Refinement on F2
|
Hydrogen site location: inferred from neighbouring sites |
Least-squares matrix: full |
H-atom parameters constrained |
R[F2 > 2σ(F2)] = 0.050 |
w = 1/[σ2(Fo2) + (0.0405P)2] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.093 |
(Δ/σ)max = 0.001 |
S = 1.01 |
Δρmax = 0.24 e Å−3
|
10764 reflections |
Δρmin = −0.18 e Å−3
|
792 parameters |
Absolute structure: Flack x determined using 2632 quotients
[(I+)-(I-)]/[(I+)+(I-)]
(Parsons et al., 2013). |
1 restraint |
Absolute structure parameter: −0.3 (4) |
Primary atom site location: dual |
|