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 |