Long and short brick network architecture: Role of water molecules acting as three-connecting spacers

Crystal Growth and Design

Volumn 6, Issue 2, 2006, Pages 360-362

  Banthia, Sandip ^a   Samanta, Anunay ^a  

^a UNIVERSITY OF HYDERABAD   (India)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 32644449891     PISSN: 15287483     EISSN: None     Source Type: Journal    
DOI: 10.1021/cg050517s     Document Type: Article

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31. -1, λ = 0.71073 Å, T = 293 K. Reflections collected: 20941 (Bruker SMART, CCD), 4389 unique, 232 parameters refined using 2860 reflections with I > 2σ(I) to final R indices: R1 = 0.0699, wR2 = 0.2232, GOF = 1.045. Hydrogen atom attached to amine nitrogen atom and oxygen atom of the water molecule was introduced as found on the Fourier difference maps. All other hydrogen atoms were introduced geometrically and refined using a riding model. All non-hydrogen atoms were refined anisotropically.
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