.; Weding, N.; Spannenberg, A.The title compound, [CoH(C18H15P)2(C 2H6OS)2], was synthesized by the reaction of chloridotris(triphenyl-phosphane)cobalt(I), [ClCo(PPh3)3], in the presence of one equivalent potassium hydridotris(pyrazol-yl)borate in dimethyl sulfoxide. The structure displays a distorted trigonal-pyramidally coordinated cobalt(I) atom, with two phosphane ligands and one DMSO ligand in the equatorial plane. The coordination is completed by one further DMSO ligand and the anionic hydride in the axial positions.
- Item[Bis(diphenylphosphanyl)dimethylsilane κ2P,P′] tetracarbonylchromium(0)(Chester : International Union of Crystallography, 2010) Peulecke, N.; Peitz, S.; Müller, B.H.; Spannenberg, A.; Rosenthal, U.The title compound, [Cr(C26H26P2Si)(CO) 4], was obtained by the reaction of Ph2PSiMe 2PPh2 with Cr(CO)6 in refluxing toluene by ligand exchange. The CrC4P2 coordination geometry at the Cr atom is distorted octa-hedral, with a P - Cr - P bite angle of 80.27 (1)°.
- ItemDi-μ-chlorido-bis({4-[bis(trimethylsilyl)amino]-6-chloro-2,2,8,8-tetramethyl-5,7-bis(trimethylsilyl)-3,5,7-triaza-4,6-diphospha-2,8-disilanon-3-en-4-ido-κ2P,P′}palladium(II)) diethyl ether disolvate(Chester : International Union of Crystallography, 2016) Höhne, Martha; Müller, Bernd H.; Spannenberg, Anke; Rosenthal, UweThe title compound, [Pd2(C18H54Cl2N4P2Si6)2Cl2]·2C4H10O, features a dinuclear chloride-bridged palladium complex bearing two equivalents of the novel monoanionic mixed valent (λ3-P)—N—(λ5-P) ligand. A metal catalyzed coupling of two aminoiminophosphines and a shift of one chlorine from the metal to the phosphorus results in the (λ3-P)—N—(λ5-P) ligand. The molecule contains a planar bimetallic Pd2Cl2 core with a crystallographic centre of inversion at the mid-point of the Pd⋯Pd line. The Pd atoms are in a distorted square-planar arrangement, where the P/Pd/P and Cl/Pd/Cl planes are twisted with respect to each other by a dihedral angle of 7.57 (4)°. The P—Pd—P bite angle is 71.380 (18)°. Intramolecular C—H⋯Cl interactions are observed. In the crystal, the diethyl ether solvent molecule is disordered over two sites, with an occupancy ratio of 0.788 (5):0.212 (5).