γ (degree)

120

V, Ǻ3

1914.78(5)

Z

3

P (calc.), g/cm3

1.539

2θ region (min, max) deg.

2.367 - 33.150

Index range

−18 ≤ h ≤ 18; −18 ≤ K ≤ 18, −22 ≤ 1 ≤ 22

Number of measured reflections

18563

Number of independent reflections

1625 [Rint = 0.0273]

Data/adjustable parameters

1625/76

600 F – no F2

1.083

R indices У ≥ 26 (У)

R1 = 0.0233, WR2 = 0.0670

R indexes or all data

R1 = 0.0239, WR2 = 0.0676

ρmax, ∆ρmin, e/Ǻ3

0.556 - 0.478