{"id":107,"date":"2019-11-13T20:50:34","date_gmt":"2019-11-13T20:50:34","guid":{"rendered":"https:\/\/sites.wp.odu.edu\/sdpd\/?page_id=107"},"modified":"2025-10-30T22:58:12","modified_gmt":"2025-10-30T22:58:12","slug":"data","status":"publish","type":"page","link":"https:\/\/sites.wp.odu.edu\/sdpd\/data\/","title":{"rendered":"Materials"},"content":{"rendered":"\n

Some possible materials and diffraction data to practice with are as follows. If you are interested in a particular type of material (or a particular sample, or dataset) let us know. <\/p>\n\n\n\n

Organic<\/strong> solids<\/strong>: 2-ethoxybenzamide [1-2]; L-alpha-methyldopa (anhydrous and a hydrate) [3]; maprotiline hydrochloride [4]. Phentolamine [5]. <\/p>\n\n\n\n

Inorganic<\/strong> and metal-organic solids<\/strong>: [Co(NH3<\/sub>)5<\/sub>Cl]Cl2<\/sub> [5]; CoCl2<\/sub>.H2<\/sub>O and MnCl2<\/sub>.H2<\/sub>O [6]; Cu(CN)-2-aminopyrazine [7] (a MOF). <\/p>\n\n\n\n

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  1. Pagola, S. and Stephens, P. W. “Herringbone array of hydrogen\u2010bonded ribbons in 2\u2010ethoxybenzamide from high\u2010resolution X\u2010ray powder diffraction”<\/strong>, Acta Cryst. C65<\/em> (2009), o583-o586. https:\/\/doi.org\/10.1107\/S0108270109040803<\/a> <\/li>\n\n\n\n
  2. https:\/\/www.youtube.com\/playlist?list=PLzFrCI1KQr2OAoJk8o8UudwbXru85sOng<\/a> <\/li>\n\n\n\n
  3. http:\/\/www.chemspider.com\/Chemical-Structure.35562.html?rid=a0845c51-4fec-44e8-8f0b-767d69c6620d<\/a> <\/li>\n\n\n\n
  4. http:\/\/www.chemspider.com\/Chemical-Structure.64557.html?rid=18d20a0a-c810-4e00-adb1-9bd89475ca98<\/a> <\/li>\n\n\n\n
  5. Phentolamine | C17H19N3O | CID 5775 – PubChem<\/a><\/li>\n\n\n\n
  6. Mohamud, S. and Pagola, S. “Revisiting the crystal structure of [Co(NH<\/strong>3<\/strong><\/sub>)<\/strong>5<\/strong><\/sub>Cl]Cl<\/strong>2<\/strong><\/sub> using synchrotron powder diffraction: to what extent single-crystal diffraction from 1960s got it right?”,<\/strong> Powder Diffraction <\/em>32 (2017) 179-186.  https:\/\/doi.org\/10.1017\/S0885715617000677<\/a> <\/li>\n\n\n\n
  7. Pagola, S.; Trowell, K.T.; Havas, K.C.; Reed, Z.D.; Chan, D.G.; Van Dongen, M.J.; DeFotis, G.C. “Crystal Structures of Manganese and Cobalt Dichloride Monohydrate and Deuteration Effects on Magnetic Behavior<\/strong>“, Inorganic Chemistry<\/em> 52 (2013) 13341-13350. https:\/\/doi.org\/10.1021\/ic4013075<\/a> <\/li>\n\n\n\n
  8. Pagola, S., Pike, R. D., de Kraff, K. and Tronic, T. A. “Poly[u-2-aminopyrazine-k2N1:N4-u-cyanido-copper(I)]: a three-dimensional network from laboratory powder diffraction data”<\/strong>, Acta Cryst. <\/em>(2008). C64, m134\u2013m136. doi:10.1107\/S010827010800231X<\/a><\/li>\n<\/ol>\n","protected":false},"excerpt":{"rendered":"

    Some possible materials and diffraction data to practice with are as follows. If you are interested in a particular type of material (or a particular sample, or dataset) let us know. Organic solids: 2-ethoxybenzamide [1-2]; L-alpha-methyldopa (anhydrous and a hydrate) [3]; maprotiline hydrochloride [4]. Phentolamine [5]. Inorganic and metal-organic solids: [Co(NH3)5Cl]Cl2 [5]; CoCl2.H2O and MnCl2.H2O … <\/p>\n

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