Refinement on F2
|
Secondary atom site location: difference Fourier map |
Least-squares matrix: full |
Hydrogen site location: inferred from neighbouring sites |
R[F2 > 2σ(F2)] = 0.033 |
H-atom parameters constrained |
wR(F2) = 0.092 |
w = 1/[σ2(Fo2) + (0.0507P)2 + 0.9038P] where P = (Fo2 + 2Fc2)/3 |
S = 1.06 |
(Δ/σ)max = 0.001 |
6993 reflections |
Δρmax = 1.50 e Å−3
|
247 parameters |
Δρmin = −0.68 e Å−3
|
1 restraint |
Absolute structure: Flack x determined using 3144 quotients
[(I+)-(I-)]/[(I+)+(I-)]
(Parsons et al., 2013) |
Primary atom site location: structure-invariant direct methods |
Absolute structure parameter: 0.018 (6) |