| Crystal data |
| Chemical formula |
C26H32O3P+·Cl−·H2O |
|
M
r
|
476.95 |
| Crystal system, space group |
Triclinic, P
|
| Temperature (K) |
100 |
|
a, b, c (Å) |
9.6920 (6), 10.2790 (6), 12.4154 (8) |
| α, β, γ (°) |
96.836 (2), 98.481 (2), 94.188 (2) |
|
V (Å3) |
1209.47 (13) |
|
Z
|
2 |
| Radiation type |
Mo Kα |
| μ (mm−1) |
0.25 |
| Crystal size (mm) |
0.22 × 0.15 × 0.14 |
| |
| Data collection |
| Diffractometer |
Bruker D8 Venture PHOTON 100 CMOS |
| Absorption correction |
Numerical (SADABS; Bruker, 2014 ▸) |
|
T
min, T
max
|
0.959, 0.987 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
33225, 6228, 5241 |
|
R
int
|
0.028 |
| (sin θ/λ)max (Å−1) |
0.677 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.038, 0.096, 1.04 |
| No. of reflections |
6228 |
| No. of parameters |
339 |
| No. of restraints |
2 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.51, −0.18 |
