| Crystal data |
| Chemical formula |
{[Ni(C10H8N2)(H2O)4](C6H3ClNO2)2·4H2O}n
|
|
M
r
|
672.11 |
| Crystal system, space group |
Monoclinic, P21/n
|
| Temperature (K) |
296 |
|
a, b, c (Å) |
10.7997 (3), 11.2319 (2), 12.0225 (3) |
| β (°) |
95.184 (2) |
|
V (Å3) |
1452.38 (6) |
|
Z
|
2 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.92 |
| Crystal size (mm) |
0.24 × 0.18 × 0.16 |
| |
| Data collection |
| Diffractometer |
Oxford Diffraction Xcalibur2 diffractometer with Sapphire 3 CCD detector |
| Absorption correction |
Multi-scan (CrysAlis PRO; Rigaku OD, 2018 ▸) |
|
T
min, T
max
|
0.927, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
11778, 2541, 2144 |
|
R
int
|
0.025 |
| (sin θ/λ)max (Å−1) |
0.595 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.029, 0.074, 1.07 |
| No. of reflections |
2541 |
| No. of parameters |
211 |
| No. of restraints |
12 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.23, −0.23 |
