Importance of single crystal structure determination
Single crystal
structure determination is probably the most important technique
to characterize new compounds. No other analytical technique currently available
can provide such complete and unambiguous information about internal
structure, e.a. types of atoms and their space arrangement. Modern
diffraction equipment and software allow to measure the diffraction of
crystals with very high resolution, routinely better than one angstrom and
to determine crystal structures very accurately. Single crystal
structure determination yields the internal symmetry of crystals,
coordinates of atoms, population of atoms (occupancies), anisotropic thermal
parameters. The results obtained by single crystal structure
determination are vital for study of compounds by various other other techniques,
including molecular modeling, crystal packing, polymorphism, absolute
structure configuration, intra-/intermolecular contacts, hydrogen bonding,
crystal phase transition as well as for the purposes of intellectual property
protection.
Why use XRD.US single crystal structure determination
services?
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We use the most advanced single crystal
diffractometers equipped with CCD area detectors, image plate systems,
nitrogen low temperature devices, high pressure diamond anvils. Our
capabilities meet and exceed the most demanding single crystal structure
determination requirements.
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Most importantly, we WILL NOT turn you down because
of poor
quality of your crystals, twinning, superstructure
etc problems. At XRD.US our professional crystallographers will
address your most challenging crystallographic
problems.
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XRD.US
single crystal
structure determination services are
fast and
cost effective.
Single crystal structure determination
services of XRD.US include
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Evaluation and mounting of crystals
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Determination of unit cell, space group
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Data collection
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Choice of data collection temperature from room
temperature down to 93 K and normal or elevated pressure
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Absorption corrections
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Structure
solution
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Structure refinement
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Determination
of the absolute configuration when necessary
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Preparation of
illustrations for publications
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Analysis of
the structural results, including hydrogen bonding, unusual geometrical
features, intermolecular interactions, planes, ring puckering, etc.
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Preparation of a comprehensive report with full data tables
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Preparation of
results for publication or writing of a complete paper when the structural
results are to be published separately
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Searches of the Cambridge Structural Database and the Inorganic Crystal
Structure Database
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Consulting on matters relating to crystallography and structural chemistry
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