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)] = 0.023 |
w = 1/[σ2(Fo2) + (0.0397P)2 + 0.6757P] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.062 |
(Δ/σ)max = 0.003 |
S = 1.04 |
Δρmax = 0.37 e Å−3
|
7129 reflections |
Δρmin = −0.72 e Å−3
|
445 parameters |
Absolute structure: Flack x determined using 3095 quotients
[(I+)-(I-)]/[(I+)+(I-)]
(Parsons et al., 2013) |
2 restraints |
Absolute structure parameter: −0.019 (7) |
Primary atom site location: dual |
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