CCDC N˚ | 1981174 |
Empirical formula | C10H20CrNO10 |
Formula weight | 366.27 |
Temperature (K) | 293 (2) |
Wavelength (Å) | 0.71073 |
Crystal system | Orthorhombic |
Space group | Pbcn |
Unit cell dimensions | a = 11.1776 (10) (Å) |
b = 7.6105 (10) (Å) | |
c = 17.5654 (2) (Å) | |
α = 90.0˚ | |
β = 90.0˚ | |
γ = 90.0˚ | |
Volume (Å3) | 1494.24 (3) |
Z, Z’ | 4, 1/2 |
Density (calculated) mg/m3 | 1.628 |
Absorption coefficient (mm−1) | 0.817 |
F(000) | 764 |
Crystal size (mm3) | 0.172 × 0.144 × 0.055 |
Theta range for data collection (˚) | 2.319 - 28.714 |
Index ranges | −15 ≤ h ≤ 15, −9 ≤ k ≤ 10, −23 ≤ l ≤ 23 |
Reflections collected | 26,559 |
Independent reflections | 1936 (R(int) = 0.029) |
Completness to theta = 25.242˚ | 100.0% |
Refinement method | Full-matrix least squares on F2 |
Data/restraints/parameters | 1936/3/151 |
Goodness-of-fit on F2 | 1.100 |
Final R indices [I > 2 sigma(I)] | R1 = 0.0275, wR2 = 0.0810 |
R indices (all data) | R1 = 0325, wR2 = 0.0862 |
Extinction coefficient | 0.0059 (8) |
Largest diff. peak and hole (e/Å3) | 0.386 and −0.487 |