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1992[X]
21Author    Rene Wollert, SigridW. Ocadlo, K. Urt Dehnicke, Helmut Goesmann, Dieter FenskeRequires cookie*
 Title    Die Kristallstrukturen von (PPh4)2 [TiCl3 (NSiMe3) ] 2 * CH3CN und (PPh4)2 [TiCl4(OSPCl2) ] 2 The Crystal Structures of (PPh4)2[TiCl3(NSiM e3)]2 -C H 3CN and (PPh4)2[TiCl4(OSPCl2)]2  
 Abstract    (PPh4)2[TiCl3(N SiM e3)]2 C H 3CN has been prepared from [TiCl^NSiM ej)]^ with PPh4Cl in acetonitrile solution as yellow crystals. The com pound crystallizes in the triclinic space group P 1 with one formula unit per unit cell, 3447 observed unique reflections, R = 0.053. Lattice dimensions at 200 K: a = 1030(1), b = 1253(1), c = 1374(1) pm, a = 77.46(8)°, ß = 73.93(8)°, y = 69.99(9)°. The structure consists o f PPh4+ ions and centrosymmetric dimeric anions [TiCl3(N SiM e3)]2~, in which pentacoordinate titanium atom s are associated via the nitrogen atoms o f the silylimido groups. (PPh4)2[TiCl4(OSPCl2)]2 has been prepared by the reaction o f PPh^fOSPClJ with titanium tetrachloride in C H 2C12 solution as orange crystals. (Space group P I , Z = 1, 3242 observed unique reflections, R = 0.033). Lattice dim ensions at 193 K: a = 1114.8(2), b = 1190.6(2), c = 1218.7(2) pm, a = 72.18(1)°, ß = 85.45(1)°, y = 69.19(1)°. The structure consists o f PPh4+ ions and centrosymmetric dimeric anions [TiCl4(O SPCl2)]^~, in which hexacoordinate titanium atom s are associated via two chlorine atoms. The OSPCl2_ group is coordinated via the oxygen atom. 
  Reference    Z. Naturforsch. 47b, 1386—1392 (1992); eingegangen am 9. März 1992 
  Published    1992 
  Keywords    Dimeric Titanium Complexes, Synthesis, IR Spectra, Crystal Structure 
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 Identifier    ZNB-1992-47b-1386 
 Volume    47 
22Author    Uwe Kuckländer, KrystinaK. Una, Gabriele Zerta, Wolfgang PollRequires cookie*
 Title    Untersuchung zur 6 -Hydroxyindol-Bildung bei der Nenitzescu-Reaktion, IV [1] Cyclisierung von N-(Chinonylalkyl)enaminon-Derivaten, II [2] Investigation on the F orm ation of 6 -F[ydroxyindole in the Nenitzescu Reaction, IV [1] Cyclization of N-(Quinonylalkyl)enam inone Derivatives, II [2]  
 Abstract    Quinonylmethylenaminones 5 and 6 are synthesized and cyclized to spiro com pounds 7 and 8. Quinonylpropylenaminone 15 is made in the same way. Cyclization in acetic acid yields qui-nolines 11 and 12, in trifluoroacetic acid/trifluoroacetic anhydrid diacylenamine 16 is ob­ tained. The product o f 15 in perchloric acid is benzazocine 20. The structure o f 20 is proven by X-ray analysis. The course o f the reaction is discussed. 
  Reference    Z. Naturforsch. 47b, 1403—1410 (1992); eingegangen am 17. April 1992 
  Published    1992 
  Keywords    Spirocyclization, Quinones, Enaminones, Benzofurano-azocin, Crystal Structure 
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 Identifier    ZNB-1992-47b-1403 
 Volume    47 
23Author    JörgH. Albering, W. Olfgang, JeitschkoRequires cookie*
 Title    Preparation and Crystal Structures of Th5Fe19P 12 and ThFe4P2  
 Abstract    The new com pounds Th5F e19P 12 and ThFe4P2 were prepared by reaction o f the elemental components in a tin flux and their crystal structures were determined from single-crystal X-ray data. Th5F e 19P 12 crystallizes with a new m onoclinic structure type: C2/m , a = 2920.3(3), b = 379.18(3), c = 931.48(8) pm, ß = 103.36(1)°, Z = 2, R = 0.031. ThFe4P2 is isotypic with SmNi4P2: Pnnm , a = 1448.9(2), b = 1074.7(2), c = 376.98(4) pm, Z = 6, R = 0.030. Both com ­ pounds belong to the large family o f structures with a m eta l: nonmetal ratio o f exactly or near­ ly 2:1. In these phosphides all phosphorus atom s have nine metal neighbors: six are forming a trigonal prism with three additional neighbors capping the rectangular faces o f the prism. In both structures the thorium atom s have trigonal prismatic or octahedral phosphorus coordi­ nation. M ost iron atoms have the usual tetrahedral phosphorus environment. In addition, the structure o f Th5F e19P l2 has iron atom s in rectangular and distorted square pyramidal phos­ phorus coordination, while the structure o f T hFe4P2 contains iron atom s with only two or three phosphorus neighbors. 
  Reference    Z. Naturforsch. 47b, 1521—1528 (1992); received March 31 1992 
  Published    1992 
  Keywords    Crystal Structure, Tin Flux, Ternary Thorium Iron Phosphides 
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 Identifier    ZNB-1992-47b-1521 
 Volume    47 
24Author    Adalbert Lossin, Gerd MeyerRequires cookie*
 Title    Dimere und Ketten in Praseodym(III)acetat-sesquihydrat, Pr(CH3COO)3 * 1,5 H20 Dimers and Chains in Praseodymium(III)acetate-sesquihydrate, Pr(C H 3C OO)3-1.5 H20  
 Abstract    Pr(C H 3COO)3-1.5H-,0 crystallizes with the triclinic system. P i (no. 2), Z = 4, a = 844.2(4), b = 1009.8(5), c = 1340.1(7) pm, a = 87.10(5), ß = 76.25(6), y = 75.65(2)°, Vm = 161.9(1) cm3/ mol, R = 0.049, Rw = 0.035. The crystal structure contains centrosymmetric dimers {[Pr(CH3C 0 0) 4(H 20)]~}2 and one-dimensional chains i,[Pr(CH3C 0 0) 2(H 20)]+ along the [100] direction. Both units are built up by bridging acetate groups. The chains are linked by the dimers to layers parallel (101) sharing oxygen atoms. Crystal water molecules between these planes form hydrogen bonds to neighbouring layers. 
  Reference    Z. Naturforsch. 47b, 1602—1608 (1992); eingegangen am 14. April 1992 
  Published    1992 
  Keywords    Praseodymium Acetate, Sesquihydrate, Synthesis, Crystal Structure, Thermal Behaviour 
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 Identifier    ZNB-1992-47b-1602 
 Volume    47 
25Author    H. PreutRequires cookie*
 Title    Umsetzungen  
 Abstract    von Methylphosphanen (CH3)nPCl3_/I (/i = 1 -3) mit Methylchlorsulfan und Kristallstrukturen von (CH3)3PSCH3+I_ und CH3P(SCH3)Cl2+SbCl6-R eactions o f M ethylphosphines (C H 3)"PC13_" (n = 1 -3) w ith M ethylchlorosulfane and C rystal S tructures o f (C H 3)3P S C H 3+I~ and C H 3P (S C H 3)C l2+SbC l6-R olf M inkw itz*, G e rn o t M edger, R üdiger G re th The new thiophosphonium com pounds (C H 3)"P(SCH3)C13_"+C r (n = 1 -3) are prepared by reaction o f methylphosphines (C H 3)"PC13_" (n = 1 -3) with C H 3SC1 in C H 2C12. C H 3P(SCH3)C12+C1-reacts with A1C13 or SbCl5 to give the tetrachloroaluminate and the hexachloroantimonate, respectively. Likewise (C H 3)2P(SCH3)C l+SbCl6~ is formed from the chloride and SbCl5. All com pounds are characterized by vibrational and N M R spectroscopy. C H 3P(SCH3)Cl2+SbCl6" crystallizes in the m onoclinic space group P 2,/« with a = 929(2), b = 1095(2), c = 1436(3) pm, ß = 93,1(2)° and Z = 4. (C H 3)3PSCH 3+L crystallizes in the same space group with a = 705,2(4), b = 1360,6(8), c = 941,8(4) pm, ß = 93,85(4)° and Z = 4. 
  Reference    Z. Naturforsch. 47b, 1653—1660 (1992); eingegangen am 3. Juni 1992 
  Published    1992 
  Keywords    Preparation, Vibrational Spectra, N M R Spectra, Crystal Structure 
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 Identifier    ZNB-1992-47b-1653 
 Volume    47 
26Author    Alfred-Dirk Bacher, Ulrich Müller, K. Arin Ruhlandt-SengeRequires cookie*
 Title    Synthese und Kristallstruktur von [K(18-Krone-6)]2S6 * 2 CH3CN Synthesis and Crystal Structure of [K( 18-Crown-6)]2S6 * 2 C H 3CN  
 Abstract    [K(18-crown-6)]2S6-2 C H 3CN was obtained from K2S5 and 18-crown-6 in acetonitrile. The crystalline com pound easily loses the incorporated acetonitrile. Its crystal structure was deter­ 
  Reference    Z. Naturforsch. 47b, 1673—1676 (1992); eingegangen am 11. August 1992 
  Published    1992 
  Keywords    Potassium-Crown Hexasulfide, Synthesis, Crystal Structure 
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 Identifier    ZNB-1992-47b-1673 
 Volume    47 
27Author    HeinzDieter Lutz, Peter Kuske, Arno Pfltzner, Herm Ann-, Josef Steiner, Herrn Prof, Dr, Hanns-PeterRequires cookie*
 Title    Kristallstruktur und Schwingungsspektren von Li5CrCl8 Crystal Structure and Vibrational Spectra of Li5C rC l8  
 Abstract    The crystal structure o f the novel pink Li5CrClg oC 28 has been determined by both single crystal X-ray and neutron powder studies. The title com pound crystallizes in a hitherto un­ known structure type (space group C m m m , Z = 2). The final R values are R = 3.4% (715 independent reflections with I > 2>ax) and Rwp = 11.5%, respectively (a = 1019.79(3), b = 723.94(2) and c = 726.16(3) pm). The structure consists o f edge-connected L i(l)C l6 and alter­ nating edge-connected Li(2)Cl6 and CrCl6 octahedra, respectively. It is related to the N aCl su­ per structure SnM n2S4 type. IR and Raman spectra as well as symmetry coordinates are given and discussed in terms o f CrCl6 and LiCl6 breathing modes. 
  Reference    Z. Naturforsch. 47b, 1687—1692 (1992); eingegangen am 1. Juni 1992 
  Published    1992 
  Keywords    Lithium Chromium Chloride, Crystal Structure, Raman Spectra 
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 Identifier    ZNB-1992-47b-1687 
 Volume    47 
28Author    Jing Shen, Joachim PickardtRequires cookie*
 Title    (Dichloro)-/i-(l  
 Abstract    ,3,5-trithian)kupfer(II), |CuCl2 • € 3^ 8 3 ],, und (Dichloro)-(l,4,7-trithiacyclononan)kupfer(II), ICuCl2 • C6H 12S 3] (Dichloro)-//-(l,3,5-trithiane)copper(II), [CuCl2 • C3H6S3]", and (Dichloro)-(1,4,7-trithiacyclononane)copper(II), [CuCl2 • C6H ,2S3] Reactions of CuCl2 with 1.3.5-trithiane and 1.4.7-trithiacyclononane yield crystals of CuCl2 C3H 6S3, and CuCl2-C6H 12S3, resp. According to X-ray structure analyses, CuCl2-C3H 6S3 forms infinite chains, whereas CuCl2-C6H 12S3 consists o f discrete molecules. In CuCl2 • C3H 6S3 the thioether molecules act as bridging ligands. Each Cu is coordinated to two S atoms belonging to two adjacent ligands, and to two Cl atoms; thus a distorted square planar coordination results. In CuCl2 -C6H 12S3 the Cu is penta-coordinated to the three S atom s o f the ligand and to two Cl atoms. One C u -S bond is significantly longer than the two others; the coordination polyhedron may be regarded as a distorted tetragonal pyramid. 
  Reference    Z. Naturforsch. 47b, 1736—1740 (1992); eingegangen am 20. Juli 1992 
  Published    1992 
  Keywords    Macrocyclic Thioethers, Copper(II) Complexes, Crystal Structure 
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 Identifier    ZNB-1992-47b-1736 
 Volume    47 
29Author    Petra Hardt, Horst Vogt, SabrowskyRequires cookie*
 Title    Christian  
 Abstract    Colorless K40 (C N)2 has been prepared. The com pound crystallizes in the tetragonal anti-K2N iF4 structure type (space group I4/mmm) with a = 515.5(1) and c = 1606.7(3) pm, Z -2. The structure was determined by single crystal X-ray diffraction, R = 3.35%. 
  Reference    Z. Naturforsch. 47b, 1746—1748 (1992); eingegangen am 26. Juni 1992 
  Published    1992 
  Keywords    Alkali Metal Oxide Cyanides, Preparation, Crystal Structure 
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 Identifier    ZNB-1992-47b-1746 
 Volume    47 
30Author    M.A S Goher3, M.A M Abu-Youssefb+, F. A. Mautner, H. P. FritzerbRequires cookie*
 Title    Crystal Structure Investigation of Two Polymeric Chromium(III) Azide Complexes; KCr(pyridine)4(N3)4 and RbCr(pyridine)3(N3)4. A Structure Containing /i( 1,3) and //(1,1,3) Bridging Azido Ligands between Chromium and Rubidium Centered Polyhedra  
 Abstract    The structures of two polymeric complexes of chrom ium (III) azide with pyridine, KCr(py)4(N 3)4 (1), and RbCr(py)3(N 3)4 (2), were determined by X-ray crystallography. Crystal data: 1, C20H 20N 16CrK, monoclinic, space group C2/c, a = 1611.2(5), b = 1050.6(3), c = 1609.0(5) pm, ß -91.69(3)°, Z = 4 and Rw = 0.037 for 923 diffractometer data; 2, C l5H 15N 15CrRb, monoclinic, space group P 2 Jn, a = 1311.9(3), b = 1139.0(4), c = 1523.3(4) pm, ß = 109.39(2)°, Z = 4 and Rw = 0.046 for 2336 data. The crystal structure of 1 contains six-coordinated chromium and potassium cations with two pyridine ligands and four y«(l,3) bridging azido groups forming a three-dimensional net­ work structure. The chromium atoms are trans-coordinated by the pyridine ligands, whereas the potassium cations are m -coordinated. The polymeric complex 2 features di-//(l,l,3) azido bridged C rR bN 2 rings, distorted octahedral chromium(III) coordination geometry, seven-coordinated rubidium, and di-//(l,3) azido bridges which link the binuclear RbCr(pyridine)3(N 3)2 moieties into infinite chains parallel to the b axis. 
  Reference    Z. Naturforsch. 47b, 1754—1758 (1992); received June 22 1992 
  Published    1992 
  Keywords    Azide, Chromium, Crystal Structure, Pyridine Complexes, Potassium, Rubidium 
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 Identifier    ZNB-1992-47b-1754 
 Volume    47 
31Author    Klaus Wasielewski, Rainer MattesRequires cookie*
 Title    Crystal Structure of [CuiCu2ii(CN)4('N 2S')2]SCN ('N 2S' = l-Thia-4,7-diazacyclononane)  
  Reference    Z. Naturforsch. 47b, 1795—1797 (1992); eingegangen am 28. Juli 1992 
  Published    1992 
  Keywords    Copper Complexes, Macrocyclic Ligands, Crystal Structure 
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 Identifier    ZNB-1992-47b-1795_n 
 Volume    47 
32Author    M. Athias, O. Senge, H. Äkon, Hope, KevinM. SmithRequires cookie*
 Title    Structure and Conformation of Photosynthetic Pigments and Related Compounds 3. Crystal Structure of ß-Carotene  
 Abstract    The crystal structure o f the title compound (C40H 56, M w = 536.8) has been redetermined by X-ray diffraction methods in order to achieve a structure at higher resolu­ tion suitable for theoretical calculations. The crystal sys­ tem is monoclinic, P2 ,/«, a = 7.656(2), b = 9.445(5), c -23.536(15) Ä , ß = 93.41(2)°, V = 1698.8(15) Ä 3, Z = 2, D = 1.050 m g/m 3, 130 K. R = 0.071, R w = 0.076. 
  Reference    Z. Naturforsch. 47c, 474 (1992); received June 4 1991/February 24 1992 
  Published    1992 
  Keywords    Crystal Structure, ß-Carotene, Carotenoids, Photosynthesis 
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 Identifier    ZNC-1992-47c-0474_n 
 Volume    47 
33Author    Takeshi Kyan, Hamagawa, Takahiro Isono, Masao HashimotoRequires cookie*
 Title    Hiroshi  
 Abstract    The crystal structure of cyclohexylhemiacetal (cycHx-CH) was determined at 296 K: monoclinic, space group P2 Jc, a =1028.7 (9), b = 609.5 (1), c = 1811.9 (4) pm, and ß = 99.79 (3)°, Z -4, R = 0.0552. The three 5s Cl NQR lines in cycHx-CH, T., T2, and T2*, were measured by a pulsed method at 80-300 K. Below 200 K Tf 1 obeyed the T law well, indicating that the spin lattice relaxation is governed by lattice vibrations. The reorientation of CC13 seems to be responsible for the sharp T: drop observed above 250 K. Shoulders in the T { vs. 1/T curves indicate the presence of Ti minima at about 240 K. A fluctuation of the EFG due to a dynamic disorder of hydrogen atoms in the OH groups is assumed to explain the T x minima. 
  Reference    Z. Naturforsch. 47a, 299 (1992); received July 25 1991 
  Published    1992 
  Keywords    Chlorine NQR, Spin-lattice relaxation, Hydrogen bond, Crystal structure 
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 Identifier    ZNA-1992-47a-0299 
 Volume    47 
34Author    Peer Berges, Volker Mansei, G. Ünter KlarRequires cookie*
 Title    Elementorganische Verbindungen mit ö-Phenylenresten, XXIII [1]  
 Abstract    2.3.6.9.10.13-Hexam ethoxy-5,7,12,14-tetrathia-5,7,12,14-tetrahydropentacen -2.3-Dichlor-5,6-dicyan-l,4-benzochinon (1/2) Organometalloidal Com pounds with o-Phenylene Substituents, XXIII [1] 2.3.6.9.10.13-Hexamethoxy-5,7,12,14-tetrathia-5,7,12,14-tetrahydropentacene -2.3-Dichloro-5,6-dicyano-1,4-benzoquinone (1 /2) The title com pound is prepared by com bining hot solutions o f the components. X-ray anal­ ysis shows hexam ethoxytetrathiatetrahydropentacene to act as a bifunctional donor, each o f its dimethoxybis(organylthio)benzene units being in contact with a dichlorodicyanoquinone molecule. In the crystal stacks o f the type D A 2 ,D A 2, with an alternating arrangement o f d o­ nor and acceptor molecules are formed. In the com plex the donor has a m -conform ation (boat form) in contrast to its pure form where the /ra/w-conformation (chair form) is found. 
  Reference    Z. Naturforsch. 47b, 211 (1992); eingegangen am 26. August 1991 
  Published    1992 
  Keywords    Hexamethoxytetrathiatetrahydropentacene, Bifunctional D onor, D ichlorodicyanoquinone, Crystal Structure, X-Ray 
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 Identifier    ZNB-1992-47b-0211 
 Volume    47 
35Author    Roswitha Schmidt, Rüdiger KniepRequires cookie*
 Title    Zn4Fe  
 Abstract    ,15(P 0 4)6*4H 20 : Eine reduzierte und "aufgefüllte" Variante der Zn2(Z n,_xFeJ.)FeII,(P 0 4)3 • 2 H 20-Struktur Zn4FeH5(P 0 4)6-4 H 20 : A Reduced and "Filled" Variant of the Zn2(Z n ,_vF ev)Fem(P 0 4)3 • 2 H 20 Structure Single crystals o f Zn4F en5(P 0 4)6-4 H 20 were grown by hydrothermal treatment o f phospho-phyllite (Zn2F e(P 0 4)2-4 H 20)_ in H 20 at 180 °C. The crystal structure (tricl., P 1; a = 651.6(4) pm, b = 902.7(4) pm, c = 995.4(4) pm, a = 69.01(5)°, ß = 78.19(5)°, y = 75.33(5)°; Z = 1) can be derived from the Zn2(Z n,_vF ev)F eni(P0 4)3-2 H20 struc­ ture by reduction o f F e111 to F e11 and by filling a "structure hole" with an additional Fe11. 
  Reference    Z. Naturforsch. 47b, 445 (1992); eingegangen am 23. September 1991 
  Published    1992 
  Keywords    Orthophosphate o f Z n /F e11, Isotypic Relation, Preparation, Crystal Structure 
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 Identifier    ZNB-1992-47b-0445_n 
 Volume    47 
36Author    Z. NaturforschRequires cookie*
 Title    Die Kristallstrukturen von N a2CoFeF7 und einer zweiten Modifikation von Na2CuFeF7: Eine weitere Weberit-Variante  
 Abstract    The Crystal Structures o f N a2C o F e F 7 an d a Second M odification o f N a 2C u F e F 7: A n o th e r W eberite V arian t M atth ias W elsch u n d D ietrich Babel* The monoclinic weberites N a2C oF eF 7 (a = 1262.2(10), b = 736.0(4), c = 2451.6(20) pm, ß = 99.71(5)°) and a second modification o f N a 2C uFeF 7 (a = 1244.4(2), b = 734.3(1), c = 2467.2(5) pm, ß = 99.27(3)°), crystallize isotypically in space group C 2 /c, Z = 16. The structure is an intermediate type between orthorhombic and trigonal weberites, characterized by pairs ofpar-allel chains o f octahedra [MF4F2/2]3' (M = Co, Cu) which run in turn along [110] and [110]. The average distances are F e -F = 192 pm in the [FeF6]3~ octahedra o f both compounds. C on­ siderable splitting o f distances occurs in the [CoF6]4-octahedra (av. C o -F = 201 pm), and by Jahn-Teller distortion even more in those o f [CuFJ4-(av. C u -F = 199 pm). One o f the copper surroundings is (pseudo)tetragonally elongated (av sual splitting into three long and three short bonds Some structural relations are discussed. 
  Reference    Z. Naturforsch. 47b, 685—6 (1992); eingegangen am 1. Oktober 1991 
  Published    1992 
  Keywords    Crystal Structure, Weberite, Heptafluorodimetallates(II, III), Jahn-Teller Distortion 
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 Identifier    ZNB-1992-47b-0685 
 Volume    47 
37Author    Z. NaturforschRequires cookie*
 Title    Synthese und Kristallstrukturen von  
 Abstract    Tris(glykolato)molybdän(VI) und T ris(pinakolato)molvbdän(VI) Syntheses and C rystal Structures o f T ris(glycolato)m olybdenum (V I) and T ris(pinacolato)m olybdenum (V I) Silke B uth, Sigrid W ocadlo, B ernhard N eum üller, F ra n k W eller und K u rt Dehnicke* PPh4[M oN (O Ph)4] has been prepared by reaction o f PPh4[M oN C l4] with sodium phenolate, as an orange-red crystal powder. The reactions o f glycole and pinacole, respectively, with M oN (0-r-B u)3 and M oN C 13, the latter in the presence o f a base, lead to the /rä-chelate com ­ plexes M o(O C 2H40) 3 and M o(OC:M e40) 3, respectively. The complexes were characterized by 'H and l3C N M R spectroscopy, the chelate complexes in addition by X-ray structure analysis. [Mo(OC-,H40) 3]: Space group P 2,/c, Z = 4, 2177 observed unique reflections. R = 0.047. Lattice dim ensions at -4 0 °C: a = 1168.3(2), b = 716.0(1), c = 1206.1(2) pm, ß = 92.84(1)°. [M o(OC2Me40) 3] • 2 C H 2C12: Space group Pbcn, Z = 4, 1860 observed unique reflections, R = 0.049. Lattice dimensions at -8 0 °C: a = 1772.3(1), b = 1023.8(1), c = 1600.0(2) pm. Both complexes form monomeric molecules, in which the molybdenum atom s are surround­ ed in a distorted octahedral fashion by the six oxygen atom s o f the chelates. 
  Reference    Z. Naturforsch. 47b, 706 (1992); eingegangen am 24. Oktober 1991 
  Published    1992 
  Keywords    Chelate Complexes o f M olybdenum, Synthesis, N M R Spectra, Crystal Structure 
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 Identifier    ZNB-1992-47b-0706 
 Volume    47 
38Author    Gerhard Hägele, Peter Reinemer3, Michael Batzb, DietrichM. OotzRequires cookie*
 Title    Kristallstruktur und molekulare Dynamik eines  
 Abstract    Stereoisomeren von (P,P,P",P"-Tetraphenyl)-l,l,2,2-ethan-tetrakisphosphinsäuretetraisopropylester Crystal Structure and M olecular Dynamics of a Stereoisomer of (P,P',P",P'"-Tetraphenyl)-l,l,2,2-ethane-tetraphosphinic Acid Tetraisopropylester The crystal and molecular structure o f (P,P',P",P"'-tetraphenyl)-1,1,2,2-ethane-tetraphos-phinic acid tetraisopropylester has been determined from single-crystal M oK a diffractometer data. The crystals are monoclinic with space group C2/c, Z = 4, a = 2054.5(9), b = 1189.8(5), c = 1800.8(8) pm, ß = 110.07(3)°. The structure was solved by direct methods and refined to R -0.046. A 250 ps-vacuo-trajectory was calculated using the Molecular Dynamics program G R O M O S. Structural data and M D results are compared to N M R spectroscopic data. A Karplus-type relation was confirmed for coupling constants 3ypp. 
  Reference    Z. Naturforsch. 47b, 725—7 (1992); eingegangen am 31. Juli 1991 
  Published    1992 
  Keywords    Crystal Structure, Conformation, Configuration, M D Analysis, N M R Spectra 
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 Identifier    ZNB-1992-47b-0725 
 Volume    47 
39Author    MichelM. Olinier, W. Erner MassaRequires cookie*
 Title    Die Kristallstrukturen der Tetrafluoromanganate(III) AMnF4 (A = K, Rb, Cs) The Crystal Structures o f the Tetrafluorom anganates(III) A M nF 4 (A = K, Rb, Cs)  
 Abstract    The crystal structures o f A M nF 4 com pounds (A = K, Rb, Cs) were determined by X-ray diffraction on twinned single crystals: The K and Rb com pound are isostructural: space group P 2,/a, Z -4; K M nF 4: lattice constants a = 769.9(2), b = 764.4(2), c = 576.9(1) pm, ß = 
  Reference    Z. Naturforsch. 47b, 783—7 (1992); eingegangen am 14. Oktober 1991 
  Published    1992 
  Keywords    Manganese(III), Fluorom anganates(III), Crystal Structure, Layered Structures 
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 Identifier    ZNB-1992-47b-0783 
 Volume    47 
40Author    M. Athias, O. Senge, KevinM. SmithRequires cookie*
 Title    -octaethyl-porphodimethene-thallium(III) Chloride  
 Abstract    The crystal structure of the title com pound was determined in order to obtain structural information on a tetrapyrrole bearing meso-oxo-functions. C36H 4,N 40 2T1C1 • C H 3OH, P 1, a = 10.358(2), b = 12.344(3), c = 15.490(3) Ä, a = 84.36(2)°, ß = 78.53(2)°, y = 82.26(2)°, V = 1918.2(7) Ä3, Z = 2, 130 K, R = 0.04 for 6749 reflections with I > 4er(I). The structure consists of the penta-coordinated thallium ligated by the four nitrogens of the porphodimethene ligand and a chloride in the axial position. The central macrocycle shows some degree of ruffling with the carbonyl groups pointing slightly above and below the mean plane of the molecule. 
  Reference    Z. Naturforsch. 47b, 837—841 (1992); received December 5 1991 
  Published    1992 
  Keywords    /F ebruary 28, 1992 Crystal Structure, 5, 15-Dioxo-porphodimethene, Tetrapyrroles, Oxoporphyrins 
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 Identifier    ZNB-1992-47b-0837 
 Volume    47 
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