Table 3. Refined occupancy values obtained using SHELX (Sheldrick, 2008 ▶) of the Pt atom centre at each binding site refined separately as well as the occupancies of the remaining bound ligand atoms at each binding site; these occupancies were obtained with SHELX having both ligands being considered in the refinement simultaneously.
N binding site | N binding site | |||||
---|---|---|---|---|---|---|
Pt | 2Cl/1N | Carbopt moiety† | Pt | 2Cl‡ | Carbopt moiety† | |
4dd7_EVAL | 75 | 48 | 22 | 55 | 26 | 24 |
XDS | 65 | 29 | 41 | 55 | 10 | 40 |
4dd9_EVAL | 70 | 62 | 8 | 48 | 3 | 47 |
XDS | 65 | 41 | 29 | 46 | 28 | 22 |
4g4c_EVAL | 83 | 38 | 32 | 48 | 7 | 43 |
XDS | 80 | 33 | 37 | 49 | 8 | 42 |
See Fig. 2 ▶.
The N binding site only contains two atoms bound to the Pt centre, unlike the N binding site where three atoms are seen bound to the Pt centre.