Refinement on F2
|
Hydrogen site location: inferred from neighbouring sites |
Least-squares matrix: full |
H-atom parameters constrained |
R[F2 > 2σ(F2)] = 0.029 |
w = 1/[σ2(Fo2) + (0.0405P)2 + 0.1246P] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.073 |
(Δ/σ)max < 0.001 |
S = 1.05 |
Δρmax = 0.24 e Å−3
|
1948 reflections |
Δρmin = −0.16 e Å−3
|
154 parameters |
Extinction correction: none |
1 restraint |
Absolute structure: Flack (1983) |
Primary atom site location: structure-invariant direct methods |
Flack parameter: −0.01 (8) |
Secondary atom site location: difference Fourier map |
|