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)] = 0.016 |
H-atom parameters constrained |
wR(F2) = 0.042 |
w = 1/[σ2(Fo2) + (0.0205P)2 + 0.6778P] where P = (Fo2 + 2Fc2)/3 |
S = 1.05 |
(Δ/σ)max = 0.001 |
11176 reflections |
Δρmax = 0.78 e Å−3
|
590 parameters |
Δρmin = −0.50 e Å−3
|
1 restraint |
Absolute structure: Flack (1983), 5368 Friedel pairs |
Primary atom site location: structure-invariant direct methods |
Flack parameter: 0.016 (10) |