| Crystal data |
| Chemical formula |
[RhCl3(C3H9P)3]H2O |
[RhCl3(C3H9P)3]0.5CH4O |
|
M
r
|
455.49 |
453.50 |
| Crystal system, space group |
Monoclinic, C
c
|
Monoclinic, P21/n
|
| Temperature (K) |
298 |
298 |
|
a, b, c () |
15.8650(12), 9.0396(3), 14.8223(18) |
16.0993(16), 15.5910(9), 16.4152(14) |
| () |
120.820(7) |
115.084(13) |
|
V (3) |
1825.5(3) |
3731.7(5) |
|
Z
|
4 |
8 |
| Radiation type |
Mo K
|
Mo K
|
| (mm1) |
1.62 |
1.59 |
| Crystal size (mm) |
0.4 0.4 0.3 |
0.6 0.6 0.3 |
| |
| Data collection |
| Diffractometer |
Siemens P4 |
Siemens P4 |
| Absorption correction |
scan (North et al., 1968 ▸) |
scan (North et al., 1968 ▸) |
|
T
min, T
max
|
0.762, 0.974 |
0.807, 0.915 |
| No. of measured, independent and observed [I > 2(I)] reflections |
2034, 1784, 1763 |
5957, 4858, 4171 |
|
R
int
|
0.021 |
0.034 |
|
max () |
25.0 |
22.5 |
| (sin /)max (1) |
0.595 |
0.538 |
| |
| Refinement |
|
R[F
2 > 2(F
2)], wR(F
2), S
|
0.023, 0.059, 1.08 |
0.029, 0.071, 1.08 |
| No. of reflections |
1784 |
4858 |
| No. of parameters |
170 |
328 |
| No. of restraints |
5 |
0 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
H-atom parameters constrained |
|
max, min (e 3) |
0.47, 0.60 |
1.03, 0.41 |
| Absolute structure |
Classical Flack (1983 ▸) method preferred over Parsons because s.u. lower |
|
| Absolute structure parameter |
0.06(3) |
|
