Empirical Formula | C6H4CrKO14Sr |
Formula weight | 478.81 |
Temperature (K) | 100 (1) |
Wavelength (Å) | 0.71073 |
Crystal system | Orthorhombic |
Space group | Fdd2 |
a (Å) | 14.110 (4) |
b (Å) | 36.074 (11) |
c (Å) | 11.034(3) |
α (˚) | 90 |
β (˚) | 90 |
γ (˚) | 90 |
Volume (Å3) | 5616 (3) |
Z | 16 |
Dcalc (g/cm3) | 2.265 |
Absorption coefficient (mm−1) | 4.944 |
F (000) | 3728.0 |
Crystal size (mm) | 0.281 × 0.085 × 0.038 |
2θ Range for data collection (˚) | 2.258 ? 59.906 |
Index ranges | −19 ≤ h ≤ 19; −50 ≤ k ≤ 50; −15 ≤ l ≤ 15 |
Reflections collected | 36173 |
Independent reflections (Rint; Rsigma) | 4070 (0.0399; 0.0214) |
Absorption correction | Semi-empirical |
Max. and min. transmission | 0.834 and 0.337 |
Refinement method | Full-matrix least squares on F2 |
Data/restraints/parameters | 4070/7/235 |
Goodness-of-fit on F2 | 1.086 |
Final R indices [I > 2 sigma(I)] | R1 = 0.0293, wR2 = 0.0720 |
R indices (all data) | R1 = 0.0300, wR2 = 0.0723 |
Largest diff. peak and hole (eÅ−3) | 1.19 and −0.68 |
Flack parameter | 0.001 (3) |