Chemistry

Chemistry Databases

You can access your chemistry databases via the list below OR by visiting the UNF library homepage. To the right of the OneSearch search box, select "database list." Next, click on the "All Subject" dropdown box located at the top of the page. Select the Chemistry subject list. The list represented below is only a sample of the chemistry databases that UNF subscribes to for students, faculty, and staff. Click the name of the database to begin your search.

Note: Some chemistry databases require additional login/password information before you can login to begin your research. Next, are special instructions for the databases Cambridge Structural Database and Inorganic Crystal Structure Database-ICSD.

Special Instructions for Database Access

About Cambridge Crystallographic Data Centre

The Cambridge Structural Database is produced by the Cambridge Crystallographic Data Centre, a registered charity in the United Kingdom with the mission of collecting and making available high-quality crystal structure and structural chemistry information.  CSD is the largest repository for small-molecule organic and metal-organic crystal structures, with more 800,000 entries. Along with data about the crystal structure, each entry includes chemical/physical property data and associated journal article reference.

CSD has long been a data repository in which chemists, engineers, and materials scientists have deposited their crystal structure data, and many journals require deposition in the CSD as part of the article submission process. The database currently contains X-ray and neutron diffraction analyses for carbon-containing compounds composed of up to 1000 atoms. Types of substances represented include:

  • Organics
  • Organometallics
  • Metal complexes
  • Compounds of main group elements
  • Peptides of up to 24 residues
  • Mono-, di-, and tri-nucleotides

The database is searchable by structure, text, or the journal article that the crystal structure accompanies, and it permits substructure searching. Entries for each compound include:

  • Complete literature citations (title, author, journal, etc.)
  • Compound information (name, formula, and structural representation in two or three dimensions)
  • Textual information (details of disorder, non-standard experimental conditions, absolute configuration, etc.)
  • Crystallographic information (atomic coordinates, cell parameters, space group, unit cell information, etc.)

UNF users can access the Cambridge Structural Database two ways:

  1. Using the web based version of the database, WebCSD On Campus Access Only
  2. Downloading and running the powerful CSD software on their own computers. Please contact the Library Public Services Faculty for more information.

ICSD User Names/Passwords

The Inorganic Crystal Structure Database (ICSD) is a database of the crystal structures of inorganic substances, including pure elements, metals, minerals, and other purely inorganic substances.  No organic or organometallic substances appear: data for these types of molecules can be found in the Cambridge Structural Database.  It contains about 185,000 structures with 6,000 added annually. Each record includes crystallographic data as well as chemical/physical property data and bibliographic information for the journal article referencing the structure.

Only 4 simultaneous logins allowed. Please contact the Library Public Services Faculty for more information.

ICSD Support

Along with a help manual, Fiz-Karlsruhe provides context-sensitive support for ICSD, with "Get Help" icons on the search and display screens. As you mouse over the search fields, you will also see hints on how to format your search.