Refinement on F2 | Primary atom site location: difference Fourier map |
Least-squares matrix: full | Secondary atom site location: inferred from neighbouring sites |
R[F2 > 2σ(F2)] = 0.044 | Hydrogen site location: difference Fourier map |
wR(F2) = 0.117 | H atoms treated by a mixture of independent and constrained refinement |
S = 1.08 | W = 1/[Σ2(Fo2) + (0.0539P)2 + 0.3155P] where P = (Fo2 + 2Fc2)/3 |
3374 reflections | (Δ/σ)max < 0.001 |
170 parameters | Δρmax = 0.31 e Å−3 |
0 restraints | Δρmin = −0.24 e Å−3 |