Table 1.
Crystal data and structure refinement for [VOO(dipic)](2-phepyH)·H2O.
| Chemical Formula | C18H15N2O7V |
|---|---|
| Formula weight/g·mol−1 | 422.26 |
| Crystal system | monoclinic |
| Space group | P21/c |
| a/Å | 11.7061(9) |
| b/Å | 10.6882(5) |
| c/Å | 15.3271(11) |
| α/° | 90 |
| β/° | 111.967(8) |
| γ/° | 90 |
| V/Å3 | 1778.5(2) |
| Z | 2 |
| T/K | 295(2) |
| λMo/Å | 0.71073 |
| ρcalc/g·cm–3 | 1.577 |
| F(000) | 864 |
| µ/mm−1 | 0.603 |
| θ range/° | 3.35–25.00 |
| Completeness θ/% | 99.8 |
| Reflections collected | 11911 |
| Reflections unique | 3121 [Rint = 0.0525] |
| Data/restraints/parameters | 3121/3/262 |
| Goodness of fit on F2 | 1.058 |
| Final R1 value (I > 2σ(I)) | 0.0468 |
| Final wR2 value (I > 2σ(I)) | 0.0992 |
| Final R1 value (all data) | 0.0655 |
| Final wR2 value (all data) | 0.1069 |
| CCDC number | 2087422 |