General Information
Equipment
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.
Experiments
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.
Results
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.
Samples
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.
Prices
(Effective 07/01/2023)
University
of Rochester researchers:
Completed structural determinations:
Small
molecule organometallic or inorganic: $275.
Small
molecule organic: $125.
Trivial,
redo, unwanted, “useless”: $125.
Other services and charges:
Macromolecule
screening blocks: $125 per 2.5-hour block.
Powder
and serial data collections: $125 per 2.5-hour block,
capped at $275.
Instrument
use that does not lead to a data collection:
$125 after 2.5 hours.*
Intentional data collections for which a report is not
warranted: $125
*This
is a one-time flat rate charge for small molecule screenings in
excess of 2.5 hours of instrument time. If, after the screening
window, it is decided
that a full data collection is desired, the $125 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 organometallic or
inorganic: $275 + $50 staff
support fee ($325
total).
Small molecule organic: $125 + $50 staff support fee ($175 total).
