Refinement on F2 | Primary atom site location: dual |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.056 | Hydrogen site location: mixed |
wR(F2) = 0.136 | H atoms treated by a mixture of independent and constrained refinement |
S = 1.04 | w = 1/[σ2(Fo2) + (0.047P)2 + 2.2564P] where P = (Fo2 + 2Fc2)/3 |
8316 reflections | (Δ/σ)max < 0.001 |
329 parameters | Δρmax = 0.79 e Å−3 |
121 restraints | Δρmin = −0.59 e Å−3 |