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  • Aircraft Stability and Control
  • GENERAL
  • Inorganic Chemistry
  • 1995-1999  (15)
  • 1955-1959
  • 1997  (15)
  • 1
    ISSN: 0009-2940
    Keywords: Alkoxopalladium(II) ; Conformational analysis ; Hydrogen bonding ; Two-dimensional and cage structures ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The reaction of palladium acetate with two equivalents of di- and triethanolamines RN(CH2CH2OH)2 in the presence of a base affords the new chelate-stabilized alkoxo Pd(II) complexes [Pd(OCH2CH2N(R)CH2CH2OH)2] [R = Me (1), Et (2), n-Bu (3), benzyl (4) or CH2CH2OH (5)]. These N,O-ligated complexes are isolated in high yield as yellow, crystalline solids and are thermally stable despite the presence of several β-hydrogen atoms in the ligand system. Both complexes possess a square-planar palladium coordination geometry with the two oxygen atoms positioned mutually trans. The most notable difference in the molecular structures is that 1 forms a two dimensional network of intermolecular O-H≡O hydrogen bonds, whereas 5 forms intramolecular O-H⃛O hydrogen bonds, which cage the palladium center. In solution 1-4 exist as a diastereoisomeric mixture (a racemic enantiomeric pair SNSN, RNRN and a mesomeric form RNSN) in a 1:1 molar ratio, and this ratio is independent of temperature in nonalcoholic solvents, When complexes 1-4 are dissolved in protic solvents (e.g. MeOH) the diastereomeric excess is temperature-dependent due to an exchange process between the meso diastereoisomer and the (racemic) enantiomeric pair. Thermodynamic parameters for this process in a mixture of MeOH-toluene have been determined with NMR and show this process to be influenced by the steric nature of the alkyl substituent (R) on nitrogen. A conformational analysis based on 1H-NMR coupling constants within the N,O-chelate ring of complexes 1-4 provides details on the solution structure of the ring in both diastereoisomers.
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  • 2
    ISSN: 0009-2940
    Keywords: Hydroxymethyl phosphanes ; Gold ; Trigonal gold(I) complexes ; Tetrahedral gold(I) complexes ; P ligands ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The reactions of water-soluble phosphanes P(CH2OH)3 (1) and Ph2PCH2OH (2) with NaAuCl4 in aqueous or alcoholic media, produced the water/alcoholic-soluble AuI complexes [Au(Ph(CH2OH)3)4]+ (3) and [Au(Ph2PCH2OH)3+ (4) in near quantitative yields. The X-ray structures of 3 and 4, reported in this paper, confirm the structures of these new generation of water-soluble transition metal complexes. All compounds were characterized by 1H-, 13C-, 31P-NMR spectroscopy and mass spectrometry. The structures of 3 and 4 were determined by X-ray crystallography.
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  • 3
    ISSN: 0044-2313
    Keywords: Pseudoelement compounds ; cyanamidonitrate ; copper(I) ; silver(I) ; platinum(II) ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Pseudoelement Compounds. XI. [1] Investigations on the Coordination Behaviour of Cyanamidonitrate [NO2NCN]-With the ionic, potentially ambidentate ligand cyanamidonitrate complexes of the types [MX(PPh3)3], [MX(PPh3)2]2 (M=CuI, AgI) and trans-[Pt(H)X(PPh3)2] (X-=[NO2NCN]-) are introduced. The new compounds are characterized by 1H NMR, 31P NMR, and IR spectroscopy. The crystal structures of [Cu(NO2NCN)(PPh3)2]2 and [Ag(NO2NCN)(PPh3)2]2 are reported. In the complexes [MX(PPh3)3] and trans-[Pt(H)X(PPh3)2] cyanamidonitrate is unidentately coordinated through the nitrile group end-on. In the dimeric complexes [MX(PPh3)2]2 the anion acts bidentately as a bridging ligand. Surprisingly, both coordinative bonds are formed through nitrogen atoms of the NCN group.
    Notes: Es werden mit dem ionischen, potentiell ambidenten Liganden Cyanamidonitrat Komplexe der Typen [MX(PPh3)3], [MX(PPh3)2]2 (M=CuI, AgI) sowie trans-[Pt(H)X(PPh3)2] (X-=[NO2NCN]-) vorgestellt. Die Verbindungen wurden 1H-NMR-, 31P-NMR- und IR-spektroskopisch charakterisiert. Für [Cu(NO2NCN)(PPh3)2]2 und [Ag(NO2NCN)(PPh3)2]2 liegen Kristallstrukturanalysen vor.Cyanamidonitrat wird in den Komplexen [MX(PPh3)3] und trans-[Pt(H)X(PPh3)2] einzähnig über das endständige N-Atom der Nitrilgruppe koordiniert. In den dimeren Komplexen [MX(PPh3)2]2 liegt das Anion als zweizähniger Brükkenligand vor. Überraschend werden beide koordinativen Bindungen über die Stickstoffatome der NCN-Gruppe ausgebildet.
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  • 4
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 179-183 
    ISSN: 0044-2313
    Keywords: Linkage isomers ; Pentachloromonothiocyanato(N)-rhenate(IV) ; Pentachloromonothiocyanato(S)-rhenate(IV) ; Crystal Structure ; Normal Coordinate Analysis ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Preparation, Crystal Structure, and Normal Coordinate Analysis of Linkage Isomeric Pentachlororhodanorhenates(IV)By treatment of [ReCl5I]2- with (SCN)2 in dichloromethane the linkage isomers [ReCl5(NCS)]2- and [ReCl5(SCN)]2- are formed which have been separated by ion exchange chromatography on diethylaminoethyl cellulose. The X-ray structure determination on single crystals of (n-Bu4N)2[ReCl5(NCS)] (monoclinic, space group P21/n, a = 10.728(5), b = 11.572(5), c = 35.414(5), β = 91.896(5)°, Z = 4) and (n-Bu4N)2[ReCl5(SCN)] (monoclinic, space group P 21/c, a = 15.447(5), b = 31.140(5), c = 19.459(5), β = 109.660(5)°, Z = 8) reveals that the thiocyanate group is bonded with the Re-N-C angle of 170.6° or Re-S-C angles of 104.4° and 106.3°. The IR and Raman spectra of both linkage isomers are assigned by normal coordinate analysis using the molecular parameters of the X-ray determination. The valence force constants are fd(ReN) = 1.72 and fd(ReS) = 1.30 mdyn/Å.
    Notes: Bei der Umsetzung von [ReCl5I]2- mit (SCN)2 in Dichlormethan entstehen die Bindungsisomeren [ReCl5(NCS)]2- und [ReCl5(SCN)]2-, die durch Ionenaustauschchromatographie an Diethylaminoethyl-Cellulose getrennt werden. Die Röntgenstrukturanalyse an Einkristallen von (n-Bu4N)2[ReCl5(NCS)] (monoklin, Raumgruppe P21/n, a = 10,728(5), b= 11,572(5), c = 35,414(5), β = 91,896(5)°, Z = 4) und (n-Bu4N)2[ReCl5(SCN)] (monoklin, Raumgruppe P21/c, a = 15,447(5), b = 31,140(5), c = 19,459(5), β = 109,660(5)°, Z = 8) zeigt, daß die Thiocyanatgruppe unter dem Re—N—C-Winkel von 170,6° bzw. den Re—S—C-Winkeln von 104,4° und 106,3° gebunden ist. Unter Verwendung der röntgenographisch ermittelten Molekülparameter lassen sich die IR- und Raman-Spektren der beiden Bindungsisomeren mit Hilfe einer Normalkoordinatenanalyse zuordnen. Die Valenzkraftkonstanten betragen fd(ReN) = 1,72, und fd(ReS) = l,30 mdyn/Å.
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  • 5
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 439-443 
    ISSN: 0044-2313
    Keywords: Barium ; molybdenum oxyfluoride ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Synthese und Kristallstruktur von Ba4Mo2O5F7(HF2)3 · H2OEinkristalle von Ba4Mo2O5F7(HF2)3 · H2O wurden durch hydrothermale Synthese erhalten. Die Röntgenstrukturbestimmung ergab: Raumgruppe Pnnm, Z = 4, a = 16,497(1), b = 8,6939(5), c = 11,5174(6) Å (R = 0,0295, Rw = 0,0354 für 2425 unabhängige Reflexe und 126 Parameter). Mo ist im MoO3F3 verzerrt oktaedrisch umgeben. Zwei Oktaeder bilden, übereck verbunden durch O2-, (Mo2O5F6)4--Einheiten entlang der c-Achse. Die Ba-Atome liegen in zwei unterschiedlichen Umgebungen vor: einem quasi dreifach bekappten Kubus für Ba1 und Ba3 und einem dreifach bekappten trigonalen Prisma für Ba2.
    Notes: Single crystals of Ba4Mo2O5F7(HF2)3 · H2O are grown by hydrothermal synthesis. The structure is determined from X-Ray diffraction data: space group Pnnm, Z = 4, a = 16.497(1) Å, b = 8.6939(5) Å, c = 11.5174(6) Å (R = 0.0295, Rw = 0.0354 for 2425 independent reflections and 126 adjustable parameters). Mo atoms are in a distorted octahedral environment MoO3F3; two octahedra are linked by one O2- corner forming (Mo2O5F6)4- units lying along the c axis. Ba atoms present two kinds of environment: a quasi tricapped cube for Ba1 and Ba3 and a tricapped tricapped trigonal prism for Ba2.
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  • 6
    ISSN: 0044-2313
    Keywords: Tetrathiooxalate ; Trithiooxalate ; 1,1-Dithiooxalate ; Photolytic Reactions ; Moleculer Structure ; Copper(I) Complexes ; Extended Hückel Calculations ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Photolytic Reactions of Binuclear Thiooxalate Complexes - Crystal and Moleculer Structure of Hydrogensulfidopyridinebis(triphenylphosphane)copper(I)Solutions of the binuclear, thiooxalato bridged complexes with capping triphenylphosphane ligands are lightsensitive and decompose mainly with decomposition of the bridging thiooxalate. From μ-1,1-Dithiooxalatobis[bis(triphenylphosphane)copper(I)], [{(Ph3P)2Cu}2(i-dto)], in dichloromethane the binuclear copper(I) complex μ-dichlorotris(triphenylphosphane)dicopper(I), [(Ph3P)2CuCl2Cu(Ph3P)], with the total lost of the bridging thiooxalato ligand is formed. μ-Trithiooxalato-bis-[bis(triphenylphosphane)copper(I)], [{(Ph3P)2Cu}2(trto)], decomposes in pyridine with the formation of hydrogensulfidopyridinebis(triphenylphosphane)copper(I), [(Ph3P)2(py)CuSH]. This complex crystallizes in the triclinic space group P1, with the unit cell parameters a = 9,488(2) Å, b = 10,472(3) Å, c = 19,351(3) Å, α = 85,03(2)°, β = 86,99(2)° and γ = 68,36(2)°. Contrast ngly, the bridging thiooxalate ligand in the corresponding binuclear tetrathiooxalate complex, [{(Ph3P)2Cu}2(tto)], obviously remains unchanged. The proposed reaction pathways are supported by the results of Extended Hückel Calculations.
    Notes: Die Lösungen thiooxalatverbrückter Zweikernkomplexe mit terminalen Triphenylphosphanliganden sind lichtempfindlich und zersetzen sich überwiegend unter Zerfall des Thiooxalato-Brückenliganden. μ-1,1-Dithiooxala-to-bis[bis(triphenylphosphan)-kupfer(I)], [{(Ph3P)2Cu}2(i-dto)], bildet in Dichlormethan unter Verlust des Thiooxalato-Brückenliganden den chloroverbrückten Kupfer(I)-Zweikernkomplex μ-Dichlorotris(triphenylphosphan)dikupfer(I), [(Ph3P)2CuCl2Cu(Ph3P)]. μ-Trithiooxalato-bis[bis(triphenyl-phosphan)kupfer(I)], [{(Ph3P)2Cu}2(trto)], zersetzt sich in Pyridin unter Bildung von Hydrogensulfidopyridin-bis(triphenylphosphan)kupfer(I), [(Ph3P)2 (py)CuSH]. Der gebildete Komplex kristallisiert in der triklinen Raumgrupe P1, mit dem Elementarzellenparametern a = 9,488(2) Å, b = 10,472(3) Å, c = 19,351 (3) Å, α = 85,03(2)°, β = 86,99(2)° und γ = 68,36(2)°. Im Unterschied dazu bleibt beim entsprechenden Tetrathiooxalat-Zweikernkomplex, [{(Ph3P)2Cu}2(tto)], der Thiooxalato-Brückenligand offensichtlich erhalten. Die angenommenen Reaktionswege konnten durch quantenchemische Berechnungen (EHT) gestützt werden.
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  • 7
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 75-78 
    ISSN: 0044-2313
    Keywords: Cyclopolyarsane ; Hexa(4-methoxyphenyl)cyclohexaarsane ; Cyclohexaarsane ; Crystal Structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Preparation and Structure of Hexa(4-methoxyphenyl)cyclohexaarsaneHexa(4-methoxyphenyl)cyclohexaarsane 4 was prepared by the reaction of 4-methoxyphenylarsonic acid with hypophosphorous acid. The structure of 4 was determined by X-ray crystal structure analysis. The crystals of 4 are monoclinic, a = 6.258(6) Å, b = 21.687(19) Å, c = 15.583(14) Å, β = 100.11(7)°, spacegroup P21/c. 4 consists of a six-membered ring in chair conformation and centrical symmetry. The mean bond lengths and angles are As—As = 2.46 Å, As—C = 1.96 Å, As—As—As = 91°, As—As—C = 97°. NMR investigations proved the presence of several species in CDCl3 and C6D6 solutions, respectively.
    Notes: Hexa(4-methoxyphenyl)cyclohexaarsan 4 wurde durch Umsetzung von 4-Methoxyphenylarsonsäure mit Unterphosphoriger Säure erhalten. Die Struktur von 4 wurde durch Kristallstrukturanalyse bestimmt. Kristalle von 4 sind monoklin, a = 6.258 (6) Å, b = 21.687(19) Å, c = 15.583(14) Å, β = 100.11(7)°, Raumgruppe P21/c. 4 besteht aus einem zentrosymmetrischen Sechsring in Sesselkonformation. Die Bindungslängen und -winkel betragen im Mittel As—As = 2.46 Å, As—C = 1.96 Å, As—As—As = 91°, As—As—C = 97°. In CDCl3- bzw. C6D6-Lösungen von 4 konnten mittels NMR mehrere Spezies nachgewiesen werden.
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  • 8
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 1483-1488 
    ISSN: 0044-2313
    Keywords: Nonasodium bis(hexahydroxogallate) trihydroxide hexahydrate ; decasodium bis(hexahydroxogallate) tetrahydroxide ; disodium tetrahydroxogallate chloride ; crystal structure ; 71Ga MAS NMR ; 23Na MAS NMR ; DTA, DTG, guinier lenné technique ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: About Crystalline Sodium HydroxogallatesTwo crystalline sodium hydroxogallates 4,5 Na2O · Ga2O3 · 13,5 H2O (I) and 5 Na2O · Ga2O3 · 8 H2O (II), as well as a crystalline phase of the composition Na2O · Ga2O3 · 4 H2O · 2 NaCl (III) are described.
    Notes: Es werden zwei kristalline Natriumhydroxogallate 4,5 Na2O · Ga2O3 · 13,5 H2O (I) und 5 Na2O · Ga2O3 · 8 H2O (II) sowie eine kristalline Phase der Zusammensetzung Na2O · Ga2O3 · 4 H2O · 2 NaCl (III) beschrieben.(I) kristallisiert aus Natriumgallatlösungen eines breiten Konzentrationsfeldes und hat nach Einkristallröntgenstrukturanalyse [1] eine dreidimensional vernetzte Struktur aus monomeren [Ga(OH)6]3--Anionen, die über NaO6-Koordinationspolyeder untereinander verbunden sind; daneben sind Kristallwasser und weitere Hydroxidionen enthalten.Damit ist (I) als Nonanatrium-bis(hexahydroxogallat)-trihydroxid-hexahydrat (Na9[Ga(OH)6]2(OH)3 · 6 H2O) zu formulieren; Isotypie besteht zu dem entsprechenden Natriumhydroxoaluminat [2, 3]. 5 Na2O · Ga2O3 · 8 H2O II) läßt sich aus (I) in Gegenwart von Natriumhydroxid durch Entwässern über P4O10 bei Raumtemperatur unter Schutzgas (N2) erhalten. Es kristallisiert tetragonal, ist isotyp mit Na10[Al(OH)6]2(OH)4 [4] und dementsprechend als Na10[Ga(OH)6]2(OH)4 zu formulieren. Durch Zusatz von Natriumchlorid zu Natriumgallatlösungen läßt sich Na2O · Ga2O3 · 4 H2O · 2 NaCl (III) isolieren, das ebenfalls tetragonal und isotyp zu Na2[Al(OH)4]Cl [5] ist. Es handelt sich demnach um das Dinatriumtetrahydroxogallatchlorid Na2[Ga(OH)4]Cl. Die Ergebnisse der 71Ga- und 23Na-MASNMR-Messungen an den Verbindungen (I) bis (III) und deren thermisches Verhalten werden diskutiert.(I) crystallizes from sodium gallate solutions in a wide concentration field; from the X-ray single crystal diffraction analysis [1] results a three dimensional network structure, consisting of monomeric [Ga(OH)6]3- anions connected by NaO6 octahedra groups. Furthermore the structure contains water of crystallization and further hydroxide ions. (I) has to be formulated as nonasodium bis(hexahydroxogallate) trihydroxide hexahydrate Na9[Ga(OH)6]2(OH)3 · 6 H2O; it is isotypic with the corresponding sodium hydroxoaluminate [2, 3]. 5 Na2O · Ga2O3 · 8 H2O (II) was obtained from (I) in presence of sodium hydroxide by dehydration over P4O10 in an inert atmosphere (N2) at room temperature. (II) crystallizes tetragonally and is isotypic with Na10[Al(OH)6]2(OH)4 [4]. Accordingly it could be described as a decasodium bis(hexahydroxogallate) tetrahydroxide, Na10[Ga(OH)6]2(OH)4. Na2O · Ga2O3 · 4 H2O · 2 NaCl (III) was obtained by addition of sodium chloride to sodium gallate solutions, (III) crystallizes also tetragonally and is isotypic with (Na2[Al(OH)4]Cl [5]. Correspondingly, it has to be formulated as disodium tetrahydroxogallate chloride Na2[Ga(OH)4]Cl. The results of 71Ga and 23Na MAS NMR investigations of the compounds (I) to (III) and their thermal behaviour are discussed.
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  • 9
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 623 (1997), S. 119-121 
    ISSN: 0044-2313
    Keywords: Metal hydrides ; crystal structure ; neutron diffraction ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Cs2CaH4, a New Hydride: The Atomic Volume of Hydrogen as a Criterion to Check Crystal Structure and CompositionAccording to the investigations of Park, Pezat, and Darriet CsCaH3 crystallizes in the GdFeO3 structure type. As the resulting atomic volume of hydrogen is too small for a ionic hydride a re-examination of the crystal structure has been carried out. The results of our investigations show that the compound under discussion is actually Cs2CaH4. It crystallizes in the K2NiF4 structure type with the expected atomic volume for hydrogen. The complete crystal structure has successfully been determined by a neutron diffraction experiment on the deuteride Cs2CaD4.
    Notes: Nach Untersuchungen von Park, Pezat und Darriet soil CsCaH3 im GdFeO3-Typ kristallisieren. Anlaß für eine Neuuntersuchung war das für salzartige Hydride wesentlich zu geringe Volumeninkrement des Wasserstoffs in der angegebenen Struktur von CsCaH3. Die Ergebnisse unserer Untersuchungen zeigen, daß es sich um die Verbindung Cs2CaH4 handelt, die im K2NiF4-Typ mit dem für Wasserstoff zu erwartenden Volumeninkrement kristallisiert. Die vollständige Strukturbestimmung gelang über ein Neutronenbeugungsexperiment, bei dem das Deuterid Cs2CaD4 eingesetzt wurde.
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  • 10
    ISSN: 0044-2313
    Keywords: Iodo-thiocyanato cuprate(I) ; Iodo-thiocyanato argentate(I) ; crystal structure ; heterocubane type anions ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Synthesis and Structure Investigations on Iodocuprates(I). XVII. Crystal Structures of Polymeric Iodo-thiocyanato Metallates(I) with Heterocubane-like Structure Units: [(C2H5)4N+]2∞3[Cu4I4(SCN)4/22-] · 2(CH3)2CO and [(C2H5)4N+]2∞2[Ag 4I4(SCN)4/22-] · (CH3)2COThe reaction of CuSCN and AgSCN with (C2H5)4NI in acetone results in the formation of new Iodothiocyanato cuprates(I) or argentates(I) with polymeric anion lattices and areas of holes in which the cations and solvent molecules are inserted.[(C2H5)4N+]2∞3[Cu 4I4(SCN)4/22-] · 2(CH3)2CO 1 crystallizes in the monoclinic space group P21 with a = 1205.7(1), b = 2489.1(3), c = 1238.0(1) pm; β = 93.04(1)°; V = 3710.1(8) 106 pm3; Z = 2. Two different, negatively charged heterocubane units [Cu4I4(SCN)4/22-] are three-dimensionally connected by 1,3-μ-thiocyanato ligands forming a crystal structure with hose-shaped channels where cations and acetone molecules are placed.[(C2H5)4N+]2∞2[Ag 4I4(SCN)4/22-] · (CH3)2CO 2 crystallizes in the orthorhombic space group C2221 with a = 1206.7(1), b = 1398.2(1), c = 2318.8(2) pm; V = 3912.4(7) · 106 pm3; Z = 8. In this compound 1,3-μ-thiocyanato-bridged heterocubane units [Ag4I4(SCN)4/22-] form a layer structure with channel-shaped cavities vertical to them. Within these hollows there is again place for the cations and acetone molecules.
    Notes: Umsetzungen von CuSCN und AgSCN mit Tetraethylammoniumiodid in Aceton führen zu neuartigen, Iodo-thiocyanato-cupraten(I) bzw. -argentaten(I) mit polymeren Anionengittern, in deren Hohlräumen Kationen und Lösungsmittelmoleküle Platz finden.[(C2H5)4N+]2∞3[Cu 4I4(SCN)4/22-] · 2(CH3)2CO 1 kristallisiert in der monoklinen Raumgruppe P21; a = 1205,7(1), b = 2489,1(3), c = 1238,0(1) pm; β = 93,04(1)°; V = 3710,1(8) 106 pm3; Z = 2. Die Kristallstruktur ist aus zwei unterschiedlichen, zweifach negativ geladenen Heterocuban-Einheiten [Cu4I4(SCN)4/22-] aufgebaut. Diese sind über 1,3-μ-Thiocyanat-Liganden dreidimensional vernetzt. Zwischen den eckenverknüpften Heterocuban-Einheiten verlaufen schlauchförmige Kanäle, in denen sich die Kationen und Lösungsmittelmoleküle (Aceton) befinden.[(C2H5)4N+]2∞2[Ag 4I4(SCN)4/22-] · (CH3)2CO 2 kristallisiert in der orthorhombischen Raumgruppe C2221 mit den Zellparametern a = 1206,7(1), b = 1398,2(1), c = 2318,8(2) pm; V = 3912,4(7)· 106 pm3; Z = 8. In dieser Verbindung bilden 1,3-μ-SCN-verbrückte Heterocuban-Gruppen [Ag4I4(SCN)4/22-] polymere Schichten mit senkrecht dazu angeordneten, kanalförmigen Hohlräumen, in denen Kationen und Lösungsmittelmoleküle (Aceton) Platz finden.
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