CCDC N˚ | 1,988,875 |
Empirical formula | C9H24NCrO14 |
Formula weight | 422.29 |
Temperature (K) | 100 (1) |
Wavelength (Å) | 0.71073 |
Crystal system | Orthorhombic |
Space group | Cmc21 |
a (Å) | 7.4329 (3) |
b (Å) | 9.9356 (5) |
c (Å) | 23.6756 (1) |
α (˚) | 90.0 |
β (˚) | 90.0 |
γ (˚) | 90.0 |
Volume (Å3) | 1748.5 (1) |
Z, Z’ | 4, 1/2 |
Absorption coefficient (mm−1) | 0.726 |
F(000) | 884 |
Crystal size (mm) | 0.21 × 0.17 × 0.15 |
Theta range for data collection (˚) | 3.4 - 37.7 |
Index ranges | −12 < h < 12, −16 < k < 17, −39 < l < 40 |
Total reflections | 25774 |
Unique reflections (Rint) | 4831(0.025) |
Refinement method | Full-matrix least squares on F2 |
Data/restraints/parameters | 4831/2/153 |
Goodness-of-fit (GOF) on F2 | 1.06 |
Final R indices [I > 2 sigma (I)] | R1 = 0.0220, wR2 = 0.0571 |
R indices (all data) | R1 = 0.0228, wR2 = 0.0578 |
Dρmax and Dρmin (e/Å3) | 0.31 and −0.81 |
Flack parameter | 0.00 (4) |