Refinement on F2
|
H atoms treated by a mixture of independent and constrained refinement |
Least-squares matrix: full |
w = 1/[σ2(Fo2) + (0.0593P)2 + 0.1911P] where P = (Fo2 + 2Fc2)/3 |
R[F2 > 2σ(F2)] = 0.036 |
(Δ/σ)max < 0.001 |
wR(F2) = 0.100 |
Δρmax = 0.24 e Å−3
|
S = 1.02 |
Δρmin = −0.14 e Å−3
|
3343 reflections |
Extinction correction: SHELXL, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
|
256 parameters |
Extinction coefficient: 0.0111 (16) |
25 restraints |
Absolute structure: Flack x determined using 1089 quotients
[(I+)-(I-)]/[(I+)+(I-)]
(Parsons et al., 2013) |
Primary atom site location: difference Fourier map |
Absolute structure parameter: 0.2 (3) |
Hydrogen site location: mixed |
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