Refinement on F2
|
H atoms treated by a mixture of independent and constrained refinement |
Least-squares matrix: full |
w = 1/[σ2(Fo2) + (0.0274P)2] where P = (Fo2 + 2Fc2)/3 |
R[F2 > 2σ(F2)] = 0.028 |
(Δ/σ)max = 0.001 |
wR(F2) = 0.062 |
Δρmax = 0.60 e Å−3
|
S = 1.03 |
Δρmin = −0.38 e Å−3
|
2232 reflections |
Extinction correction: SHELXL2014 (Sheldrick, 2015), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
|
128 parameters |
Extinction coefficient: 0.019 (3) |
9 restraints |
Absolute structure: Flack x determined using 908 quotients
[(I+)-(I-)]/[(I+)+(I-)]
(Parsons et al., 2013) |
Primary atom site location: structure-invariant direct methods |
Absolute structure parameter: −0.022 (11) |
Hydrogen site location: mixed |
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