Refinement on F2 | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.033 | Hydrogen site location: mixed |
wR(F2) = 0.092 | H atoms treated by a mixture of independent and constrained refinement |
S = 1.07 | w = 1/[σ2(Fo2) + (0.0573P)2 + 0.2007P] where P = (Fo2 + 2Fc2)/3 |
3266 reflections | (Δ/σ)max = 0.001 |
179 parameters | Δρmax = 0.54 e Å−3 |
0 restraints | Δρmin = −0.31 e Å−3 |
Primary atom site location: structure-invariant direct methods |