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1997[X]
41Author    Z. NaturforschRequires cookie*
 Title    Die unterschiedlichen Strukturen des im Kristall verdrillten 1,4-Bis(tricyanvinyl)- benzols sowie des eingeebneten 1-Tricyanvinylbenzols, Dichtefunktional- Berechnungen und cyclovoltammetrisch sowie ESR/ENDOR-spektroskopisch charakterisiertes Reduktionsverhalten  
 Abstract    In te ra c tio n s in M o le cu lar C rystals, 127 [1] T h e D iffe re n t S tru c tu re s in th e C rystal o f T w isted l,4 -B is(tric y a n o v in y l)b e n z e n e as w ell as o f P la n a r 1-T ricyanovinyl-benzene, D e n sity F u n c tio n a l C a lc u la tio n s a n d R e d u c tio n B e h a v io u r S tu d ie d by C y c lo v o ltam m e try a n d E S R /E N D O R S p ec tro sc o p y H a n s B o c k 3*, W olfgang S eitz3, N o rb e rt N a g e l3, R ü d ig e r B a u rb, Jan W. B a ts3, Z d e n e k H a v la sc, R o d n e y F. C. C la rid g e d The attem pted crystal growth of l,4-bis(tricyanovinyl)benzene dianion salts, although wi­ thout success so far, has provided information of general interest. The crystal structures of the related mono and l,4-bis(tricyanovinyl)benzene derivatives differ considerably in their substituent group twisting angles: The two tricyanovinylbenzenes in split-positions exhibit dihedral angles of only 6° or 11°, whereas the two C2(CN)3 groups of the disubstituted benzene are conrotationally twisted by 48° out of the benzene plane. Density functional calculations with 6 -3 1 1 ++G** basis sets, however, predict identical values of 32° for both com pounds and, therefore, their crystal arrangements are discussed in detail for packing-enforced additional interactions. Cyclovoltammetric and ESR /EN D O R -m easurem ents pro­ vide inform ation on the redox behaviour, a prerequisite for attem pts to crystallize molecular anion salts: The 1,4-disubstituted derivative with a cyclovoltammetrically determ ined half­ wave reduction potential of +.14 V in aprotic TH F solution proves to be one of the strongest polycyano-substituted ^--acceptors and its radical anion can be selectively generated by T1 metal reduction as confirmed by its ESR/EN D O R spectra. Wechselwirkungen in Molekülkristallen, 127 [1] Ausgangspunkte 
  Reference    Z. Naturforsch. 52b, 1125—1138 (1997); eingegangen am 2. Juni 1997 
  Published    1997 
  Keywords    Tricyanovinyl Benzene Derivatives, Crystal Structure, Density Functional Calculations 
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 Identifier    ZNB-1997-52b-1125 
 Volume    52 
42Author    Rolf Minkwitz, Thomas Hertel, Uwe ZachwiejaRequires cookie*
 Title    Reaktion von Cacodylsäure (CF^^AsOOH im System HF / MF5 (M = As, Sb) und Kristallstruktur von Difluordimethylarsonium- hexafluoroantimonat (CH3)2AsF2SbF6 Reaction of Cacodylic Acid (CH3)2AsOOH in the System HF / MF5 (M = As, Sb), and Crystal Structure of Difluorodimethylarsonium Hexafluoroantimonate  
 Abstract    In the reaction of cacodylic acid (CH3)2AsOOH in the superacid system HF / MF5 (M = As, Sb) the difluorodimethylarsonium hexafluorometallates [(CH3)2AsF2]MF6 are formed and have been characterized by i.r. and Raman spectroscopy. The crystal structure of the hexafluoroanti­ monate has been determined at -100°C (orthorhombic space group Ibca with Z = 4, a = 10.973, b = 11.164, c = 14.200 pm). 
  Reference    Z. Naturforsch. 52b, 1185—1190 (1997); eingegangen am 1. Juli 1997 
  Published    1997 
  Keywords    Difluorodimethylarsonium Hexafluorometallates, Cacodylic Acid, Crystal Structure, Super Acid 
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 Identifier    ZNB-1997-52b-1185 
 Volume    52 
43Author    Rolf Minkwitz, Thomas HertelRequires cookie*
 Title    Kristallstruktur von Bromnitrat BrONC>2 Crystal Structure of Bromine Nitrate BrONO?  
 Abstract    The crystal structure of bromine nitrate BrONO, has been determined on a single crystal with M oK q radiation at -83°C. The structure is orthorhombic, space group P2,2 , 2 ,, Z = 4, and the cell dimensions are a = 403.2(2), b = 684.9(4), c = 1201.4(5) pm. An intermolecular Br.....O contact leads to the formation of chains within the crystal. Attempts to synthesize a bromine(III)-nitrate by oxidizing CF3Br and CCl3Br with C10N 02 were not successful. E inleitung 
  Reference    Z. Naturforsch. 52b, 1307—1310 (1997); eingegangen am 8. August 1997 
  Published    1997 
  Keywords    Crystal Structure, Bromine Nitrate, Chlorine Nitrate 
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 Identifier    ZNB-1997-52b-1307 
 Volume    52 
44Author    Hk Wulff, Müller-BuschbaumRequires cookie*
 Title    Planare C u 0 4-Polygone und eine einseitig offene Te4+0 3-Koordination in SrCuTe20 6 Planar C u 0 4 Polygons and a One-Sided Open Te4+0 3 Coordination in SrCuTe-,06 L  
 Abstract    The new compound SrCuTe20 6 has been prepared by quenching single crystals grown from a flux of SrC 03, T e02 and C uC 03 C u(0H)2. X-ray investigations show cubic symmetry, space group 0 7-P4| 32, lattice constant a = 12.473(1), Z = 12. The crystal structure is characterized by square planar C u 0 4 polygons and a one-sided open triangular oxygen coordination of Te4+, both incorporated in a Sr/O network. The one sided oxygen coordination of tellurium is completed by the lone pair of Te4+. Calculations of the Coulomb parts of lattice energy led to the position of the lone pair centre. 
  Reference    Z. Naturforsch. 52b, 1341—1344 (1997); eingegangen am 26. August 1997 
  Published    1997 
  Keywords    Strontium, Copper, Tellurium Oxide, Crystal Structure 
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 TEI-XML for    default:Reihe_B/52/ZNB-1997-52b-1341.pdf 
 Identifier    ZNB-1997-52b-1341 
 Volume    52 
45Author    Peter Höhn, Matthias Ludwig, Rüdiger KniepRequires cookie*
 Title    Die Kristallstrukturen der isotypen Erdalkalimetall-Nitridowolfra- mat(VI)-Nitrid-Oxide Ca51[WN4]12N803 und Sr51[WN4]12N803 The Crystal Structures of the Isotypic Alkaline Earth-Nitridotungstate(VI)- Nitride-Oxides Ca5, [W N 4] 12N 80 3 and Sr5! [W N 4] l2N 80 3  
 Abstract    Yellow single crystals of the isotypic phases Ca51 [WN4] 12N80 3 and Sr5|[WN4] i2N80 3 (tri­ clinic, P I (#2); a= 1056.4(3) / 1 1 13.1(5) pm, b = 1239.7(3) / 1304.4(5) pm, c= 1598.2(3) / 1679.4(9) pm, q = 102.78(1)/102.47(2)°, = 95.15(1)/95.43(3)°, 7 = 109.89(1)/109.77(2)°; Z = 1) were grown in a Tl-flux (Ca:Tl, molar ratio 5:1, W-crucible; Tmax = 1273K; reaction with Ni, 1 atm, 36 h) or from pellets (Sr2N + W, molar ratio 6:1; Tmax = 1023K; reaction with N2, 1 atm, 36 h). The crystal structures contain tetrahedral anions [WN4]6" in addition to isolated nitride and isolated oxide ions, which are octahedrally coordinated by Ca and Sr, respectively. 
  Reference    Z. Naturforsch. 52b, 1349—1358 (1997); eingegangen am 9. Juli 1997 
  Published    1997 
  Keywords    Nitridotungstate(VI), Nitride-Oxide, Preparation, Crystal Structure 
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 Identifier    ZNB-1997-52b-1349 
 Volume    52 
46Author    R. Üdiger, K. NiepRequires cookie*
 Title     
 Abstract    b[B2P20 8(0 H)] und Cs[B2P 2 0 8(0H)J: D ie ersten Borophosphate mit dreidimensional vernetzter Anionenteilstruktur R b[B 2P2O s(O H)] and C s[B 2P20 8(0 H)]: The First B oro p h o sp h ates with a T hree-dim ensional A nionic T etrahedral S tructure C ornelia Häuf, The isotypic borophosphates Rb[B2P20 8(0 H)] and Cs[B2P20 8(0 H)] were grown under hy­ drothermal conditions. The crystal structures were solved by single crystal methods (R b[B 2P20 8(0 H)]/C s[B 2 P20 8(0 H)]: monoclinic, 
  Reference    Z. Naturforsch. 52b, 1432—1435 (1997); eingegangen am 28. Juli 1997 
  Published    1997 
  Keywords    Boron, Crystal Structure, Framework, Channel, Phosphorus 
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 Identifier    ZNB-1997-52b-1432_n 
 Volume    52 
47Author    Prof, Dr, DrRequires cookie*
 Title    Aluminiumphosphate mit nichtzentrosymmetrischen Schicht-und Raumnetzstrukturen aus topologisch verwandten Motiven: 2. KA12(P 0 4 )2 (0 H )* 2 H 20  
 Abstract    Alum inum Phosphates w ith N on-C entrosym m etric Layer-and Fram ew ork-Structures o f Topologically R elated M otifs: 2. K A l2(P0 4)2(0 H)-2 H 20 Stefan D icka, Gisbert G roßm annb, G isela O hm sb, M anfred M üller0 KAl2(P04)2(0 H)-2H20 was obtained by the reaction of gibbsite with a potassium-phosphate solution of pH = 5.5 at 373 K. A single crystal X-ray structure analysis showed that it is an ordered, F-free K-analog of the microporous compound AIPO4-CI2 . Crystal data: orthorhombic space group P 2 \2 \2 \, a = 920.5(1), b = 970.7(2), c = 982.8(2) pm, Z -4. The structure consists of dimeric units of AIOö octahedra and AIO5 trigonal bipyramids, bridged by an OH and two bidentate phosphate groups. The dimers are linked by phosphate to form corrugated layers which are topologically related to the layers in KAl2(P04)2(0 H)-4H20 and minyulite. The layers are connected by Al-O-P and hydrogen bonds to a three dimensional framework structure with K ions in channel-like cavities. A neutron powder scattering experiment with KAb(P04)2(0 D)-2D20 showed that the bridging OD group and only one D of each water molecule are involved in hydrogen bonding. 31P MAS NMR spectra show two isotropic lines at 6iso = —6.9 and -18,7 ppm of the intensity ratio 1:1 and confirm the presence of two crystallographically independent P atoms in the unit cell. In the 'H MAS NMR spectra the water molecules and the bridging OH group show signals at 5.9 and 1.1 ppm, respectively. 
  Reference    Z. Naturforsch. 52b, 1447—1455 (1997); eingegangen am 9. September 1997 
  Published    1997 
  Keywords    Crystal Structure, Neutron Scattering, MAS NMR, Aluminium Phosphate 
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 Identifier    ZNB-1997-52b-1447 
 Volume    52 
48Author    Joachim Pickardt, B. Enedikt Staub, E. InleituRequires cookie*
 Title    Kristallstrukturen M etall(II)-Diazin Komplexe  
 Abstract    von Cd(pyrazin)Br2, Cd(pyrazin)I2, Cu(pyrazin)Cl2 und Cd(pyrimidin)(N0 3)2*2 H2 0 M etal(II) D iazine Com plexes: Crystal Structures o f C d(pyrazine)B r2, C d(pyrazine)I2, C u(pyrazine)C l2, and C d (p y rim id in e)(N 0 3)2-2H20 . Single crystals of the compounds Cd(pyrazine)Br2, Cd(pyrazine)I2, Cu(pyrazine)Cl2 and Cd(pyrimidine)(N03)2-2H20 were obtained by crystallisation from aqueous solutions of the metal salts and solutions of the respective diazine in an organic solvent. The structures of the pyrazine complexes consist of "supramolecular" networks of -M-pyrazine-M-and -M -(^2-Hal)2-M-chains. The pyrimidine complex shows a three dimensional network due to -M-pyrimidine-M-chains connected via hydrogen bonds between H (H ,0) and 0 (0 N 0 2). 
  Reference    Z. Naturforsch. 52b, 1456—1460 (1997); eingegangen am 27. August 1997 
  Published    1997 
  Keywords    Metal Halide Pyrazine Adducts, Cadmium Pyrimidine Complex, Crystal Structure 
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 Identifier    ZNB-1997-52b-1456 
 Volume    52 
49Author    P. Etra, W. Ollesen, JoachimW. Kaiser, W. Olfgang, JeitschkoRequires cookie*
 Title    Quaternary Equiatomic Compounds LnZnSbO (Ln = La -Nd, Sm) with ZrCuSiAs-Type Structure  
 Abstract    The five compounds LnZnSbO (Ln = La -Nd, Sm) were prepared by annealing cold-pressed pellets of the lanthanoids, zinc oxide, and antimony, or by reacting these components in a NaCl/KCl flux. They crystallize with the tetragonal ZrCuSiAs type structure, which was refined from single-crystal X-ray data of CeZnSbO : P 4/nmm, a = 419.76(4), c = 947.4(1) pm, Z = 2, R = 0.022 for 165 structure factors and 12 variable parameters. Chemical bonding in this and the formally isotypic compound CeZni-* Sbi is briefly discussed. 
  Reference    Z. Naturforsch. 52b, 1467—1470 (1997); received August 8 1997 
  Published    1997 
  Keywords    Rare Earth Metals, Quaternary Pnictide Oxides, Crystal Structure 
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 Identifier    ZNB-1997-52b-1467 
 Volume    52 
50Author    Thomas Miekisch, Klaus Harms, Sigrid Wocadlo, Werner Massa, Bernhard Neumüller, Christoph Frommen, Kurt Dehnicke, Herrn Prof, J. Dr, LorberthRequires cookie*
 Title    [TiJv Cl8(NPMe3)3]Cl und [Vnw vCl4(NPPh3)3] Crystal Structures of the Phosphoraneiminato Complexes [Ti3v Cl8(NPMe3)3]Cl and [vl"/IVCl4(NPPh3)3]  
 Abstract    [Ti3Cl8(NPMe3)3]Cl has been prepared by the reaction of TiCl3(THF)3 with Me3SiNPMe3 in dichloromethane forming green moisture sensitive crystals. According to the crystal structure determination the titanium atoms of the cation [Ti3Cl8(NPMe3)3]+ are linked by two /x3-N atoms of two NPMe3~ groups forming a distorted trigonal-bipyramidal arrangement. The third NPMe3_ group and two of the chlorine atoms have /i2-bridging functions. The mixed-valence complex [V2Cl4(NPPh3)3] is formed as dark green moisture sensitive crystals by the reaction of vanadium trichloride with Me3SiNPPh3 in boiling toluene. According to the crystal structure determination the vanadium atoms are linked by two /z2-N atoms of two NPPh3_ groups forming a nonplanar V2N2 four-membered ring with a V-V distance of 266.8(1) pm which corresponds to a (a, 1/27r) bond type. This is confirmed by the measurement of the magnetic susceptibility which leads to a magnetic moment of 1.45(5) B. M., corresponding to the remaining d 1 -electron. 
  Reference    Z. Naturforsch. 52b, 1484—1490 (1997); eingegangen am 8. September 1997 
  Published    1997 
  Keywords    Phosphoraneiminato Complexes, Titanium, Vanadium, Crystal Structure 
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 Identifier    ZNB-1997-52b-1484 
 Volume    52 
51Author    LiAnsgar Bach, Michael Hoyer, Hans HartlRequires cookie*
 Title    Darstellung und Kristallstruktur der oligomeren Iodo-d10-metallate(II) [M(I)(CH3CN)4]4[Cd6I16] * 1,5 CH3CN mit M(I) = Cu, Li Synthesis and Crystal Structure of the Oligomeric Iodo-d10-Metalates(II) [M(I)(CH3CN)4]4[Cd6I16] * 1.5 CH3CN with M(I) = Cu  
 Abstract    The reaction of Cul or Lil with Cdl2 in the polar solvent acetonitrile results in the formation of the iodocadmates [Cu(CH3CN)4]4[Cd6I16] • 1.5CH3CN (1) and [Li(CH3CN)4]4[Cd6I 16] • 1.5CH3CN (2) with the oligomeric anion [Cd6I16]4~. This new type of halometallate anion, which is found in both isotypic structures, is built up by six alternating corner and edge sharing Cdl4 tetrahedra. 1: Space group PI (No 2), a = 838.5(4), b = 1465.9(9), c = 1929.8(6) pm, q = 93.01(3), ß = 99.13(3), 7 = 105.11(3)°; 1: Space group P i (No 2), a = 841.7(8), b = 1470(9), c = 1945.5(9) pm, a = 93.27(5), ß = 99.13(5), 7 = 104.83(5)°. 
  Reference    Z. Naturforsch. 52b, 1497—1500 (1997); eingegangen am 15. September 1997 
  Published    1997 
  Keywords    Iodocadmates, Lithium Iodocadmate, Copper Iodocadmate, Crystal Structure 
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 Identifier    ZNB-1997-52b-1497 
 Volume    52 
52Author    Hiroyuki Ishida, Masakazu Kato, Hiroshi Ono, Ryuichi IkedaRequires cookie*
 Title    Cationic Self-diffusion in Solid Choline Perchlorate Studied by NMR  
 Abstract    The 1 H spin-lattice and spin-spin relaxation times, and the second moment of the 1 H NMR linewidth of choline Perchlorate, [(Cff^NCfFCHiOHJClC^, were measured in its highest-temperature solid phase, i. e. above 275 K. X-ray powder patterns taken at ca. 380 K revealed that in this phase the crystal has a CsCl-type cubic structure (a = 6.326(4) A and Z = 1). From *H NMR experiments it was found that the cations in this phase undergo isotropic rotation and translational self-diffusion. From the 1 H T, measurements, the activation energies of the cationic rotation and self-diffusion were evaluated to be 21.4 ± 0.4 and 62 ± 3 kJ mol -1 , respectively. 
  Reference    Z. Naturforsch. 52a, 637—639 (1997); received May 28 1997 
  Published    1997 
  Keywords    Ionic plastic phase, Self-diffusion, Crystal structure, Nuclear magnetic resonance 
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 TEI-XML for    default:Reihe_A/52/ZNA-1997-52a-0637.pdf 
 Identifier    ZNA-1997-52a-0637 
 Volume    52 
53Author    W. Olfgang Schneider, A.Lexander Sladek, A.Ndreas Bauer, Klaus Angermaier, H. Ubert, Schm IdbaurRequires cookie*
 Title    Structural Investigation of Bis(isonitrile)gold(I) Complexes  
 Abstract    The reaction of (MeNC)-, (PhNC)-and (MesNC)AuCl in tetrahydrofuran with an equimolar amount of the corresponding isonitrile ligand and one equivalent of Ag+X~ (X -= BF^ or CF3S O J) leads to the formation of the bis(isonitrile)gold(I) complexes (MeNC)aAu+ CFiSO ^ (1), (PhNC)2Au+ BF^ (2) and (M esNC)2Au+ BF^ (3). The crystal structures of 1, 2 and 3 have been determined. In compound 1 there are rod-like cations with a parallel packing into meandering puckered layers, in which the gold atoms have alternating A u-A u contacts of 3.611 and 3.624 A. In complex 2 the cations form long double-paddles, with the two paddles at an angle of 11.5°. The individual cations are well separated and have no sub-van-der-Waals A u-A u contacts. The crystal structure of 3 is similar, but with a smaller dihedral angle between the planes of the two mesityl rings (56.0°). 
  Reference    (Z. Naturforsch. 52b, 53—56 [1997]; received September 18 1996) 
  Published    1997 
  Keywords    Gold(I) Complexes, Isonitrile Complexes, Crystal Structure, Supramolecular Chemistry 
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 Identifier    ZNB-1997-52b-0053 
 Volume    52 
54Author    Stefan Sawusch, Uwe Schilde, Erhard UhlemannRequires cookie*
 Title    Ligandenaustauschreaktionen  
 Abstract    von ReCl4(PPh3)2 mit Salicylaldehyd-2-hydroxy(mercapto)anil. Struktur von Bis[salicylaldehyd-2-hydroxyanilato(2-)]rhenium(IV) Ligand Exchange Reactions of ReCl4(PPh3)2 with Salicylaldehyde-2-hydroxy(mercapto)anil. Molecular Structure of Bis[salicylaldehyde-2-hydroxyanilato(2-)]rhenium(IV)-hydroxyanilato(2-)]rhenium(IV) Ligand exchange reactions of tetrachloro-bis(triphenylphosphane)rhenium(IV) with sali-cylaldehyde-2-hydroxy(mercapto)anil were studied. The reaction products were characterized by mass spectroscopy. The crystal structure was determined by X-ray analysis for bisfsali-cylaldehyd-2-hydroxyanilato(2-)]rhenium(IV). Crystal data: a = 1987.1(18); b = 829.0(6), c -1296.9(7) pm, ß = 100.02(7) ; space group C 
  Reference    (Z. Naturforsch. 52b, 61—64 [1997]; eingegangen am 17. Juni 1996) 
  Published    1997 
  Keywords    Rhenium(IV) Chelates, Tridentate Diacidic Ligands, Crystal Structure, Bis[salicylaldehyde-2 
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 Identifier    ZNB-1997-52b-0061 
 Volume    52 
55Author    O. V. Quinzania, S. Tarullia, O. E. Pirob, E. J. Baranc, E. E. Castellano0Requires cookie*
 Title    Crystal Structure, Vibrational Spectra and Thermal Analysis of Bis(saccharinato)bis(pyridine)zinc(II)  
 Abstract    The crystal structure of [Zn(sac)2(py)2] has been de termined by single-crystal X-ray diffrac-tometry. It crystallizes in the monoclinic space group C2/c with Z = 4. We propose and discuss an assignment of its IR and Raman spectra, compatible with the structural characteristics. Its thermal behavior was investigated by means of TG and DTA methods. Some comparisons with related compounds are made. 
  Reference    Z. Naturforsch. 52b, 183—187 (1997); received July 1 1996 
  Published    1997 
  Keywords    Zinc, Saccharin/Pyridine, Crystal Structure, IR Spectra, Raman Spectra 
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 Identifier    ZNB-1997-52b-0183 
 Volume    52 
56Author    X. =. Cl, I. V. Br, W. Lorenzen, PreetzRequires cookie*
 Title    Kristallstrukturen von Oi-Bu4N)  
 Abstract    [B6C16], (w-Bu4N)[B6Br6] und (Ph3P=N=PPh3)[B6I6] sowie Schwingungsspektren und Normal-koordinatenanalyse der Hexahalogeno-c/osö-Hexaboratradikal-anionen [B6X6]~, X = Cl, Br, I Crystal Structures of («-Bu4N)[B6C16], (rc-Bu4N)[B6Br6], and (Ph3P=N=PPh3)[B6I6], and Vibrational Spectra and Normal Coordinate Analysis of the Hexahalogeno-c/oso-hexaborate Radical Anions [B6X6]-, Oxidation of hexahalogeno-c/oso-hexaborates [B6X6]2_, X = Cl, Br, I, with (NH4)2[Ce(N03)6] in ethanol yields coloured radical ions [B6X6]~. X-ray structure determina­ tions have been performed on single crystals of («-Bu4N)[B6Cl6] (1) (monoclinic, space group P2,/c,a = 13.144(2),6 = 12.594(2),c = 17.688(5) A,ß = 107.29(2)°,Z=4),(«-B u4N)[B6Br6] (2) (monoclinic, space group P2,/c, a = 13.529(5), b = 13.096(5), c = 17.863(5) Ä, ß = 107.20(5)°, Z = 4) and (Ph3P=N=PPh3)[B6I6] (3) (triclinic, space group P I, a = 9.3137(8), b = 10.6988(10), c = 11.8760 A, a = 102.220(7), ß = 99.34J(8), 7 = 96.030(7)°, Z = 1). The average B-B distan­ ces are nearly equal (1.733 Ä (1), 1.728 A (2), 1.728 A (3)) while the B-X distances increase (1.762 A (1), 1.912 A (2), 2.120 A (3)). Using the molecular parameters, normal coordinate analyses have been performed and a good agreement of observed and calculated frequencies of 11B and 1 'B labelled derivatives has been achieved. The valence force constants fd(BB) and fd(BX) of [B6X6]" are 1.17 and 4.17 (X = Cl), 1.18 and 3.34 (Br) and 1.18 and 2.60 mdyn/A (I), respectively. 
  Reference    Z. Naturforsch. 52b, 565—572 (1997); eingegangen am 19. Februar 1997 
  Published    1997 
  Keywords    Hexahalogenohexaborates( 1 -), Crystal Structure, Vibrational Spectra, Normal Coordinate Analysis 
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 Identifier    ZNB-1997-52b-0565 
 Volume    52 
57Author    Antje Albert, D. Ietrich, M. OotzRequires cookie*
 Title    Formation and Crystal Structures of the Hydrates of 18-Crown-6 [1]  
 Abstract    The melting diagram of the system 18-crown-6/water has been set up and the existence of four binary hydrates confirmed. Crystal structures have been determined for three of these, in addition to that for the hexahydrate already published. The hydrates are monoclinic, a tetrahydrate (previously reported as a 4.5-hydrate) with space group P2|/c and Z = 2 formula units per unit cell, an octahydrate with I2/a and Z = 4, and a dodecahydrate with P2i/n and Z= 2. In each structure the crown ether molecule has the (pseudo) D.^ conformation common for many of its complexes, and is immediately hydrogen-bonded by a group of four water molecules in a similar, characteristic pattern. In the tetrahydrate, with one of the waters disordered, the total connectivity is that of a 1D chain, while the overall structures of the octa-and dodecahydrate are 3D networks. Four of the six independent water molecules in the dodecahydrate are linked with each other into a rare 2D ice-like layer. 
  Reference    Z. Naturforsch. 52b, 615—619 (1997); received January 15 1997 
  Published    1997 
  Keywords    Crown Ether, Crystal Structure, Hydrate, Hydrogen Bonding, Melting Diagram 
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 TEI-XML for    default:Reihe_B/52/ZNB-1997-52b-0615.pdf 
 Identifier    ZNB-1997-52b-0615 
 Volume    52 
58Author    Hans-Christian Böttcher, Kurt Merzweiler, Clemens BruhnRequires cookie*
 Title    Synthesis and X -R a y C rysta l Structure o f the Heterobim etallic Com plex [F eR h (/x-C O )(C O )3(/i-P B u '2)(M -Ph2PC H 2PPh2)]  
 Abstract    The reaction of the phosphido-bridged metal carbonyl [FeRh(CO)ö(At-PBu2)] (1) with dppm [dppm = bis(diphenylphosphino)methane] leads to the heterobimetallic complex [FeRh(/z-CO)(CO)3()U-PBu2)(/i-dppm)] (2) in good yields. The molecular structure of 2 was determined at room temperature [triclinic, space group Pi, a = 9.509(6), b = 13.637(5), c = 14.926(8) A, q = 81.38(4), ß = 82.75(4), 7 = 71.25(4)°]. The compound acts as a homogeneous catalyst precursor in the hydroformylation reaction of ethylene, but it decomposes during this process. 
  Reference    Z. Naturforsch. 52b, 810—814 (1997); received April 15 1997 
  Published    1997 
  Keywords    Dinuclear Iron Rhodium Complex, Phosphido-Bridged, Crystal Structure, Homogeneous Catalysis, Hydroformylation 
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 Identifier    ZNB-1997-52b-0810 
 Volume    52 
59Author    Z. NaturforschRequires cookie*
 Title    Mechanismus der Cyclotrimerisierung von Phenylvinylketonen und die Kristallstrukturen von 1-((1R*,2S*,3R*,5S*)-und 1-((1R*,2S*,3R*,5R*)- 3.5-Dibenzoyl-2-hydroxy-2-phenylcyclohexylmethyl)-pyrrolidin-2-on  
 Abstract    T h e M e ch a n ism o f C y c lo trim e risa tio n o f P h e n y lv in y lk e to n e s a n d th e C ry sta l S tru c tu re s o f 1-((1R *,2S*,3R *,5S*)-an d 1 -((1 R * ,2 S * ,3 R * ,5 R *)-3 .5 -D ib e n zo y l-2 -h y d ro x y -2 -p h e n y lcy c lo h e x y lm e th y l)-p y rro lid in -2 -o n H . M ö h rle 3 *, R. W ille3, B. M id d e lh a u v e b, D. M o o tz b, H . W u n d e rlic h 1 5 H errn Prof. Dr. E. R eim ann zu m 60. G ebu rtstag g e w id m e t The cyclotrimerisation of l-phenyl-2-propyn-l-ol (1) with pyrrolidin-2-one (2) to the tri-benzoylcyclohexanes 4 and 5 produced -with modifications of the reaction conditions -the phenylvinylketone adducts 17 and 18 as intermediates and additionally the cyclohexylmethyl-pyrrolidin-2-ones 8 and 9. Obviously the mechanism consists of a primary attack of pyrroli-din-2-onat (2a) to a phenylketone (7) followed by a series of consecutive Michael reactions, which give rise to 4 and 5 as well as to 8 and 9. The latter two have been identified by X-ray crystal structure analyses. They crystallize in the monoclinic space group P2j/c, Z=4, with 8: a = 1786,8(6), b = 636.7(2), c = 2280.9(8) pm,y3 = 102.33(3)°; 9: a = 1119.9(7), b = 1165.1(3), c = 2198.6(5) pm, ß = 118.24(4)°. 
  Reference    Z. Naturforsch. 52b, 859—872 (1997); eingegangen am 16. April 1997 
  Published    1997 
  Keywords    Michael Reaction, Polysubstituted Cyclohexanes, Diastereomeres, Consecutive Reactions, Crystal Structure 
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 TEI-XML for    default:Reihe_B/52/ZNB-1997-52b-0859.pdf 
 Identifier    ZNB-1997-52b-0859 
 Volume    52 
60Author    T. Koch, W. PreetzRequires cookie*
 Title    Darstellung, n B  
 Abstract    ,13 C -,1 H-NMR-und Schwingungsspektren von Phenylundecahydro-c/oso-dodecaborat(2-) sowie Kristallstruktur von [As(C6H5)4]2[(C6H5)B12H n ] Preparation, n B, 13C, 'H NMR and Vibrational Spectra of Phenylundecahydro-c/oso-dodecaborate(2-) and Crystal Structure o f [As(C6H5)4]2[(C6H5)B 12H n ] 
  Reference    Z. Naturforsch. 52b, 935—938 (1997); eingegangen am 2. Mai 1997 
  Published    1997 
  Keywords    Phenylundecahydro-c/oso-dodecaborate(2-), Crystal Structure, 'H NMR Spectra, Vibrational Spectra 
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 TEI-XML for    default:Reihe_B/52/ZNB-1997-52b-0935.pdf 
 Identifier    ZNB-1997-52b-0935 
 Volume    52 
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