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See Tables S1 and S2 in the Supporting Information for crystal data and structure refinement details. CCDC 672441 and 672442 contain the supplementary crystallographic data for this paper. These data can be obtained free of charge from The Cambridge Crystallographic Data Centre via www.ccdc.cam.ac.uk/data- request/cif..
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See Tables S1 and S2 in the Supporting Information for crystal data and structure refinement details. CCDC 672441 and 672442 contain the supplementary crystallographic data for this paper. These data can be obtained free of charge from The Cambridge Crystallographic Data Centre via www.ccdc.cam.ac.uk/data- request/cif..
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DFT calculations were performed using Jaguar, version 6.5, Schr dinger, LLC, New York, NY, 2005, with a spin restricted formalism. Complex geometries were taken from the crystal structures of 1 and 2, and were then optimized using the LACVP functional. Effective core potentials were employed for W (LanL2DZ) while C, N, and O atoms were described with the 6-31G basis set
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DFT calculations were performed using Jaguar, version 6.5, Schr dinger, LLC, New York, NY, 2005, with a spin restricted formalism. Complex geometries were taken from the crystal structures of 1 and 2, and were then optimized using the LACVP functional. Effective core potentials were employed for W (LanL2DZ) while C, N, and O atoms were described with the 6-31G basis set.
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