Refinement on F2 | Primary atom site location: dual |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.050 | Hydrogen site location: mixed |
wR(F2) = 0.128 | H atoms treated by a mixture of independent and constrained refinement |
S = 1.02 | w = 1/[σ2(Fo2) + (0.0602P)2 + 1.7687P] where P = (Fo2 + 2Fc2)/3 |
8537 reflections | (Δ/σ)max < 0.001 |
280 parameters | Δρmax = 0.58 e Å−3 |
0 restraints | Δρmin = −0.42 e Å−3 |