INSTRUMENTATION

Bruker KAPPA APEX II DUO.  
Four-circle goinometer can position crystal in any orientation.
APEX II CCD area detector.
Dual sources (Mo or Cu Ka radiation)
Oxford Cryostream variable temperature device: -173-100 °C

​Software

  • Strategy Determination: COSMO (Bruker AXS)
  • Integration/Unit Cell Refinement: SAINT (Bruker AXS)
  • Scaling/Absorption Correction: SADABS, TWINABS (Bruker AXS).
  • Spacegroup Determination: XPREP (Sheldrick), PLATON (Ton Spek).
  • Solution and Refinement: SHELXTL 2014 (George Sheldrick), Olex2 (OlexSYSTM).
  • Viewing/Plotting Software: SHELXTL—XP and Xshell (George Sheldrick), Olex2. (OlexSYSTM), Mercury (CCDC), ORTEP3 (L. J. Farrugia), PLATON (Ton Spek).
  • Twin Handling: CELL NOW (Sheldrick), TwinRotMat (Ton Spek), TWINABS (Bruker  AXS).
  • Crystallograpic Information File (CIF) Processing/Checking. Encifer (CCDC), 
  • Powder Patterns: XRD2 (Bruker AXS).
  • Powder Pattern Simulation: Mercury (CCDC).
  • Other tools: PLATON (Ton Spek).

Facility Manager

Access and Training

All users must be trained before access to instrumentation is granted. A brief 30-minute training will prepare users to acquire powder patterns. Training in single-crystal X-ray structure determination is a more significant endeavor, and requires attendance at a semester-long course (for credit or audit), or significant training by Dr. Zdilla or another trained mentor. Contact Dr. Zdilla with additional questions.

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