| Crystal data |
| Chemical formula |
C25H25N9O9·C16H36N+·H2PO4
−
|
|
M
r
|
934.98 |
| Crystal system, space group |
Triclinic, P
|
| Temperature (K) |
179 |
|
a, b, c (Å) |
15.2043 (3), 17.4555 (5), 18.1232 (4) |
| α, β, γ (°) |
83.797 (2), 79.818 (2), 89.191 (2) |
|
V (Å3) |
4706.3 (2) |
|
Z
|
4 |
| Radiation type |
Cu Kα |
| μ (mm−1) |
1.13 |
| Crystal size (mm) |
0.40 × 0.40 × 0.10 |
| |
| Data collection |
| Diffractometer |
Agilent New Gemini, Dual, Cu at zero, EosS2 |
| Absorption correction |
Multi-scan (CrysAlis PRO; Agilent, 2014 ▸) |
|
T
min, T
max
|
0.660, 0.880 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
50539, 18359, 15323 |
|
R
int
|
0.040 |
| (sin θ/λ)max (Å−1) |
0.619 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.065, 0.160, 1.01 |
| No. of reflections |
18359 |
| No. of parameters |
1237 |
| No. of restraints |
26 |
| H-atom treatment |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.96, −0.85 |
