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)] = 0.036 |
H atoms treated by a mixture of independent and constrained refinement |
wR(F2) = 0.099 |
w = 1/[σ2(Fo2) + (0.0661P)2] where P = (Fo2 + 2Fc2)/3 |
S = 1.01 |
(Δ/σ)max < 0.001 |
2402 reflections |
Δρmax = 0.20 e Å−3
|
220 parameters |
Δρmin = −0.27 e Å−3
|
Primary atom site location: structure-invariant direct methods |
Extinction correction: none |