Refinement on F2
|
Secondary atom site location: difference Fourier map |
Least-squares matrix: full |
Hydrogen site location: inferred from neighbouring sites |
R[F > 3σ(F)] = 0.062 |
H-atom parameters constrained |
wR(F) = 0.118 |
Weighting scheme based on measured s.u.'s w = 1/(σ2(I) + 0.0004I2) |
S = 1.64 |
(Δ/σ)max = 0.016 |
5013 reflections |
Δρmax = 0.76 e Å−3
|
444 parameters |
Δρmin = −0.63 e Å−3
|
0 restraints |
Extinction correction: B-C type 1 Lorentzian isotropic (Becker & Coppens, 1974) |
56 constraints |
Extinction coefficient: 2400 (800) |
Primary atom site location: structure-invariant direct methods |
|