Table 1. Experimental and crystallographic data.
| Crystal data | |
| Chemical formula | Co(C12H30N8)(NO3)3 |
| M r | 531.4 |
| Crystal system, superspace group | Monoclinic c-unique, C21(σ1σ20)0 |
| Temperature (K) | 95 |
| Wavevector | q = 0.166667a* |
| a, b, c (Å) | 8.4283 (1), 14.5984 (1), 15.7057 (1) |
| γ (°) | 89.9943 (3) |
| V (Å3) | 1932.42 (3) |
| Z | 4 |
| Radiation type | Synchrotron, λ = 0.50917 Å |
| μ (mm−1) | 0.39 |
| Crystal size (mm) | 0.25 × 0.13 × 0.10 |
| Commensurate section | t 0 = 0 |
| Supercell | 6a × b × c |
| Supercell space group | P21 |
| Diffraction data | |
| (sin θ/λ)max (Å−1) | 0.83777 |
| Δφ, Δω (°) | 1 |
| Exposure time (s) | 4, 10, 80 |
| Absorption correction | Empirical, multiscan |
| Criterion of observability | I > 3σ(I) |
| Unique reflections | |
| All (obs/all) | 19 292/59 443 |
| Main (obs/all) | 7916/8468 |
| Satellites (obs/all) | 11 376/50 975 |
| R int (obs/all) | 0.0183/0.0225 |
| Refinement | |
| GoF (obs/all) | 2.11/1.32 |
| R obs/wR all | 0.0493/0.0662 |
| No. of parameters | 865 |
| H-atom treatment | mixed |
| Twin volumes (1, 2) | 0.163 (2), 0.1480 (11) |
| (3, 4) | 0.1845 (11), 0.1384 (11) |
| (5, 6) | 0.1731 (11), 0.1932 (11) |
| Twin matrices (2) |
|
| (3) |
|
| (4) |
|
| (5) |
|
| (6) |
|
| Δρmin, Δρmax (e Å−3) | −0.60, 0.58 |












