Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Hydrogen site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.054 | H-atom parameters constrained |
wR(F2) = 0.146 | Method = Modified Sheldrick w = 1/[σ2(F2) + ( 0.06P)2 + 0.76P], where P = (max(Fo2,0) + 2Fc2)/3 |
S = 1.00 | (Δ/σ)max = 0.0003776 |
2773 reflections | Δρmax = 0.51 e Å−3 |
199 parameters | Δρmin = −0.33 e Å−3 |
0 restraints |