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  • 1
    Electronic Resource
    Electronic Resource
    Springer
    Structural chemistry 5 (1994), S. 177-181 
    ISSN: 1572-9001
    Keywords: Monoclinic twinning ; crystal structure determination ; tetramethyltrifluoromethylcyclopentadienyl ; disorder ; sandwich complex
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The substituted sandwich complex crystallizes in monoclinic space groupP21/m withZ=2. Twinning to the (001) direction with the special conditionc */4a * = cosβ * causes systematic superposition of the reciprocal lattices of both domains and results in an apparent unit cell with double volume and the reflection condition (2h)kl, l=2n. The structure solution was obtained with the subset of intensity data for the predominant individuum and converged atR = 0.040,R w =0.046 for 832 independent observations and 122 variables. The molecules show disorder with respect to the crystallographic mirror plane. The structure is closely related to that of decamethylruthenocene.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    Springer
    Structural chemistry 8 (1997), S. 357-365 
    ISSN: 1572-9001
    Keywords: Mixed crystals ; intermolecular interactions ; packing effects ; crystallographic point symmetry ; space filling
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract A series of cocrystals of an organometallic tungsten complex with organic small molecules has been prepared and studied by single-crystal X-ray diffraction. Comparison of the five structures thus obtained allowed the measurement of the effects of the crystal environment on the molecular structure under investigation. Not only ‘soft’ torsional degrees of freedom but also bond angles, the point symmetry, and other geometrical features of the reference molecule have been found to vary significantly. It is concluded that parameters commonly ascribed to themolecular structure may in reality depend onintermolecular interactions.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    Springer
    Structural chemistry 6 (1995), S. 115-119 
    ISSN: 1572-9001
    Keywords: Host-guest system ; space filling ; molecular packing ; solvent intercalation ; crystal environment
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract When crystallized from appropriate solvents, the complex aqua-bis(dimethylglyoximato)nitrocobalt (III) may incorporate solvent molecules, thus forming a variety of mixed crystals. In the resulting host-guest crystals, the space groupP2l/m and the packing motif of the pure host compound are retained. Lattice constantsa andb remain essentially unaltered upon intercalation, whereasc and the monoclinic angleΒ depend largely on the clathrated guest. Space filling and intermolecular contacts are discussed.
    Type of Medium: Electronic Resource
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  • 4
    ISSN: 1572-9001
    Keywords: End-for-end disorder ; triple-decker complexes ; phospholyl ligand ; molecular pseudosymmetry
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The solid-state structure of the triple-decker salt [Cp*Fe(μ-η5:η5-C4Me4P)RuCp*] · CF3SO3 shows orientational disorder for the pseudosymmetric cations. A chemically related compound was used to define a restrained structure model. Comparison of different refinement strategies proves that this restrained model is superior to an unrestrained treatment.
    Type of Medium: Electronic Resource
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  • 5
    Electronic Resource
    Electronic Resource
    Springer
    Structural chemistry 5 (1994), S. 51-55 
    ISSN: 1572-9001
    Keywords: X-ray diffraction ; monoclinic twinning ; crystal structure determination ; dioxaborolane ; tetramethylurea adduct
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The title compound crystallizes in the monoclinic space groupP21/c. Twinning occurs between domains sharing thehk0 zone. The indices of imprecise intensity data were interpreted successfully. A subset of these data could be corrected and used in structure determination together with single-crystal intensity data of the predominant domain, whereas the remaining superposition data were excluded from refinement. Structure solution converged at satisfactory values ofR=0.082,R w=0.074. The structure consists of isolated Lewis acid base adducts.
    Type of Medium: Electronic Resource
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  • 6
    Electronic Resource
    Electronic Resource
    Springer
    Structural chemistry 5 (1994), S. 233-237 
    ISSN: 1572-9001
    Keywords: Solid-state reaction ; single-crystal reaction ; molecular packing ; 2-chloro-2-boraindane diethylether ; 2-chloro-2-boraindane
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The crystal structure of the Lewis acid-base adduct of 2-chloro-2-boraindane and diethylether was determined by X-ray diffraction. After abstraction of the boron-coordinated Et2O molecule in vacuo, the crystal and molecular structure of the solvent-free boraindane, earlier synthesized by Kaufmann and Schacht [1], was studied on the resulting crystalline material. The different crystal packing in both structures and a diffraction experiment on an oriented single crystal showed that the reaction is reconstructive and that a rearrangement of the molecules parallels the change in molecular geometry.
    Type of Medium: Electronic Resource
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  • 7
    ISSN: 1572-9001
    Keywords: Heptacoordinated vanadium ; X-ray structure ; orientational disorder
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The new complex Me3SnV(CO)6 is obtained from TlV(CO)6 and Me3SnI in 1,2-C2H4Cl2. Crystals of this complex are composed of molecules Me3SnV(CO)6 with heptacoordinated vanadium and a Sn-V bond length of 293.90(6) pm. The molecules possess crystallographic mirror symmetry and approximateC 3v symmetry. The crystal structure determination revealed a remarkable end-for-end orientational disorder in the molecular lattice.
    Type of Medium: Electronic Resource
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  • 8
    ISSN: 1572-9001
    Keywords: Topotactic phase transition ; packing ; mixed crystals ; early transition metals ; THF complexes
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Both single crystals of VCl3(THF)3 as well as isotypic cocrystals of the composition MCl3(THF)3, M=Ti/V ≈ 1/3, undergo a topotactic reversible phase transition to a hitherto unknown low-temperature modification. The close relationship between this new structure and the room-temperature phase determined by Cottonet al. is discussed from the molecular and the intermolecular point of view: Both modifications are built up by conformationally very similar molecules which change their arrangement during the phase transition. Lattice energy calculations confirm that these two alternative arrangements correspond to minima of almost the same packing energy.
    Type of Medium: Electronic Resource
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