Iridium cyclometalated κ²-C,N-chelate families

C^N = κ²-C,N cyclometalated chelate (denticity 2, donors C + N — e.g. 2-phenylpyridyl, ppy⁻); N^N = κ²-N,N chelate (denticity 2, donors N + N — e.g. bipyridine). Ligand chemistry comes from the pydentate oracle (see the ligand library).

Charge. Ir is +3; each cyclometalated C^N is −1, each neutral N^N is 0, so [Ir(C^N)₂(N^N)] is monocationic and [Ir(C^N)₃] is neutral (unless the N^N is anionic). Counterions and coordinated solvent are ignored; the remaining coordination sphere matches the family pattern exactly.

3D. Structures are the reconstructed geometries (Architector + GFN2-xTB) served from /viewer/full/struct/. The metal is drawn sphere-only (coordination bonds are in the SDF but not drawn on screen); bonds come from the explicit SDF bond block. Regenerate with scripts/build_ir_cn_families.py.

Stereoisomers. The viewer beside the original reconstruction is generated by the validated hybrid pipeline: T-REX enumerates every donor-to-site MAP (including three-bidentate and Δ/Λ or @/@@ pairs), molSimplify 2.0 manual mode realizes each diastereomer with voxel anti-clash and ring-piercing repair, and GFN2-xTB relaxes the result with Ir and its six donor atoms fixed. The full T-REX record shown below the viewer is the isomer name and authoritative topology.