Crystal Structure of Bis(acetone-κO)-1,4,8,11-tetraazacyclotetradecane Copper(II) Ditetraphenylborate Acetone Disolvate

The solid-state structure of bis(acetone-κO)-1,4,8,11-tetraazacyclotetradecane copper(II) ditetraphenylborate acetone disolvate was determine by single-crystal X-ray diffraction analysis. Single crystals of the title compound were obtained from acetone and diethyl ether. The compound crystallizes in...

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Bibliographic Details
Published in:X-ray Structure Analysis Online 2015, Vol.31, pp.53-54
Main Authors: MATSUI, Chihiro, OKAWARA, Toru, NAGAMURA, Toshihiko, TAKEHARA, Kenji
Format: Article
Language:English
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Summary:The solid-state structure of bis(acetone-κO)-1,4,8,11-tetraazacyclotetradecane copper(II) ditetraphenylborate acetone disolvate was determine by single-crystal X-ray diffraction analysis. Single crystals of the title compound were obtained from acetone and diethyl ether. The compound crystallizes in a triclinic system, space group P1. The unit-cell parameters were determined to be a = 12.2123(15), b = 12.5684(16), c = 12.9841(16)Å, α = 100.526(2)°, β = 107.4237(19)°, γ = 116.1558(19)°, Z = 1, V = 1587.4(3)Å3. The crystal includes two acetone molecules. One of which shows a conformational disorder. The crystal structure was solved by dual space methods and refined by full-matrix least-squares on F2 to final values of R1 = 0.0392 and wR2 = 0.0999 for I > 2σ(I) and all data, respectively.
ISSN:1883-3578
1883-3578
DOI:10.2116/xraystruct.31.53