Refinement on F2
|
Secondary atom site location: difference Fourier map |
Least-squares matrix: full |
Hydrogen site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.017 |
All H-atom parameters refined |
wR(F2) = 0.043 |
w = 1/[σ2(Fo2) + (0.0318P)2] where P = (Fo2 + 2Fc2)/3 |
S = 1.15 |
(Δ/σ)max < 0.001 |
1696 reflections |
Δρmax = 0.72 e Å−3
|
119 parameters |
Δρmin = −1.87 e Å−3
|
13 restraints |
Absolute structure: Flack x determined using 668 quotients
[(I+)-(I-)]/[(I+)+(I-)]
(Parsons et al., 2013) |
Primary atom site location: structure-invariant direct methods |
Absolute structure parameter: −0.013 (14) |