| Empirical formula | C24H48Ba6Fe4O72 |
| Formula weight | 2536.06 |
| Temperature (K) | 100(1) |
| Wavelength (Å) | 1.54178 |
| Crystal system | triclinic |
| Space group |
|
| a (Å) | 10.9539(10) |
| b (Å) | 17.4492(15) |
| c (Å) | 18.700(2) |
| α (˚) | 88.868(5) |
| β (˚) | 86.160(7) |
| γ (˚) | 76.462(6) |
| Volume (Å3) | 3467.2(6) |
| Z | 2 |
| Dcalc (g/cm3) | 2.429 |
| Absorption coefficient (mm−1) | 33.807 |
| F(000) | 2416.0 |
| Crystal size (mm) | 0.4 × 0.3 × 0.2 |
| 2θ Range for data collection (˚) | 4.736 - 140.59 |
| Index ranges | −13 ≤ h ≤ 12; −21 ≤ k ≤ 21; −22 ≤ l ≤ 22 |
| Reflections collected | 58487 |
| Independent reflections (Rint) | 12756 (0.0644) |
| Absorption correction | Semi-empirical |
| Max. and min. transmission | 0.470 and 0.182 |
| Refinement method | Full-matrix least squares on F2 |
| Data/restraints/parameters | 12756/38/1028 |
| Goodness-of-fit on F2 | 1.031 |
| Final R indices [I > 2 sigma(I)] | R1 = 0.0442, wR2 = 0.1066 |
| R indices (all data) | R1 = 0.0564, wR2 = 0.1123 |
| Largest diff. peak and hole (eÅ−3) | 2.03 and −2.64 |
