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Molecular Structure Laboratory

Policies

Updated March 2, 2009.

Sample Submission All users are required to fill out the first page of the submission form and submit one form per sample. A supply of the submission forms can be found on the sample submission table in the X-ray lab (2121 Chemistry). We can handle dry crystals as well as crystals in the mother liquor. If you have specific questions or concerns regarding your sample you may contact Director of X-ray Laboratory by e-mail or in person.
Charges and Fees As of January 1, 2000, the following charges have been instituted:
  • Unit cell determination - $ 20.00.
  • Partial data set with a structural solution - $ 100.00.
  • A complete dataset acquisition only (without structural solution and refinement) - $ 100.00.
  • A complete structural characterization (also see Co-authorship Policy) - $ 220.00

For all datasets acquired at low temperature the cost of liquid nitrogen is billed directly to the group. For the academic out-of-house customers there is an extra charge of $15.

Industrial users - contact Director of X-ray Laboratory.

Co-authorship Policy

Co-authorship guidelines that will be followed at the Molecular Structure Laboratory are in accord with ACA regulations and with co-authorship policies accepted at the majority of crystallographic laboratories.

If the structural information is a major part of the intellectual content of the paper, and if this information has been derived primarily by X-ray diffraction, then the crystallography should be included in the paper and the crystallographer should be considered for co-authorship. Most papers that include metric parameters (i.e. distances and angles), ORTEP diagrams, and structural discussions would fall under this classification. I am encouraging collaborators to use my expertise in structural discussion (packing, hydrogen bonds, inter/intramolecular contacts, etc.), structure comparison, and database searching for relevant compounds. I will also assist in the preparation of, and review manuscripts that include my structural data. I would like the opportunity to review all papers that include structures solved by me before they are sent off for publication.

If crystallography is used only to confirm a structure that is well established by other means (NMR, mass spec, etc.), and if no structural details are given in the paper, only an acknowledgment is more appropriate. This would occur, for example, when the relative stereochemistry of an intermediate in a complex organic synthesis has been determined, or when the crystallographic experiment was routine and structural determination was straightforward. In such cases, the crystallographer would be willing to publish the structural results of the investigation in a crystallographic journal upon mutual agreement. An acknowledgement may also suffice in the cases when the X-ray experiment was standard and the structure solution straightforward.

The guidelines above are intended to help authors prepare manuscripts, facilitate their publication, and to protect the authors of manuscripts from errors in professional presentation of crystallographic results. back to top

Frequently Asked Questions

Q1: How long does it take to analyze my sample? A1: You will hear from us within a couple of days.

Q2. Where are my results? A2: All relevant files (report, cif, res, hkl) will be uploaded into our internal database RecipNet. Your data will be password protected until published.