| Crystal data |
| Chemical formula |
[RuCl(C15H10ClN3)(CO)2][Ru(CO)3Cl3] |
[RuCl2(C15H10ClN3(CO)2] |
|
M
r
|
751.70 |
495.70 |
| Crystal system, space group |
Monoclinic, P21/c
|
Triclinic, P
|
| Temperature (K) |
123 |
123 |
|
a, b, c (Å) |
14.3578 (4), 13.9158 (2), 13.2220 (3) |
7.3019 (3), 8.5080 (3), 14.7702 (6) |
| α, β, γ (°) |
90, 114.080 (3), 90 |
101.287 (3), 91.835 (3), 98.144 (3) |
|
V (Å3) |
2411.86 (11) |
889.09 (6) |
|
Z
|
4 |
2 |
| Radiation type |
Mo Kα |
Mo Kα |
| μ (mm−1) |
1.85 |
1.35 |
| Crystal size (mm) |
0.34 × 0.08 × 0.06 |
0.30 × 0.08 × 0.05 |
| |
| Data collection |
| Diffractometer |
Agilent SuperNova, Dual, Cu at zero, Atlas |
Agilent SuperNova, Dual, Cu at zero, Atlas |
| Absorption correction |
Multi-scan (CrysAlis PRO; Agilent, 2013 ▸) |
Multi-scan (CrysAlis PRO; Agilent, 2013 ▸) |
|
T
min, T
max
|
0.914, 1.000 |
0.300, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
11072, 4864, 4264 |
7508, 3662, 3405 |
|
R
int
|
0.023 |
0.036 |
| (sin θ/λ)max (Å−1) |
0.625 |
0.630 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.024, 0.050, 1.06 |
0.033, 0.088, 1.07 |
| No. of reflections |
4864 |
3662 |
| No. of parameters |
316 |
235 |
| H-atom treatment |
H-atom parameters constrained |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.43, −0.48 |
0.74, −1.43 |
