| Crystal data |
| Chemical formula |
[Fe(C2N3)2(C8H7N5)2]·2H2O |
|
M
r
|
570.35 |
| Crystal system, space group |
Triclinic, P
|
| Temperature (K) |
170 |
|
a, b, c (Å) |
8.1960 (7), 10.4671 (11), 14.7926 (14) |
| α, β, γ (°) |
105.254 (4), 92.903 (3), 90.356 (4) |
|
V (Å3) |
1222.5 (2) |
|
Z
|
2 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.67 |
| Crystal size (mm) |
0.25 × 0.20 × 0.15 |
| |
| Data collection |
| Diffractometer |
Rigaku Oxford Diffraction SuperNova, single source at offset/far, Eos |
| Absorption correction |
Multi-scan (CrysAlis PRO; Rigaku OD, 2015 ▸) |
|
T
min, T
max
|
0.623, 0.906 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
6056, 6056, 5802 |
|
R
int
|
0.037 |
| (sin θ/λ)max (Å−1) |
0.668 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.067, 0.157, 1.12 |
| No. of reflections |
6056 |
| No. of parameters |
377 |
| No. of restraints |
12 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
1.47, −0.58 |
