|
| Zn(3-ampy)2(SCN)2 | Zn(3-ampy)2(SCN)2 [11] |
| Chemical formula | C12H12N6S2Zn | [Zn(NCS)2(C5H6N2)2] |
| Mr | 369.77 | 369.77 |
| Crystal system, space group | Orthorhombic, Pnma | Orthorhombic, Pnma |
| Temperature (K) | 130 |
|
| a, b, c (Å) | 10.0407 (3), 12.1062 (4), 12.6172 (4) | 10.174 (3), 12.312 (3), 12.711 (4) |
| V (Å3) | 1533.68 (8) | 1592.2 (8) |
| Z | 4 | 4 |
| Radiation type | Mo Kα | Mo K radiation |
| µ (mm−1) | 1.87 |
|
| Crystal size (mm) | 0.50 × 0.03 × 0.01 |
|
| Diffractometer | Xcalibur, Sapphire3, Gemini diffractometer |
|
| Absorption correction | Multi-scan |
|
| Tmin, Tmax | 0.759, 1.000 |
|
| No. of measured, independent and observed [I > 2σ(I)] reflections | 22,468, 2782, 2260 |
|
| Rint | 0.053 |
|
| (sinθ/λ)max (Å−1) | 0.757 |
|
| R[F2 > 2σ(F2)], wR(F2), S | 0.035, 0.074, 1.05 |
|
| No. of reflections | 2782 |
|
| No. of parameters | 130 |
|
| No. of restraints | 0 |
|
| H-atom treatment | All H-atom parameters refined |
|
| Δρmax, Δρmin (e Å−3) | 0.42, −0.38 |
|