Journal of Crystallography

Research Article

Bis(ammonium) Zoledronate Dihydrate

Table 1

Crystal data, data collection, and refinement details for C5H8N2O7 ·2(H2O)·2(H4N+).
Empirical formulaC5H20N4O9P2
Formula weight342.19
Crystal systemTriclinic
Space group
Temperature293 K
Wavelength0.71073 Å
Unit cell dimensionsa = 6.8415 (4) Å
b = 7.5070 (5) Å
c = 13.9398 (10) Å
α = 81.735 (6)°
β = 82.922 (5)°
γ = 82.780 (5)°
Volume698.84 (8) Å3
2
Density (calcd.)1.626 Mg m−3
Absorption coeff.µ = 0.36 mm−1
(000)360
Crystal size0.45 × 0.12 × 0.08 mm
Crystal color and shapeColorless, block
θ range data collectionθ = 2.8–25.1°
Limiting indicesh = −5→8
k = −8→8
l = −16→15
Reflections collected3930
Independent reflections2481 ( = 0.023)
Refinement method Full-matrix least-square on
Data/restraints/parameters2481/14/235
Goodness-of-fit on 1.07
Final indices = 0.0481
= 0.1153
indices (all data) = 0.0586
( ) = 0.1279
Residual el. density = 0.49 e Å−3
= −0.34 e Å−3