Refinement on F2
|
Secondary atom site location: difference Fourier map |
R[F > 3σ(F)] = 0.023 |
Hydrogen site location: difference Fourier map |
wR(F) = 0.053 |
H atoms treated by a mixture of independent and constrained refinement |
S = 1.34 |
Weighting scheme based on measured s.u.'s w = 1/(σ2(I) + 0.0004I2) |
4602 reflections |
(Δ/σ)max = 0.025 |
356 parameters |
Δρmax = 0.44 e Å−3
|
0 restraints |
Δρmin = −0.30 e Å−3
|
48 constraints |
Absolute structure: 1800 of Friedel pairs used in the refinement |
Primary atom site location: structure-invariant direct methods |
Absolute structure parameter: 0.004 (17) |