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)] = 0.067 |
H-atom parameters constrained |
wR(F2) = 0.182 |
w = 1/[σ2(Fo2) + (0.1528P)2] where P = (Fo2 + 2Fc2)/3 |
S = 1.04 |
(Δ/σ)max = 0.001 |
3600 reflections |
Δρmax = 1.05 e Å−3
|
336 parameters |
Δρmin = −0.88 e Å−3
|
2 restraints |
Absolute structure: Flack (1983), 1156 Friedel pairs |
Primary atom site location: structure-invariant direct methods |
Flack parameter: 0.00 (2) |