Refinement on F2
|
Hydrogen site location: mixed |
Least-squares matrix: full |
H atoms treated by a mixture of independent and constrained refinement |
R[F2 > 2σ(F2)] = 0.059 |
w = 1/[σ2(Fo2) + (0.0864P)2 + 2.331P] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.158 |
(Δ/σ)max < 0.001 |
S = 1.02 |
Δρmax = 0.55 e Å−3
|
7615 reflections |
Δρmin = −0.19 e Å−3
|
546 parameters |
Absolute structure: Flack x determined using 2257 quotients
[(I+)-(I-)]/[(I+)+(I-)]
(Parsons et al., 2013) |
2 restraints |
Absolute structure parameter: 0.5 (4) |
Primary atom site location: structure-invariant direct methods |
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