Crystal data | |
Chemical formula | Ba0.5Ag2[Cr(C2O4)3]・5H2O |
Mr | 690.55 |
Crystal system, space group | Monoclinic, C2/c |
Temperature (K) | 293(2) |
a, b, c (Å) | 18.179(3), 14.743(2), 12.278(2) |
β (˚) | 113.821(3) |
V(Å3) | 3010.34(90) |
Z | 8 |
Dcalc (Mg/m3) | 2.979 |
Radiation type | MoKα |
μ (mm−1) | 4.38 |
F(000) | 2468 |
Crystal size (mm) | 0.20 × 0.18 × 0.12 |
Data collection and refinement | |
Diffractometer | Bruker AXS SMART Xcalibur 3 diffractometer |
Absorption correction | Multi-scan with SADABS |
θ Range for data collection (˚) | 1.84 - 28.40 |
Index ranges | −23 < h < 23, −19 < k < 17, −16 < l < 16 |
Reflections collected | 15502 |
Independent reflections (Rint) | 4870 (0.0532) |
Completeness to θ = 28.40˚ (%) | 98.9 |
Max. and min. transmission | 0.661 and 0.472 |
Refinement method | Full-matrix least squares on F2 |
Data/restraints/parameters | 4870/1/247 |
Goodness-of-fit on F2 | 1.012 |
Final R indices [I > 2sigma(I)] | R1 = 0.0433, wR2 = 0.0901 |
R indices (all data) | R1 = 0.0532, wR2 = 0.0976 |
Largest diff. peak and hole (eÅ−3) | 2.499 and −1.879 |