| Crystal data |
| Chemical formula |
[Cr(NCS)2(C10H24N4)]2[Cr2O7]·H2O |
|
M
r
|
971.00 |
| Crystal system, space group |
Monoclinic, C2/c
|
| Temperature (K) |
243 |
|
a, b, c (Å) |
16.044 (2), 16.221 (2), 15.041 (2) |
| β (°) |
93.335 (3) |
|
V (Å3) |
3907.8 (9) |
|
Z
|
4 |
| Radiation type |
Synchrotron, λ = 0.620 Å |
| μ (mm−1) |
0.92 |
| Crystal size (mm) |
0.04 × 0.03 × 0.02 |
| |
| Data collection |
| Diffractometer |
ADSC Q210 CCD area detector |
| Absorption correction |
Empirical (using intensity measurements) (HKL3000sm SCALEPACK; Otwinowski & Minor, 1997 ▸) |
|
T
min, T
max
|
0.799, 1.000 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
11326, 5767, 4156 |
|
R
int
|
0.018 |
| (sin θ/λ)max (Å−1) |
0.707 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.046, 0.148, 1.06 |
| No. of reflections |
5767 |
| No. of parameters |
244 |
| No. of restraints |
3 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
1.07, −0.73 |
