Table 3. Experimental details.
Crystal data | |
Chemical formula | [Cu2(C4H4O4)2(C11H10N4O)] |
M r | 573.45 |
Crystal system, space group | Monoclinic, P21/c |
Temperature (K) | 173 |
a, b, c (Å) | 15.587 (2), 6.7579 (10), 20.942 (3) |
β (°) | 111.614 (2) |
V (Å3) | 2050.9 (5) |
Z | 4 |
Radiation type | Mo Kα |
μ (mm−1) | 2.14 |
Crystal size (mm) | 0.24 × 0.12 × 0.05 |
Data collection | |
Diffractometer | Bruker APEXII CCD |
Absorption correction | Multi-scan (SADABS; Bruker, 2013 ▸) |
T min, T max | 0.568, 0.745 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 15941, 3758, 2378 |
R int | 0.110 |
(sin θ/λ)max (Å−1) | 0.603 |
Refinement | |
R[F 2 > 2σ(F 2)], wR(F 2), S | 0.056, 0.151, 0.99 |
No. of reflections | 3758 |
No. of parameters | 307 |
H-atom treatment | H-atom parameters constrained |
Δρmax, Δρmin (e Å−3) | 1.12, −0.60 |