解像度: 1.16→17.2 Å / σ(F): 0 / 立体化学のターゲット値: SHELX97 default 詳細: The author asigned the Rfree reflections by the following SHELXL97 input command line L.S. 5 -20 which indicates 5 cycles of least-squares calculation and ignore every 20th reflections (5%) ...詳細: The author asigned the Rfree reflections by the following SHELXL97 input command line L.S. 5 -20 which indicates 5 cycles of least-squares calculation and ignore every 20th reflections (5%) in the refinement for the Rfree calculation