Crystal engineering using the unconventional hydrogen bond. Synthesis, structure, and theoretical investigation of cyclotrigallazane

JP Campbell, JW Hwang, VG Young…

Index: Rankin, David W. H.; Robertson, Heather E. Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999), 1983 , p. 265 - 270

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Citation Number: 81

Abstract

... and the related boron and aluminum compounds by 0.9 to 2.6 kcal/mol at correlated levels of electronic structure theory. ... weighting scheme, w = [s 2 (F o 2 ) + (0.0412P) 2 + (0.5560P)] - 1 , where P = (F o 2 + 2F c 2 )/3. ... largest diff peak and hole, 1.288 and −0.933 e - /Å 3. ...