Table 1. Crystallographic Parameters of the P1, P2, and INT.
| parameters | P1 | P2 | INT |
|---|---|---|---|
| formula | Cu2C70H76N10O25 | Cu2C70H76N10O25 | CuC37H41N5O12 |
| CCDC | 2250640 | 2250641 | 2250642 |
| mol. wt. | 1584.48 | 1584.48 | 811.29 |
| crystal system | triclinic | monoclinic | triclinic |
| space group | P1̅ | P21/c | P1̅ |
| a (Å) | 11.380(7) | 11.338(4) | 9.70(2) |
| b (Å) | 15.195(10) | 41.360(12) | 13.71(3) |
| c (Å) | 22.011(14) | 15.328(5) | 14.69(3) |
| α (°) | 79.784(17) | 90 | 78.23(4) |
| β (°) | 75.809(17) | 94.020(9) | 79.74(5) |
| γ (°) | 88.457(18) | 90 | 83.84(7) |
| V (Å3) | 3631(4) | 7170(4) | 1877(7) |
| density, g cm–3 | 1.449 | 1.468 | 1.435 |
| abs. coeff., mm–1 | 0.673 | 0.682 | 0.652 |
| F (000) | 1648 | 3296 | 846 |
| total no. of reflections | 12,769 | 12,633 | 6607 |
| reflections, I > 2σ(I) | 8107 | 8946 | 5464 |
| max. θ/° | 24.999 | 25.000 | 25.000 |
| ranges (h, k, l) | –13 ≤ h ≤ 13 | –13 ≤ h ≤ 13 | –11 ≤ h ≤ 11 |
| –18 ≤ k ≤ 18 | –49 ≤ k ≤ 49 | –16 ≤ k ≤ 16 | |
| –26 ≤ l ≤ 26 | –18 ≤ l ≤ 18 | –17 ≤ l ≤ 17 | |
| complete to 2θ (%) | 99.9 | 99.9 | 99.6 |
| data/restraints/parameters | 12,769/0/983 | 12,633/1/986 | 6607/0/500 |
| GooF (F2) | 1.109 | 1.096 | 1.016 |
| R indices [I > 2σ(I)] | 0.0833 | 0.0523 | 0.0555 |
| wR2 [I > 2σ(I)] | 0.1713 | 0.1125 | 0.1488 |
| R indices (all data) | 0.1391 | 0.0881 | 0.0704 |
| wR2 (all data) | 0.2102 | 0.1395 | 0.1709 |