| Crystal data |
| Chemical formula |
[Cu(C7H3NO4)(C3H4N2)(H2O)]·2H2O |
|
M
r
|
350.77 |
| Crystal system, space group |
Triclinic, P
|
| Temperature (K) |
296 |
|
a, b, c (Å) |
5.2171 (9), 8.9249 (16), 15.309 (3) |
| α, β, γ (°) |
105.289 (8), 94.523 (8), 93.295 (9) |
|
V (Å3) |
683.2 (2) |
|
Z
|
2 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
1.64 |
| Crystal size (mm) |
0.25 × 0.23 × 0.12 |
| |
| Data collection |
| Diffractometer |
Bruker SMART CCD area-detector |
| Absorption correction |
Multi-scan (SADABS; Bruker, 2012 ▸) |
|
T
min, T
max
|
0.546, 0.726 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
15587, 3312, 3110 |
|
R
int
|
0.024 |
| (sin θ/λ)max (Å−1) |
0.667 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.035, 0.088, 1.15 |
| No. of reflections |
3312 |
| No. of parameters |
214 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.68, −0.53 |
