single-crystal X-ray diffraction; Bruker SMART APEX II; Mo Kalpha radiation; SHELX-97/SHELXL refinement
compound 1 violet block crystals · Single Crystal
single crystals; Mo Kalpha lambda = 0.71073 A; data integrated with SAINT and absorption corrected with SADABS
| Property | Reported value | Normalised value | Uncertainty | Origin and quality | Source |
|---|---|---|---|---|---|
| unit cell a | 13.3784(10) | — | (10) | SI Table Exact Reported | S10 · Table S1 · Table S1 |
| unit cell b | 13.4372(10) | — | (10) | SI Table Exact Reported | S10 · Table S1 · Table S1 |
| unit cell c | 22.8411(17) | — | (17) | SI Table Exact Reported | S11 · Table S1 · Table S1 |
| unit cell volume | 4008.6(5) | — | (5) | SI Table Exact Reported | S11 · Table S1 · Table S1 |
| crystal system | Triclinic | — | — | SI Table Qualitative | S10 · Table S1 · Table S1 |
| Cl...pi distance | 3.99 A | — | — | Text Rounded Reported | 6722 · Structural descriptions · Fig. S3 |
| space group | P-1 | — | — | SI Table Qualitative | S10 · Table S1 · Table S1 |