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End date: 2019 × Start date: 2010 × Type: Text × Subject: Crystal structure × WGL Institute: LIKAT ×

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Now showing 1 - 10 of 23
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    Crystal structure of di-n-but­yl­bis­([eta]5-penta­methyl­cyclo­penta­dien­yl)hafnium(IV)
    (Chester : International Union of Crystallography, 2015) Arndt, Perdita; Schubert,Kathleen; Burlakov, Vladimir V.; Spannenberg, Anke; Rosenthal, Uwe
    The crystal structure of the title compound, [Hf(C10H15)2(C4H9)2], reveals two independent mol­ecules in the asymmetric unit. The diffraction experiment was performed with a racemically twinned crystal showing a 0.529 (5):0.471 (5) component ratio. Each HfIV atom is coordinated by two penta­methyl­cyclo­penta­dienyl and two n-butyl ligands in a distorted tetra­hedral geometry, with the cyclo­penta­dienyl rings inclined to one another by 45.11 (15) and 45.37 (16)°. In contrast to the isostructural di(n-butyl)bis([eta]5-penta­methyl­cyclo­penta­dien­yl)zirconium(IV) complex with a noticeable difference in the Zr-butyl bonding, the Hf-Cbut­yl bond lengths differ from each other by no more than 0.039 (3) Å.
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    Intermolecular hydrogen bonding in isostructural pincer complexes [OH-(t-BuPOCOPt-Bu)MCl] (M = Pd and Pt)
    (Chester : International Union of Crystallography, 2019) Joksch, M.; Spannenberg, A.; Beweries, T.
    In the crystal structure of the isostructural title compounds, namely {2,6-bis[(di-tert-butylphosphanyl)oxy]-4-hydroxyphenyl}chloridopalladium(II), [Pd(C22H39O3P2)Cl], 1, and {2,6-bis[(di-tert-butylphosphanyl)oxy]-4-hydroxyphenyl}chloridoplatinum(II), [Pt(C22H39O3P2)Cl], 2, the metal centres are coordinated in a distorted square-planar fashion by the POCOP pincer fragment and the chloride ligand. Both complexes form strong hydrogen-bonded chain structures through an interaction of the OH group in the 4-position of the aromatic POCOP backbone with the halide ligand.
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    (+)-{1,2-Bis[(2R,5R)-2,5-dimethyl-phospho-lan-1-yl]ethane- κ2 P,P′}(η4-cyclo-octa-1,5-diene) rhodium(I) tetra-fluorido-borate
    (Chester : International Union of Crystallography, 2010) Schulz, S.; Drexler, H.-J.; Heller, D.
    The title compound, [Rh(C8H12)(C14H 28P2)]BF4, exhibits a rhodium(I) complex cation with a bidentate bis-phosphine ligand and a bidentate η2, η2-coordinated cyclo-octa-1,5-diene. Together the ligands create a slightly distorted square-planar cordination environment for the Rh(I) atom. There are three mol-ecules in the asymmetric unit and intra-molecular P - Rh - P bite angles of 82.78 (5), 82.97 (6) and 83.09 (5)° are observed. The dihedral angles between the P - Rh - P and the X - Rh - X planes (X is the centroid of a double bond) are 14.7 (1), 14.8 (1) and 15.3 (1)°. The structure exhibits disorder of one cyclo-octa-diene ligand as well as one BF4 anion.
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    Crystal structure of (E)-hex-2-enoic acid
    (Chester : International Union of Crystallography, 2015) Peppel, Tim; Sonneck, Marcel; Spannenberg, Anke; Wohlrab, Sebastian
    The crystal structure of the title compound, C6H10O2, an [alpha],[beta]-unsaturated carb­oxy­lic acid, displays carb­oxy­lic acid inversion dimers linked by pairs of O-H...O hydrogen bonds. The packing is characterized by layers of acid dimers. All the non-H atoms of the (E)-hex-2-enoic acid mol­ecule lie almost in the same plane (r.m.s. deviation for the non-H atoms = 0.018 Å).
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    Crystal structure of (E)-pent-2-enoic acid
    (Chester : International Union of Crystallography, 2015) Peppel, Tim; Sonneck, Marcel; Spannenberg, Anke; Wohlrab, Sebastian
    The mol­ecule of the title compound, C5H8O2, a low-melting [alpha],[beta]-unsaturated carb­oxy­lic acid, is essentially planar [maximum displacement = 0.0239 (13) Å]. In the crystal, mol­ecules are linked into centrosymmetric dimers via pairs of O-H...O hydrogen bonds.
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    Crystal structure of bis(η5-cyclopenta-dienyl)(2, 3-diethylbutane-1, 4-diyl)-hafnium(IV)
    (Chester : International Union of Crystallography, 2015) Burlakov, Vladimir V.; Baumann, Wolfgang; Arndt, Perdita; Spannenberg, Anke; Rosenthal, Uwe
    The title compound, [Hf(C5H5)2(C8H16)], proves a structural motif of hafna­cyclo­pentane besides the coordination of two cyclo­penta­dienyl ligands in an [eta]5-fashion. The hafna­cyclo­pentane ring has a twist conformation and is substituted by two ethyl groups in the [beta],[beta]'-positions, which are trans orientated to each other. One cyclo­penta­dienyl ring and one ethyl group are each disordered over two positions with site-occupancy ratios of 0.679 (15):0.321 (15) and 0.702 (18):0.298 (18), respectively.
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    (tert-Butylimido)bis(η5-cyclopenta-dienyl) pyridinezirconium(IV)
    (Chester : International Union of Crystallography, 2010) Kaleta, K.; Arndt, P.; Spannenberg, A.; Rosenthal, U.
    The title compound, [Zr(C5H5)2(C 4H9N)(C5H5N)], was obtained from the reaction of (C5H5)2Zr(py)(η2- Me3SiC2SiMe3) (py is pyridine) and tBuN=C=NtBu alongside the formation of (C 5H5)2Zr(CNtBu)(2-Me 3SiC2SiMe3). The zirconium atom is coordinated in a distorted tetrahedral geometry by two cyclopentadienyl ligands, a pyridine ligand, and a tertbutylimido ligand via a Zr=N double bond. The tertbutyl group is disordered over two positions in a 0.634 (5):0.366 (5) ratio.
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    Crystal 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.
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    Iodidobis(≠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.
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    Crystal structure of (E)-dodec-2-enoic acid
    (Chester : International Union of Crystallography, 2015) Sonneck, Marcel; Peppel, Tim; Spannenberg, Anke; Wohlrab, Sebastian
    The crystal structure of (E)-dodec-2-enoic acid, C12H22O2, an [alpha],[beta]-unsaturated carb­oxy­lic acid with a melting point (295 K) near room temperature, is characterized by carb­oxy­lic acid inversion dimers linked by pairs of O-H...O hydrogen bonds. The carb­oxy­lic acid group and the following three carbon atoms of the chain of the (E)-dodec-2-enoic acid mol­ecule lie almost in one plane (r.m.s. deviation for the four C atoms and two O atoms = 0.012 Å), whereas the remaining carbon atoms of the hydro­carbon chain adopt a nearly fully staggered conformation [moduli of torsion angles vary from 174.01 (13) to 179.97 (13)°].