Peter Murray-Rust is working to harvest crystallography data from research papers published on the web and make the aggregated data available online.
(Via Open Data Commons.)
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You might be interested in these dicussions on my blog regarding the CrystalEye Data and the openness of some of the publishers to provide access to the data.
http://www.chemspider.com/blog/intention-to-scrape-crystaleye-content-and-staying-in-relationship-with-publishers.html
http://www.chemspider.com/blog/why-we-cant-publish-scraped-crystaleye-data-yetand-science-commons-declare-a-protocol-for-implementing-open-access-data.html
http://www.chemspider.com/blog/struggling-to-scrape-crystaleye.html