Chemistry 832: Solid State Structural Methods
Lecture Exercise #3, Acta Cryst. Section C
[Show me a copy of the paper for approval before you write the report.]
[G., L., & R. pp 259]
(1)
Go to the library where the current issues of the unbound periodicals are kept. Find the journal Acta Cryst.
Section C. Find a paper in one of the issues that interests you and which contains at least one crystal structure.
Make a photocopy of that paper.
(2)
For a crystal structure from this paper, prepare a table (i.e. on one page) similar to that on page 259 in our
text summarizing the data collection and measurement. On following pages, describe what each of these items mean
(i.e. a short paragraph for each). Be sure to give, at least, the following information:
Crystal color
Crystal dimensions
Solvent(s) crystal grown from
Chemical formula of compound
Formula weight of compound
Crystal system
Space Group
Unit cell parameters (errors)
Unit cell volume (errors)
Number of asymmetric units in the unit cell
Number of reflections measured to get unit cell parameters
Two theta range of reflections measured to get unit cell parameters
Calculated (and observed) densities
Radiation type used and wavelength
Linear absorption coefficient
Temperature of data collection
Instrument make and model used to measure the data
Method used to measure intensities
How were the X-rays made monochromatic
Ranges of h, k, and l studied
Ranges of theta of reflections studied
Number of reflections measured
Number of independent data
Number of data considered “observed”
Criteria for calling data “observed”
Number of Parameters Calculated
Internal agreement of two measurement of the same Bragg reflection or its equivalent
Information on checks for intensity decay during data collection
Type of absorption correction applied and range of transmission factors
(3)
Staple this report to your source paper from Acta Cryst. Section C and hand both in.
(4)
How does the coverage of the crystal structure in Acta Cryst. differ from that in a non-crystallographic
journal such as Inorg. Chem. or Organometallics? From which is it easier to extract crystallographic information.
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