Refinement on F2
|
Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full |
Secondary atom site location: difference Fourier map |
R[F > 3σ(F)] = 0.042 |
Hydrogen site location: difference Fourier map |
wR(F) = 0.109 |
H atoms treated by a mixture of independent and constrained refinement |
S = 2.06 |
Weighting scheme based on measured s.u.'s w = 1/(σ2(I) + 0.0004I2) |
4943 reflections |
(Δ/σ)max = 0.009 |
222 parameters |
Δρmax = 0.40 e Å−3
|
0 restraints |
Δρmin = −0.32 e Å−3
|
34 constraints |
|