Table 2.
Summary of the crystallographic parameters of the structure determination for cyclohexylammonium tetraisothiocyanatocobaltate(II), (C6H11NH3)2[Co(NCS)4].
| Crystal Structure Data | |
|---|---|
| Empirical Formula | C16H28CoN6S4 |
| Formula weight | 491.61 |
| Crystal System | Orthorhombic |
| Space group | Pbcm (No. 57) |
| a (Å) | 11.4808 |
| b (Å) | 8.5881 (3) |
| c (Å) | 24.4244 (8) |
| α (°) | 90 |
| β (°) | 90 |
| γ (°) | 90 |
| Volume (Å3) | 2408.20 (14) |
| Z | 4 |
| ρcal (g/cm3) | 1.356 |
| μ (mm−1) | 8.932 |
| F(000) | 1028 |
| Crystal size (mm) | 0.05 × 0.05 × 0.12 |
| Cu Kα radiation (Å) | 1.54178 |
| T (°C) | -143.15 |
| 2θ range (°) | 3.6 to 74.6 |
| Reflections collected | 43418 |
| Unique reflections | 2601 |
| Rint | 0.072 |
| Data; Parameters | 2346; 146 |
| Goodness-of-fit | 1.05 |
| Final R indices [I > 2σ(I)] |
R(F) = 0.0473 wR(F2) = 0.1368 |
| Δρmax; Δρmin (e/Å3) | 0.76; −0.72 |
| CCDC No. | 1859673 |