構造決定の手法: 単波長異常分散 / 解像度: 3.31→125.33 Å / Cor.coef. Fo:Fc: 0.802 / Cor.coef. Fo:Fc free: 0.76 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 2.678 / ESU R Free: 0.711 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: The entry contains friedel pairs in F_plus/minus columns and I_plus/minus columns. HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : REFINED INDIVIDUALLY
Rfactor
反射数
%反射
Selection details
Rfree
0.435
3357
5 %
RANDOM
Rwork
0.4063
-
-
-
obs
0.4078
64318
99.48 %
-
溶媒の処理
イオンプローブ半径: 0.8 Å / 減衰半径: 0.8 Å / VDWプローブ半径: 1.2 Å / 溶媒モデル: MASK