Empirical formula | C4H10N2O5Cu |
Formula weight | 229.68 |
Temperature | 273(2) K |
Wavelength | 0.71073 Å |
Crystal system, space group | Orthorhombic, P212121 |
Unit cell dimensions | a = 5.0212(7) Å b = 10.4206(14) Å c = 13.0071(16) Å |
Volume | 680.58(16) A3 |
D, calculated | 6, 2.242 Mg/m3 |
F(000) | 468 |
Crystal size | 0.59 × 0.22 × 0.05 mm |
Theta range for data collection | 2.50˚ to 27.998˚ |
Limiting indices | −6 <= h <= 6, −13 <= k <= 10, −14 <= l <= 17 |
Reflections collected/unique | 4782/1644 [R(int) = 0.0610] |
Completeness to theta = 27.998 | 100.0% |
Max. and min. transmission | 0.7868 and 0.1708 |
Refinement method | Full-matrix least-squares on F2 |
Data/restraints/parameters | 1644/3/115 |
Goodness-of-fit on F2 | 1.072 |
Final R indices [I > 2 sigma (I)] | R1 = 0.0404, wR2 = 0.0835 |
R indices (all data) | R1 = 0.0498, wR2 = 0.0888 |
Absolute structure parameter | 0.01(2) |
Largest difference peak and hole | 0.343 and −0・577 e・A−3 |