| Crystal data |
| Chemical formula |
[Co3(C7H4ClO2)6(C10H8N2)4(H2O)2]·2CH4O |
|
M
r
|
1834.95 |
| Crystal system, space group |
Triclinic, P
|
| Temperature (K) |
296 |
|
a, b, c (Å) |
11.388 (2), 11.868 (2), 18.055 (3) |
| α, β, γ (°) |
79.516 (6), 79.088 (6), 62.148 (6) |
|
V (Å3) |
2106.3 (7) |
|
Z
|
1 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.84 |
| Crystal size (mm) |
0.43 × 0.32 × 0.26 |
| |
| Data collection |
| Diffractometer |
Bruker D8 QUEST CMOS PHOTON II |
| Absorption correction |
Multi-scan (SADABS; Bruker, 2016 ▸) |
|
T
min, T
max
|
0.684, 0.745 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
78843, 8352, 6158 |
|
R
int
|
0.077 |
| (sin θ/λ)max (Å−1) |
0.621 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.037, 0.093, 1.02 |
| No. of reflections |
8352 |
| No. of parameters |
598 |
| No. of restraints |
43 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.39, −0.36 |
