Empirical formula | Co4Na2O60W12 |
Formula weight | 3447.90 |
Temperature/K | 150.0 |
Crystal system | triclinic |
Space group | P-1 |
a/Å | 12.100 (4) |
b/Å | 12.147 (2) |
c/Å | 13.094 (4) |
α/° | 111.753 (7) |
β/° | 95.213 (9) |
γ/° | 105.490 (12) |
Volume/Å3 | 1683.4 (8) |
Z | 1 |
ρcalcg/cm3 | 3.401 |
μ/mm−1 | 21.470 |
F(000) | 1498.0 |
2Θ range for data collection/˚ | 4.96 to 55.12 |
Index ranges | −15 ≤ h ≤ 15, −15 ≤ k ≤ 13, −16 ≤ l ≤ 17 |
Reflections collected | 16946 |
Independent reflections | 7639 [Rint = 0.0452, Rsigma = 0.0671] |
Data/restraints/parameters | 7639/0/211 |
Goodness-of-fit on F2 | 1.088 |
Final R indexes [I >= 2σ (I)] | R1 = 0.0838, wR2 = 0.2105 |
Final R indexes [all data] | R1 = 0.1010, wR2 = 0.2213 |
Largest diff. peak/hole / e Å−3 | 8.83/−3.33 |