Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.039 | Hydrogen site location: mixed |
wR(F2) = 0.115 | H atoms treated by a mixture of independent and constrained refinement |
S = 1.03 | w = 1/[σ2(Fo2) + (0.0599P)2 + 1.0458P] where P = (Fo2 + 2Fc2)/3 |
12630 reflections | (Δ/σ)max = 0.006 |
584 parameters | Δρmax = 0.64 e Å−3 |
399 restraints | Δρmin = −0.35 e Å−3 |