| Crystal data |
| Chemical formula |
[Re(C5H10NO2)(CO)3(H2O)] |
|
M
r
|
404.39 |
| Crystal system, space group |
Orthorhombic, P212121
|
| Temperature (K) |
213 |
|
a, b, c (Å) |
7.1229 (5), 7.2913 (7), 22.6098 (18) |
|
V (Å3) |
1174.24 (17) |
|
Z
|
4 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
10.36 |
| Crystal size (mm) |
0.16 × 0.12 × 0.12 |
| |
| Data collection |
| Diffractometer |
Stoe Imaging plate diffraction system |
| Absorption correction |
Numerical (X-SHAPE and X-RED; Stoe, 2001 ▸) |
|
T
min, T
max
|
0.288, 0.370 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
10442, 2809, 2546 |
|
R
int
|
0.040 |
| (sin θ/λ)max (Å−1) |
0.660 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.022, 0.047, 0.99 |
| No. of reflections |
2809 |
| No. of parameters |
147 |
| H-atom treatment |
H-atom parameters constrained |
| Δρmax, Δρmin (e Å−3) |
1.68, −0.91 |
| Absolute structure |
Flack x determined using 990 quotients [(I
+)−(I
−)]/[(I
+)+(I
−)] (Parsons et al., 2013 ▸). |
| Absolute structure parameter |
−0.018 (10) |
