Refinement on F2 | Hydrogen site location: inferred from neighbouring sites |
Least-squares matrix: full | H-atom parameters constrained |
R[F2 > 2σ(F2)] = 0.039 | w = 1/[σ2(Fo2) + (0.0319P)2 + 0.0416P] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.076 | (Δ/σ)max < 0.001 |
S = 1.03 | Δρmax = 0.14 e Å−3 |
6013 reflections | Δρmin = −0.19 e Å−3 |
473 parameters | Absolute structure: Flack x determined using 1952 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons et al., 2013) |
3 restraints | Absolute structure parameter: 0.06 (3) |