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)] = 0.045 | H-atom parameters constrained |
wR(F2) = 0.122 | w = 1/[σ2(Fo2) + (0.051P)2 + 0.2481P] where P = (Fo2 + 2Fc2)/3 |
S = 1.01 | (Δ/σ)max = 0.001 |
8932 reflections | Δρmax = 0.38 e Å−3 |
675 parameters | Δρmin = −0.45 e Å−3 |
Primary atom site location: structure-invariant direct methods | Extinction correction: none |