解像度: 2.1→20 Å / Isotropic thermal model: anisotropic / 交差検証法: THROUGHOUT / σ(F): 0 / σ(I): 0 / 立体化学のターゲット値: Engh & Huber 詳細: THIS IS A TWINNED STRUCTURE. THE TWINNING OPERATOR IS (H,K,L) -> (H,-H-K,-L) AND THE TWINNING FRACTION IS 0.35. THE R-FACTOR IS 0.210 AND THE R-FREE IS 0.278 WHEN THIS TWINNING OPERATOR IS USED.
Rfactor
反射数
%反射
Selection details
Rfree
0.278
231
-
RANDOM
Rwork
0.21
-
-
-
all
0.215
5216
-
-
obs
0.215
5204
99.8 %
-
原子変位パラメータ
Biso mean: 52.3 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-9.748 Å2
-5.371 Å2
0 Å2
2-
-
-9.748 Å2
0 Å2
3-
-
-
19.496 Å2
Refine analyze
Luzzati coordinate error obs: 0.37 Å / Luzzati d res low obs: 5 Å / Luzzati sigma a obs: 0.36 Å