Azine bridged silver coordination polymers: Powder X-ray diffraction route to crystal structure determination of silver benzotriazole
- Eastman Kodak Company, Research and Development, Rochester, NY 14650-2106 (United States)
- Avant-garde Materials Simulation, 30bis rue du vieil Abreuvoir, 78100 St-Germain-en-Laye (France)
- New York State College of Ceramics at Alfred University, Institute for Ceramic Superconductivity, Binns-Merrill Hall, Alfred, NY 14802 (United States)
In continuation of our interest in solid-state structures of silver complexes of photographic importance, the structure for silver benzotriazole (AgBZT), has now been obtained. The preferred method for solving crystal structures is via single-crystal X-ray diffraction (XRD). However, for some materials, growing single crystals of appropriate size and quality is often difficult or even impossible. AgBZT is an example of such a silver complex with poor solubility. The usual routes to preparing single crystals using recrystallization from a cooperating solvent resulted in polycrystalline powder samples. We propose a crystal structure for AgBZT, solved from synchrotron X-ray powder diffraction data, using a direct-space Monte Carlo simulated annealing approach. AgBZT crystals are monoclinic (P2{sub 1} /c), with unit cell dimensions, a=14.8052(3) A, b=3.7498(4) A, c=12.3495(12) A, and {beta}=114.200(6){sup o}. The AgBZT complex is constructed from all three of the Benzotriazole (BZT) nitrogens bonding to a separate silver atom. As a consequence of this bonding mode, the structure is a highly cross-linked, coordination polymer.
- OSTI ID:
- 20784956
- Journal Information:
- Journal of Solid State Chemistry, Vol. 179, Issue 4; Other Information: DOI: 10.1016/j.jssc.2006.01.022; PII: S0022-4596(06)00003-X; Copyright (c) 2006 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved; Country of input: International Atomic Energy Agency (IAEA); ISSN 0022-4596
- Country of Publication:
- United States
- Language:
- English
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