Table 1.
Crystallographic data of compounds 1·MeOH and 2·H2O·Et2O.
| Compound | 1·MeOH | 2·H2O·Et2O |
|---|---|---|
| Chemical formula | C21H22F12N10NiOP2 | C26H34F12N10NiO2P2 |
| Formula weight | 779.10 | 867.25 |
| T/K | 188(2) | 188(2) |
| Crystal color and shape | orange, block | orange, platelet |
| Size of specimen/mm | 0.30 × 0.26 × 0.25 | 0.45 × 0.30 × 0.29 |
| Crystal system | Orthorhombic | Monoclinic |
| Space group, Z | P212121, 4 | P21/n, 4 |
| a/Å | 8.6212(4) | 12.5812(12) |
| b/Å | 10.3267(6) | 14.6221(12) |
| c/Å | 33.20894(17) | 19.9359(18) |
| β/° | 90 | 98.664(3) |
| U/Å3 | 2956.6(2) | 3625.6(6) |
| Dcalc/g cm−3 | 1.750 | 1.589 |
| µ(Mo Kα)/mm−1 | 0.8783 | 0.7270 |
| R int | 0.0547 | 0.0628 |
| No. reflns/params. | 6767/426 | 8299/478 |
| R1 [F2: Fo2 > 2σ(Fo2)] | 0.0522 | 0.0903 |
| wR2 (F2: all data) | 0.1351 | 0.2966 |
| GoF | 0.872 | 1.084 |
| Flack param. | 0.022(7) | — |