3. Relevant Bond Lengths (Å) and Bond Angles (°) for 1 _D , 2, 2 _D, and 3 .

	1D	2	2D	3
Ir–Cp*	1.802	1.770	1.797	1.794
Ir–N1	2.109	2.110	2.119	2.085
Ir–N2	2.085	2.057	2.081	2.071
Ir–N3	2.156		2.147
N2–N3	1.435		1.440
Ir–Cl		2.402		2.411
Cp*–Ir–N1	126.16	136.18	126.14	133.74
Cp*–Ir–N2	132.17	136.74	131.25	132.10
Cp*–Ir–N3	131.21		131.42
Cp*–Ir–Cl		119.87		125.53
N1–Ir–N2	75.34	75.75	75.23	76.22
N2–Ir–N3	81.92		82.87
Ir–N2–N3	127.69	124.12	127.16
Ir–N3–N2	113.02		122.36