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