Refinement on F2 | 1 restraint |
Least-squares matrix: full | H-atom parameters constrained |
R[F2 > 2σ(F2)] = 0.034 | w = 1/[σ2(Fo2) + (0.0538P)2 + 0.6998P] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.100 | (Δ/σ)max = 0.001 |
S = 1.12 | Δρmax = 0.68 e Å−3 |
2818 reflections | Δρmin = −0.38 e Å−3 |
127 parameters |