| Crystal data |
| Chemical formula |
C9H12N2O7P2H2O |
|
M
r
|
340.16 |
| Crystal system, space group |
Triclinic, P
|
| Temperature (K) |
294 |
|
a, b, c () |
7.3668(11), 8.9833(12), 9.9733(18) |
| , , () |
75.0136(17), 77.2716(17), 88.5706(18) |
|
V (3) |
621.54(17) |
|
Z
|
2 |
| Radiation type |
Mo K
|
| (mm1) |
0.40 |
| Crystal size (mm) |
0.18 0.15 0.10 |
| |
| Data collection |
| Diffractometer |
Bruker SMART 1000 CCD |
| Absorption correction |
Multi-scan (SADABS; Bruker, 2008 ▸) |
|
T
min, T
max
|
0.640, 0.746 |
| No. of measured, independent and observed [I > 2(I)] reflections |
10459, 4054, 3413 |
|
R
int
|
0.020 |
| (sin /)max (1) |
0.752 |
| |
| Refinement |
|
R[F
2 > 2(F
2)], wR(F
2), S
|
0.035, 0.101, 1.07 |
| No. of reflections |
4054 |
| No. of parameters |
218 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
|
max, min (e 3) |
0.55, 0.28 |
