Formula | C11H14CuN4O7 |
---|---|
M r | 377.80 |
Color and habit | dark blue, prism |
Crystal system, space group | Triclinic, P |
Crystal dimensions/mm3 | 0.12 × 0.08 × 0.06 |
a/Ã… | 7.4759(9) |
b/Ã… | 9.6901(12) |
c/Ã… | 11.2469(15) |
α/° | 108.785(2) |
β/° | 96.549(3) |
γ/° | 112.521(2) |
V/Ã…3 | 685.77(15) |
Z | 2 |
Dcalc/g cm-3 | 1.830 |
Temperature/K | 120(2) |
θrange for data collection/° | 1.99-26.00 |
No. measured reflections | 6016 |
No. independent reflections (Rint) | 2668 (0.0371) |
No. observed reflections, I ≥ 2σ(I) | 1714 |
No. refined parameters | 208 |
Ra, wRb[I ≥ 2σ(I)] | 0.0394, 0.0626 |
R, wR [all data] | 0.0671, 0.0669 |
Goodness of fit on F2, Sc | 0.930 |
Max., min. electron density/e Ã…-3 | 1.382, -0.510 |