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)] = 0.024 |
H-atom parameters constrained |
wR(F2) = 0.057 |
w = 1/[σ2(Fo2) + (0.028P)2 + 0.3633P] where P = (Fo2 + 2Fc2)/3 |
S = 1.09 |
(Δ/σ)max < 0.001 |
4602 reflections |
Δρmax = 0.70 e Å−3
|
353 parameters |
Δρmin = −0.30 e Å−3
|
1 restraint |
Absolute structure: Flack (1983), 1770 Friedel pairs |
Primary atom site location: structure-invariant direct methods |
Flack parameter: 0.006 (18) |