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Wisconsin sample mcg015 - Reciprocal Net Log in
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Empirical formula: C33H20MgN8O
a: 13.190 Å
b: 24.310 Å
c: 8.018 Å
α (alpha): 90.00 °
β (beta): 100.10 °
γ (gamma): 90.00 °
Volume: 2531.22 Å3
Space group: P21/c
Calculated density: 1.493 g/cm3
Z: 4
Temperature: -173.0 °C
Formula weight: 568.880 g/mole
R(F): 0.0430
R(F2): 0.0655
Rw(F2): 0.1195
Crystallographer: Ilia A. Guzei
Citation of a publication: I. A. Guzei, R. W. McGaff and H. M. Kieler. Acta Cryst. (2005). C61, m472-m475.
Layman's explanation: As a class of compounds, the metallophthalocyanines exhibit a wide array of physical and chemical properties that can be profoundly affected by subtle changes in their structures. Shown here is methanol(h4-phthalocyaninato)magnesium(II), a recent addition to the list of compounds that fit this classification. This compound adopts a crystal structure that results from two different types of interactions between molecules. These are known as p-p dimerization and hydrogen bonding. One interesting subtlety in the structure of the molecule shown can be described as a “hat visor” shape, a description put forth for the first time in a very recent paper describing this structure. This molecule is only one of several related compounds under investigation through a collaboration involving Dr. Ilia Guzei, Director of the Molecular Structure Laboratory at the University of Wisconsin-Madison and Robert McGaff, an Associate Professor of Chemistry at the University of Wisconsin-La Crosse.
Lab name: University of Wisconsin Molecular Structure Laboratory
Sample provider: Robert W. McGaff
Status: Complete, visible to public
Repository Files:
mcg015.cif mcg015.crt mcg015.doc mcg015.hkl mcg015.ort
mcg015.res mcg015.sdt

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