| Crystal data |
| Chemical formula |
(C4H12N)[V(C12H8N4O2)O2]·H2O |
|
M
r
|
415.32 |
| Crystal system, space group |
Triclinic, P
|
| Temperature (K) |
298 |
|
a, b, c (Å) |
7.6850 (4), 9.4135 (4), 13.9147 (7) |
| α, β, γ (°) |
105.609 (2), 101.103 (2), 96.253 (2) |
|
V (Å3) |
937.50 (8) |
|
Z
|
2 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.57 |
| Crystal size (mm) |
0.32 × 0.18 × 0.03 |
| |
| Data collection |
| Diffractometer |
Bruker D8 Quest with Photon II area detector |
| Absorption correction |
Multi-scan (SADABS; Krause et al., 2015 ▸) |
|
T
min, T
max
|
0.670, 0.747 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
61285, 5048, 3852 |
|
R
int
|
0.081 |
| (sin θ/λ)max (Å−1) |
0.685 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.038, 0.110, 1.06 |
| No. of reflections |
5048 |
| No. of parameters |
274 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.43, −0.39 |
