| 초록 |
Single crystal structure of giant silicalite, 1.0 mm x 0.2 mm containing tetrapropylammonium hydroxide was determined readily with charge flipping method. The structure of occluded structure directing agent in the pore was obtained readily at the initial stage of refinement. The structure of silicalite was orthorhombic, P2(1)2(1)2(1) parameters of a= 19.9451 Å, b= 19.9611 Å and c= 13.3855 Å in which the chemical composition was C48H112N4`(SiO2)96 with R1/wR2= 6.71/17.08 over 7513 reflections for I>3σ(I). The largest difference peak was 0.64 and the deepest hole was -0.69 e Å3. The goodness-of-fitness index was 1.91. The final maximum (change/s.u.) was 0.0482. |
