Refinement on F2
|
Secondary atom site location: difference Fourier map |
Least-squares matrix: full |
Hydrogen site location: inferred from neighbouring sites |
R[F2 > 2σ(F2)] = 0.050 |
H-atom parameters constrained |
wR(F2) = 0.109 |
w = 1/[σ2(Fo2) + (0.0378P)2] where P = (Fo2 + 2Fc2)/3 |
S = 0.84 |
(Δ/σ)max = 0.001 |
4186 reflections |
Δρmax = 0.39 e Å−3
|
254 parameters |
Δρmin = −0.33 e Å−3
|
1 restraint |
Absolute structure: Refined as a two-component inversion twin |
Primary atom site location: structure-invariant direct methods |
Absolute structure parameter: 0.03 (5) |