| Crystal data |
| Chemical formula |
[Co(C24H16N2)3](PF6)3·H2O |
|
M
r
|
1509.02 |
| Crystal system, space group |
Monoclinic, P21/c
|
| Temperature (K) |
160 |
|
a, b, c (Å) |
11.23448 (10), 25.0698 (2), 23.3956 (2) |
| β (°) |
96.9903 (8) |
|
V (Å3) |
6540.29 (10) |
|
Z
|
4 |
| Radiation type |
Cu Kα |
| μ (mm−1) |
3.66 |
| Crystal size (mm) |
0.18 × 0.12 × 0.02 |
| |
| Data collection |
| Diffractometer |
XtaLAB Synergy, Dualflex, Pilatus 200K |
| Absorption correction |
Analytical [(CrysAlis PRO; Rigaku OD (2019 ▸) based on expressions derived by Clark & Reid, 1995 ▸] |
|
T
min, T
max
|
0.595, 0.929 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
71503, 13335, 11500 |
|
R
int
|
0.040 |
| (sin θ/λ)max (Å−1) |
0.625 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.080, 0.243, 1.04 |
| No. of reflections |
13335 |
| No. of parameters |
953 |
| No. of restraints |
272 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
1.88, −1.05 |
