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)] = 0.041 |
H atoms treated by a mixture of independent and constrained refinement |
wR(F2) = 0.119 |
w = 1/[σ2(Fo2) + (0.0671P)2 + 0.1177P] where P = (Fo2 + 2Fc2)/3 |
S = 1.11 |
(Δ/σ)max = 0.001 |
3028 reflections |
Δρmax = 0.50 e Å−3
|
165 parameters |
Δρmin = −0.22 e Å−3
|
Primary atom site location: structure-invariant direct methods |
Extinction correction: none |