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Non-order-disorder allotwinning of the rhenium pincer complex cis-Re[(PNPCH2-iPr)(CO)2Cl].

ABSTRACT: Crystals of cis-Re[(PNPCH2-iPr)(CO)2Cl] (1) are made up of two geometrically non-equivalent polytypes with respective symmetries of P21/c and I2/a. The structures were determined in a concurrent refinement, taking into account overlap of diffraction spots. The polytypes are composed of layers with px121/c1 symmetry and are of the non-order-disorder (OD) type (the layer interfaces are non-equivalent). Whereas the molecules of (1) differ in both polytypes, the Re atoms are located at nearly identical positions.

SUBMITTER: Glatz M

PROVIDER: S-EPMC5628399 | biostudies-other | 2017 Oct

REPOSITORIES: biostudies-other

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Non-order-disorder allotwinning of the rhenium pincer complex cis-Re[(PNPCH2-iPr)(CO)2Cl].

Glatz Mathias M Stöger Berthold B Kirchner Karl K

Acta crystallographica Section B, Structural science, crystal engineering and materials 20170927 Pt 5

Crystals of cis-Re[(PNPCH2-iPr)(CO)2Cl] (1) are made up of two geometrically non-equivalent polytypes with respective symmetries of P21/c and I2/a. The structures were determined in a concurrent refinement, taking into account overlap of diffraction spots. The polytypes are composed of layers with px121/c1 symmetry and are of the non-order-disorder (OD) type (the layer interfaces are non-equivalent). Whereas the molecules of (1) d ...[more]

PMID: 28981000

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