| Empirical formula | C12H22N4O5Zn |
| Molar mass | 365.69 g・mol−1 |
| Temperature | 173(2) K |
| Wavelength | 0.71073 Å |
| Crystal system | Orthorhombique |
| Space group | Pbca |
| Unit cell dimensions | a = 14.7230(2) Å, b = 7.38830(10) Å, c = 29,0843(4) Å, α = 90˚, β = 90˚, γ = 90˚ |
| Volume | 3163.73(7) Å3 |
| Z | 8 |
| Density (calculated) | 1.536 mg/m3 |
| Absorption coefficient | 1.581 mm−1 |
| F(000) | 1520 |
| Crystal size | 0.50 × 0.22 × 0.18 mm3 |
| Theta range for data collection | 2.77˚ to 25.25˚ |
| Index ranges | −17 ≤ h ≤ 9, −8 ≤ h ≤ 8, −34 ≤ 1 ≤ 13 |
| Reflection collected | 22,220 |
| Independent reflection | 2853 [R(int) = 0.0236] |
| Completeness to theta = 25.25˚ | 99.7% |
| Absorption correction | Semi-empirical from equivalents |
| Max and min. transmission | 0.7640 and 0.5054 |
| Refinement method | Full-matrix least-squares on F2 |
| Data/restraints/parameters | 2853/4/213 |
| Goodness-of-fit on F2 | 1.043 |
| Final R indices [I > 2sigma(I)] | R1 = 0.0205, wR2 = 0.0547 |
| R indices (all data) | R1 = 0.0244, wR2 = 0.0562 |
| Largest diff peak and hole | 0.302 and −0.247 e∙Å−3 |