Table 2. Experimental details.
Crystal data | |
Chemical formula | [Co(C57H52N6O6)] |
M r | 975.97 |
Crystal system, space group | Monoclinic, P21/n |
Temperature (K) | 100 |
a, b, c (Å) | 17.2445 (6), 14.1398 (5), 19.6452 (7) |
β (°) | 93.3307 (12) |
V (Å3) | 4782.1 (3) |
Z | 4 |
Radiation type | Mo Kα |
μ (mm−1) | 0.42 |
Crystal size (mm) | 0.37 × 0.20 × 0.06 |
Data collection | |
Diffractometer | Bruker D8 QUEST System |
Absorption correction | Multi-scan (SADABS; Bruker, 2013 ▸) |
T min, T max | 0.904, 0.975 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 70434, 10590, 8774 |
R int | 0.062 |
(sin θ/λ)max (Å−1) | 0.643 |
Refinement | |
R[F 2 > 2σ(F 2)], wR(F 2), S | 0.043, 0.106, 1.06 |
No. of reflections | 10590 |
No. of parameters | 667 |
H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
Δρmax, Δρmin (e Å−3) | 0.69, −0.43 |