| Refinement on F2 | H atoms treated by a mixture of independent and constrained refinement |
| Least-squares matrix: full | w = 1/[σ2(Fo2) + (0.0593P)2 + 0.1911P] where P = (Fo2 + 2Fc2)/3 |
| R[F2 > 2σ(F2)] = 0.036 | (Δ/σ)max < 0.001 |
| wR(F2) = 0.100 | Δρmax = 0.24 e Å−3 |
| S = 1.02 | Δρmin = −0.14 e Å−3 |
| 3343 reflections | Extinction correction: SHELXL, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
| 256 parameters | Extinction coefficient: 0.0111 (16) |
| 25 restraints | Absolute structure: Flack x determined using 1089 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons et al., 2013) |
| Primary atom site location: difference Fourier map | Absolute structure parameter: 0.2 (3) |
| Hydrogen site location: mixed |