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)] = 0.039 |
H-atom parameters constrained |
wR(F2) = 0.108 |
w = 1/[σ2(Fo2) + (0.0851P)2] where P = (Fo2 + 2Fc2)/3 |
S = 0.98 |
(Δ/σ)max = 0.001 |
2504 reflections |
Δρmax = 0.13 e Å−3
|
307 parameters |
Δρmin = −0.14 e Å−3
|
35 restraints |
Extinction correction: none |
Primary atom site location: structure-invariant direct methods |
Absolute structure: Flack (1983), 2493 Friedel pairs |