Table 2. Experimental details.
Crystal data | |
Chemical formula | [Co(C6H6N2O)2(H2O)4](C4H2O4) |
M r | 489.30 |
Crystal system, space group | Monoclinic, P21/c |
Temperature (K) | 296 |
a, b, c (Å) | 9.6914 (10), 10.0106 (11), 11.3811 (12) |
β (°) | 113.416 (3) |
V (Å3) | 1013.22 (19) |
Z | 2 |
Radiation type | Mo Kα |
μ (mm−1) | 0.91 |
Crystal size (mm) | 0.25 × 0.19 × 0.16 |
Data collection | |
Diffractometer | Bruker APEXII CCD |
Absorption correction | Analytical (X-RED32; Stoe & Cie, 2002 ▸) |
T min, T max | 0.394, 0.746 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 19963, 1962, 1830 |
R int | 0.032 |
(sin θ/λ)max (Å−1) | 0.617 |
Refinement | |
R[F 2 > 2σ(F 2)], wR(F 2), S | 0.032, 0.077, 1.14 |
No. of reflections | 1962 |
No. of parameters | 144 |
H-atom treatment | H-atom parameters constrained |
Δρmax, Δρmin (e Å−3) | 0.35, −0.35 |