Refinement on F2 | H atoms treated by a mixture of independent and constrained refinement |
Least-squares matrix: full | w = 1/[σ2(Fo2) + (0.0617P)2 + 0.0101P] where P = (Fo2 + 2Fc2)/3 |
R[F2 > 2σ(F2)] = 0.060 | (Δ/σ)max < 0.001 |
wR(F2) = 0.130 | Δρmax = 0.17 e Å−3 |
S = 1.02 | Δρmin = −0.23 e Å−3 |
9449 reflections | Absolute structure: Flack (1983), 4144 Friedel pairs |
413 parameters | Absolute structure parameter: 0.4 (15) |
0 restraints |