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  • Springer  (2)
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  • 1
    Electronic Resource
    Electronic Resource
    The crystal and molecular structure of diaquadichlorotheophyllinecopper(II) (1979)
    Springer
    Transition metal chemistry 4 (1979), S. 221-224 
    Details
    ISSN: 1572-901X
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Summary The crystal structure of CuCl2(C7H8N4O2)(H2O)2 has been determined from diffractometer data by Patterson and Fourier methods and refined by full-matrix least-squares to R=0.067 for 2123 observed reflections. Unit cell constants are:a=9.930(8),b=9.987(8),c=7.483(6) Å,α=123.2(1),β=94.5(1),γ= 83.9(1)°. The space group is P¯1 withZ=2. The structure consists of diaquadichlorotheophyllinecopper(II) complexes linked by hydrogen bonds. The coordination polyhedron of copper is a square pyramid whose base, severely tetrahedrally distorted, is formed by a water molecule [Cu-Ow=2.025(7) Å], two chlorines [Cu-Cl=2.273(4), 2.296(4) Å] and an imidazole nitrogen [Cu-N=1.983(9) Å] from the theophylline ligand. A second water molecule is at the apex of the pyramid [Cu-Ow=2.292(7) Å]. Coordination is completed to a distorted octahedral one by a long Cu ... O=3.164(7) Å contact involving the exocyclic oxygen at C6 of the theophylline ligand.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00619172
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  • 2
    Electronic Resource
    Electronic Resource
    Crystal and molecular structure of nitrosyl(1,10-phenanthroline)-bis(triphenylphosphine)iridium(I) Dihexafluorophosphate, [Ir(NO)(phen)(PPh3)2][PF6]2 (1980)
    Springer
    Transition metal chemistry 5 (1980), S. 102-105 
    Details
    ISSN: 1572-901X
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Summary The structure of [Ir(NO)(phen)(PPh3)2][PF6]2 has been determined from x-ray diffractometer data. The compound crystallizes in space groupPnam with four molecules in a unit cell witha = 19.924(12),b = 14.793(9) andc = 16.348(9) A. Full-matrix least-squares refinement has led to a final R value of 0.061 for the 4796 observed reflections. The structure consists of well-separated ions, and the geometry around the metal is trigonal bipyramidal with nitrosyl and bidentate 1,10-phenanthroline (in spite of the very narrow bite angle of 75.8°) ligands occupying the equatorial positions and the triphenylphosphine ligands the axial positions. The cation has an imposed crystallographicm symmetry. Important bond lengths are as follows: Ir-P, 2.391(3): Ir-N (nitrosyl) 1.700(12): Ir-N (1,10-phenanthroline) 2.103(12) and 2.142(11): N-O, 1.201(18)A. The nitrosyl ligand is linear [Ir-N-O = 179.9(9)°] so that this complex can be formulated as an NO+ complex of iridium(I).
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01396881
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