| Crystal data |
| Chemical formula |
[Ni(C7H20N4)(H2O)2][Ni(C7H3NO4)2] |
|
M
r
|
643.93 |
| Crystal system, space group |
Orthorhombic, P212121
|
| Temperature (K) |
100 |
|
a, b, c (Å) |
9.3219 (6), 16.3211 (10), 16.9483 (8) |
|
V (Å3) |
2578.6 (3) |
|
Z
|
4 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
1.53 |
| Crystal size (mm) |
0.25 × 0.2 × 0.2 |
| |
| Data collection |
| Diffractometer |
Bruker APEXII CCD |
| Absorption correction |
Multi-scan (CrysAlis PRO; Rigaku OD, 2019 ▸) |
|
T
min, T
max
|
0.705, 0.737 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
36128, 4909, 4668 |
|
R
int
|
0.045 |
| (sin θ/λ)max (Å−1) |
0.610 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.021, 0.050, 1.04 |
| No. of reflections |
4909 |
| No. of parameters |
356 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.49, −0.26 |
| Absolute structure |
Flack x determined using 1953 quotients [(I
+)−(I
−)]/[(I
+)+(I
−)] (Parsons et al., 2013 ▸) |
| Absolute structure parameter |
−0.010 (4) |
