Crystal data and structure refinement for CPs 1–3.
| 1 | 2 | 3 | |
|---|---|---|---|
| Empirical formula | C36H31Ag2Mo4N13O13 | C33H20N6O8Zn | C21H16CdN6O2 |
| F w | 1453.24 | 693.92 | 496.80 |
| Crystal system | Monoclinic | Triclinic | Monoclinic |
| Space group | C2/c | P̄1 | P21/c |
| Temperature (K) | 302 | 298 | 98 |
| a (Å) | 24.1943(9) | 9.6385(2) | 16.6171(5) |
| b (Å) | 23.8328(9) | 12.8687(3) | 8.1566(2) |
| c (Å) | 15.2210(6) | 13.4092(3) | 20.3047(6) |
| α (deg) | 90 | 71.8180(10) | 90 |
| β (deg) | 102.567(2) | 75.2240(10) | 110.4400(10) |
| γ (deg) | 90 | 74.5340(10) | 90 |
| V (Å3) | 8566.4(6) | 1495.94(6) | 2578.80(13) |
| Z | 8 | 2 | 4 |
| D calc (g cm−3) | 2.254 | 1.541 | 1.280 |
| μ (mm−1) | 2.113 | 0.886 | 0.871 |
| F(000) | 5632 | 708 | 992 |
| Collected/unique | 66 529/10 656 | 33 100/7393 | 24 943/5921 |
| R (int) | 0.0611 | 0.0289 | 0.0232 |
| GOF on F2 | 1.090 | 1.017 | 1.060 |
| R 1 a [I > 2σ(I)] | 0.0855 | 0.0333 | 0.0268 |
| wR2b [I > σ(I)] | 0.1978 | 0.0887 | 0.0776 |
| R 1 a (all) | 0.1479 | 0.0407 | 0.0311 |
| wR2b (all) | 0.2603 | 0.0933 | 0.0803 |
a
R 1 = Σ ||Fo| − |Fc||/Σ|Fo|.
b
wR2 = {Σ[w(Fo2 − Fc2)2/Σw(Fo2)2]}1/2.