| Crystal data |
| Chemical formula |
[Co(NCS)2(C2H3N)(C6H6N2S)3]·2C2H3N |
[Ni(NCS)2(C6H6N2S)4]·5CH4O |
|
M
r
|
712.81 |
887.83 |
| Crystal system, space group |
Monoclinic, P21/c
|
Triclinic, P
|
| Temperature (K) |
200 |
200 |
|
a, b, c (Å) |
11.3566 (4), 12.3251 (2), 23.7557 (8) |
10.4520 (3), 14.5934 (4), 15.0580 (5) |
| α, β, γ (°) |
90, 93.273 (3), 90 |
101.553 (2), 97.105 (2), 106.417 (2) |
|
V (Å3) |
3319.69 (17) |
2118.43 (11) |
|
Z
|
4 |
2 |
| Radiation type |
Mo Kα |
Mo Kα |
| μ (mm−1) |
0.87 |
0.80 |
| Crystal size (mm) |
0.12 × 0.10 × 0.08 |
0.30 × 0.18 × 0.10 |
| |
| Data collection |
| Diffractometer |
Stoe IPDS2 |
Stoe IPDS2 |
| Absorption correction |
– |
Numerical (X-RED and X-SHAPE; Stoe, 2008 ▸) |
|
T
min, T
max
|
– |
0.622, 0.889 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
25043, 7218, 6002 |
30865, 9253, 7895 |
|
R
int
|
0.027 |
0.031 |
| (sin θ/λ)max (Å−1) |
0.639 |
0.639 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.032, 0.080, 1.04 |
0.039, 0.109, 1.06 |
| No. of reflections |
7218 |
9253 |
| No. of parameters |
419 |
486 |
| No. of restraints |
9 |
0 |
| H-atom treatment |
H-atom parameters constrained |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.34, −0.33 |
0.62, −0.57 |
