Information for Journal Publication

ACKNOWLEDGEMENT:

Please acknowledge the use of this Facility in your publications, for example:

"We thank the X-ray Structural Characterization Laboratory at the Chemistry Department supported by University of Massachusetts and National Science Foundation (grant CHE-9974648), and Dr. X. Xxxxxxxxxx for data collection (, structure solution and refinement [if applicable]) for compounds A, B and C."


Materials to Include in Communication.


  1. One Figure (see below)
  2. Crystallographic data (in Footnote)
  3. Important Bond Lengths and Bond Angles (if any) or other Features (in Discussion)
  4. Materials to deposit as Supporting Information (same as for regular Article; see below)

Materials to Include in the Paper.


THE NECESSARY TABLES ARE: (always with esd)
  1. Crystallographic data
  2. Selected Bond Lengths and Bond Angles involving non-Hydrogens
  3. Plane calculations & Torsion angles (only if important; can go in text also)
  4. H-bonds & other interactions (both intra- & inter- molecular; only if important; can go in text also)
FIGURE
  1. Single molecule, clarifying the central atom (Most Common) -OR-
  2. Stereoview (depending on the need and program availability)
  3. Packing diagram (only if important).
  4. Any other special feature such as ring conformation...

Materials to deposit as Supporting Information.


The FINAL CIF file --AND/OR--



The following TABLES: (always with esd)
  1. Crystallographic data
  2. Coordinates with Ueq for non-Hydrogens
  3. Full List of Bond Lengths and Bond Angles involving non-Hydrogens
  4. Anisotropic thermal parameters for non-Hydrogens
  5. Hydrogen coordinates
  6. Fo-Fc table (may be unnecessary)
  7. Plane calculations & Torsion angles (if important)
  8. H-bonds & other interactions (both intra- & inter- molecular; if important)
FIGURE
  1. Single molecule (with more details; also additional molecules, if any) -AND/OR-
  2. Stereoview
  3. Packing diagram.


Created by A. Chandrasekaran