| Crystal data |
| Chemical formula |
[Cr(C5H11NO2)Cu(C5H12NO2)(NCS)2(H2O)] |
|
M
r
|
485.02 |
| Crystal system, space group |
Monoclinic, P21/c
|
| Temperature (K) |
294 |
|
a, b, c () |
10.570(3), 14.543(4), 13.940(3) |
| () |
105.571(3) |
|
V (3) |
2064.2(9) |
|
Z
|
4 |
| Radiation type |
Mo K
|
| (mm1) |
1.79 |
| Crystal size (mm) |
0.50 0.30 0.20 |
| |
| Data collection |
| Diffractometer |
Agilent Xcalibur, Sapphire3 |
| Absorption correction |
Multi-scan (CrysAlis RED; Agilent, 2011 ▸) |
|
T
min, T
max
|
0.829, 1.000 |
| No. of measured, independent and observed [I > 2(I)] reflections |
3596, 3596, 3173 |
|
R
int
|
0.038 |
| (sin /)max (1) |
0.596 |
| |
| Refinement |
|
R[F
2 > 2(F
2)], wR(F
2), S
|
0.057, 0.150, 1.06 |
| No. of reflections |
3596 |
| No. of parameters |
257 |
| No. of restraints |
10 |
| H-atom treatment |
H-atom parameters constrained |
|
max, min (e 3) |
0.55, 0.85 |
