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Summary of experimental and crystallographic data.Crystal 1 Crystal 2Crystal cross-section (mm) 0.28 0.28Ion exchange T (K) 348 353Ion exchange for K + (day, mL) 10, 150 20, 300Ion exchange for NH 4+ (day, mL) 15, 225 15, 225Dehydration T (K) 473 573Crystal color pale yellow pale yellowData collection T (K) 294(1) 294(1)Space group Fd 3 m Fd 3 m X-ray sourcePohang Light Source, Beamline 4A MX WWavelength (A) 0.76999 0.76999Unit cell constant, a (A) 24.8610(29) 24.7960(29)2 θ range in data collection (deg) 60.55 60.70Total reflections harvested 89,784 126,418No. of unique reflections, m 908 756No. of reflections with F o > 4σ( F o ) 784 461No. of variables, s 39 38Data/parameter ratio, m / s 23.3 19.9Weighting parameters, a / b 0.075/81.1 0.090/143.4Initial error indices R 1 / wR 2 ( F o > 4σ( F o )) a 0.050/0.161 0.064/0.236Final error indices R 1 / wR 2 ( F o > 4σ( F o )) a 0.048/0.158 0.059/0.229 R 1 / wR 2 (all intensities) b 0.054/0.176 0.094/0.366Goodness-of-fit c 1.19 1.08

bulletin of the korean chemical society

Synthesis and Single-crystal Structures of Fully Dehydrated and Highly Proton-exchanged Zeolites Y, |H74Na1|[Si117Al75}O384]-FAU and |H73Na2|[Si117Al75O384]-FAU