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)] = 0.037 |
H atoms treated by a mixture of independent and constrained refinement |
wR(F2) = 0.089 |
[exp(3(sinθ/λ)2)]/
[σ2(Fo2) + (0.0389P)2]
where P = 0.33333Fo2 + 0.66667Fc2
|
S = 1.06 |
(Δ/σ)max = 0.002 |
2311 reflections |
Δρmax = 0.21 e Å−3
|
157 parameters |
Δρmin = −0.16 e Å−3
|
1 restraint |
Extinction correction: none |
Primary atom site location: structure-invariant direct methods |
|