Refinement on F2 | Primary atom site location: dual |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.030 | Hydrogen site location: mixed |
wR(F2) = 0.082 | H atoms treated by a mixture of independent and constrained refinement |
S = 1.05 | w = 1/[σ2(Fo2) + (0.0446P)2 + 0.2681P] where P = (Fo2 + 2Fc2)/3 |
2834 reflections | (Δ/σ)max = 0.001 |
158 parameters | Δρmax = 0.64 e Å−3 |
0 restraints | Δρmin = −0.43 e Å−3 |