General Information




*      Experiments are run on either a Siemens SMART platform or a Rigaku XtaLAB Synergy-S diffraction system.

*      Temperature controllers provide an inert atmosphere (N2) for the samples.




*      Samples are examined with a polarizing microscope; air-sensitive materials are prepared under an inert atmosphere.

*      Typical data collections, which take anywhere from 1 to 24 hours, are run at 100 K, with an optional range from 90 to 400 K.




*      The submitter receives via email a CIF (crystallographic information file) and full report file (PDF and DOC formats). CIFs are used for journal and database submissions and for structure manipulation by third party software like program Mercury. Report files contain pertinent information, like the conditions of the experiment, structure solution and refinement details, thermal ellipsoid plots, and tables of bond lengths and angles, etc., in easily readable and printable formats.

*      Stereochemical information can be determined (see individual instrument details).

*      Twinned crystals, including non-merohedral ones, are routinely examined and successfully resolved at no additional cost.




*      On average only a few crystals are required to find an acceptable specimen; more is better, bigger is better.

*      Crystals are accepted dry or in mother liquor.

*      Samples are not returned unless the submitter requests it.



(Effective 01/01/2018)


*      University of Rochester researchers:


Completed structural determinations:

Small molecule organometallic or inorganic:  $300.

Small molecule organic:  $100.

Trivial, redo, unwanted, “useless”:  $100.


Other services and charges:

Reserved macromolecule screening blocks:  $100 per two-hour block.

Powder data collections:  $100 per two-hour block, capped at $300.

Instrument use that does not lead to a data collection:  $100 after two hours.*


*This is a one-time flat rate charge for small molecule screenings in

 excess of two hours of instrument time.  If, after the two-hour screening

 window, it is decided that a full data collection is desired, the $100 charge

 is waived and the experiment evolves into a structural determination; see

 “Competed structural determinations” above.


*      External research groups from non-profit organizations:


Completed structural determinations:

Small molecule only:  $300 + $50 staff support fee ($350 total).



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