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)] = 0.051 |
H atoms treated by a mixture of independent and constrained refinement |
wR(F2) = 0.151 |
w = 1/[σ2(Fo2) + (0.0788P)2] where P = (Fo2 + 2Fc2)/3 |
S = 0.96 |
(Δ/σ)max = 0.001 |
6399 reflections |
Δρmax = 0.20 e Å−3
|
556 parameters |
Δρmin = −0.23 e Å−3
|
5 restraints |
Absolute structure: Flack, H. D. (1983). Acta Cryst. A39, 876–881. |
Primary atom site location: structure-invariant direct methods |
Flack parameter: −3.4 (17) |