| Crystal data |
| Chemical formula |
[Ca2Cu(C9H3O6)2(H2O)2] |
|
M
r
|
593.96 |
| Crystal system, space group |
Triclinic, P
|
| Temperature (K) |
296 |
|
a, b, c (Å) |
6.664 (3), 8.754 (4), 8.925 (4) |
| α, β, γ (°) |
103.065 (4), 110.140 (4), 92.776 (5) |
|
V (Å3) |
471.6 (4) |
|
Z
|
1 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
1.79 |
| Crystal size (mm) |
0.18 × 0.15 × 0.14 |
| |
| Data collection |
| Diffractometer |
Bruker SMART CCD |
| Absorption correction |
Multi-scan (SADABS; Bruker, 2009 ▸) |
|
T
min, T
max
|
0.721, 0.766 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
2442, 1635, 1588 |
|
R
int
|
0.012 |
| (sin θ/λ)max (Å−1) |
0.595 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.029, 0.084, 1.04 |
| No. of reflections |
1635 |
| No. of parameters |
166 |
| No. of restraints |
3 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.35, −0.68 |
