CCDC N˚ | CCDC-839359 |
Empirical formula | C10H28CoN16O14 |
Formula weight | 655.42 |
Temperature (K) | 296 (2) |
Wavelength (Å) | 0.71073 |
Crystal system | triclinic |
Space group | P-1 |
Unit cell dimensions |
|
a (Å) | 9.46 (4) |
b (Å) | 11.84 (5) |
c (Å) | 12.81 (5) |
α (˚) | 104.94 (6) |
β (˚) | 99.29 (5) |
γ (˚) | 106.73 (5) |
Volume (Å3) | 1284 (9) |
Z | 2 |
Density (calculated, g∙cm−3) | 1.696 |
Absorption coefficient (mm−1) | 0.765 |
F(000) | 678 |
Crystal size (mm) | 0.50 × 0.12 × 0.10 |
Theta range for data collection (˚) | 1.70 - 25.00 |
Limiting indices | −11 ≤ h ≤ 11 −14 ≤ k ≤ 8 −15 ≤ l ≤ 15 |
Reflections collected | 6152 |
Independent reflections | 4429 [R(int) = 0.1281] |
Absorption correction | Semi-empirical from equivalents |
Refinement method | Full-matrix least-squares on F2 |
Data/restraints/parameters | 4429/0/379 |
Goodness-of-fit on F2 | 1.008 |
Final R indices [I > 2σ(I)] | R1 = 0.0324, wR2 = 0.0657 |
R indices (all data) | R1 = 0.0379, wR2 = 0.0685 |
Largest difference peak and hole (eÅ−3) | 4.812 and −3.307 |
Extinction coefficient | 0.000 (9) |
Completeness to θ = 25.00, % | 97.9 |