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)] = 0.042 |
H-atom parameters constrained |
wR(F2) = 0.100 |
w = 1/[σ2(Fo2) + (0.0479P)2 + 0.2051P] where P = (Fo2 + 2Fc2)/3 |
S = 1.12 |
(Δ/σ)max = 0.001 |
6767 reflections |
Δρmax = 0.33 e Å−3
|
381 parameters |
Δρmin = −0.22 e Å−3
|
2 restraints |
Absolute structure: Flack (1983), 3233 Friedel pairs |
Primary atom site location: structure-invariant direct methods |
Flack parameter: −0.03 (5) |