| Crystal system | Monoclinic |
|
| a = 10.8567 (11) Å alpha = 90.00 deg |
| Unit cell dimensions | b = 7.54798 (7) Å beta = 109.473 (1) deg |
|
| c = 16.0391 (16) Å gamma = 90.00 deg |
| Volume | 1239.1 (2) Å3 |
| Z, calculated density | 2, 1.518 mg/m3 |
| Absorption coefficient | 0.088 mm−1 |
| Space group | P21 |
| F (000) | 576 |
| Limiting indices | −13 ≤ h ≤ 13, −9 ≤ k ≤ 9, −19 ≤ l ≤ 19 |
| Reflections collected/unique | 10200/4525 [R (int) = 0.0228] |
| Completeness to theta = 25.10 | 99.9% |
| Max. and min. transmission | 0.6183 and 0.8990 |
| Data/restraints/parameters | 4519/1/301 |
| Final R indices [I > 2s (I)] | R1= 0.0306, wR2 = 0.0618 |
| R indices (all data) | R1= 0.0355, wR2 = 0.0638 |
| Absolute structure parameter | 0.009 (3) |
| Goodness-of-fit on F2 | 1.090 |
| Extinction coefficient | None |
| Largest diff. peak and hole | 0.327 and −0.262 e. Å−3 |