| Crystal data |
| Chemical formula |
[Cu(C11H9N4O)(C2H3O2)]·2H2O |
|
M
r
|
371.84 |
| Crystal system, space group |
Monoclinic, C
c
|
| Temperature (K) |
153 |
|
a, b, c (Å) |
7.8256 (12), 22.331 (2), 8.9976 (13) |
| β (°) |
110.040 (16) |
|
V (Å3) |
1477.2 (4) |
|
Z
|
4 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
1.51 |
| Crystal size (mm) |
0.40 × 0.30 × 0.30 |
| |
| Data collection |
| Diffractometer |
Stoe IPDS I |
| Absorption correction |
Multi-scan (MULscanABS in PLATON; Spek, 2009 ▶) |
|
T
min, T
max
|
0.979, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
5730, 2705, 1778 |
|
R
int
|
0.070 |
| (sin θ/λ)max (Å−1) |
0.615 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.040, 0.072, 0.78 |
| No. of reflections |
2705 |
| No. of parameters |
203 |
| No. of restraints |
8 |
| H-atom treatment |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
0.40, −0.59 |
| Absolute structure |
Flack x determined using 665 quotients [(I
+)−(I
−)]/[(I
+)+(I
−)] (Parsons & Flack, 2004 ▶) |
| Absolute structure parameter |
−0.01 (3) |
