Refinement on F2
|
Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full |
Secondary atom site location: difference Fourier map |
R[F > 3σ(F)] = 0.044 |
Hydrogen site location: difference Fourier map |
wR(F) = 0.104 |
H atoms treated by a mixture of independent and constrained refinement |
S = 1.95 |
Weighting scheme based on measured s.u.'s w = 1/(σ2(I) + 0.0004I2) |
6717 reflections |
(Δ/σ)max = 0.013 |
301 parameters |
Δρmax = 0.31 e Å−3
|
0 restraints |
Δρmin = −0.35 e Å−3
|
48 constraints |
|