Refinement on F2
|
Secondary atom site location: difference Fourier map |
Least-squares matrix: full |
Hydrogen site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.016 |
All H-atom parameters refined |
wR(F2) = 0.030 |
w = 1/[σ2(Fo2) + (0.0141P)2] where P = (Fo2 + 2Fc2)/3 |
S = 0.87 |
(Δ/σ)max < 0.001 |
1106 reflections |
Δρmax = 0.44 e Å−3
|
57 parameters |
Δρmin = −0.23 e Å−3
|
18 restraints |
Absolute structure: Refined as an inversion twin. |
0 constraints |
Absolute structure parameter: 0.36 (4) |
Primary atom site location: dual |
|