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note
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2 = 0.0659. Further details on the crystal structure investigation may be obtained from the Fachinformationszentrum Karlsruhe, D-76344 Eggenstein-Leopoldshafen, Germany (fax: (+49) 7247-808-666; e-mail: crysdata@fiz-karlsruhe.de), on quoting the depository numbers CSD-410439 (3), CSD-410440 (2b), and CSD-410441 (2c).
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33747569197
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-: a) DFT: Y-N 232.4 and 234.5, Y-P 306.7 and 321.9, N-Y-N 102.5-113.0; b) MP2 (extrapolated): Y-N 229.6 and 230.5, Y-P 287.6 and 297.4, N-Y-N 91.8-122.9.
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33747553137
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note
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In contrast to the MP2 method, the DFT method does not consider dispersion interactions explicitly.
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27
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33747550678
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note
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-; Y-N: 1.49 and 1.50, Y-P: 0.84 and 0.98, N-P: 1.22 and 1.23.
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