Table 2. Bond Distances and Fold Angles of [MoO(mnt)₂]^2– Complexes Determined by Crystallography,^a and Calculated Distances and Fold Angles (Bottom Two Rows).

	distance (Å)
CSD ref codea	Mo=O	Mo–S1	Mo–S2	Mo–S3	Mo–S4	S1–C1	S2–C3	S3–C5	S4–C7	C1=C3	C5=C7	fold angle (deg)
HOGLIY	1.67	2.393	2.386	2.378	2.389	1.78	1.72	1.73	1.75	1.343	1.345	11.53, 12.74
HOGLIYO1	1.674	2.370	2.392	2.417	2.379	1.77	1.69	1.76	1.71	1.374	1.435	12.00, 11.91
BAYNOFb	1.714	2.373	2.376	2.373	2.377	1.753	1.742	1.760	1.750	1.343	1.354	17.34, 12.12
ZOMJOA	1.669	2.380	2.381	2.384	2.375	1.77	1.72	1.76	1.75	1.352	1.350	13.24, 10.84
ZOMJUG	1.71	2.38	2.38	2.38	2.38	1.758	1.744	1.76	1.74	1.366	1.366	12.97, 12.97
ZOMKANa	1.697	2.379	2.381	2.380	2.383	1.754	1.747	1.746	1.746	1.348	1.349	11.45, 12.59
ZOMKANb	1.692	2.389	2.383	2.382	2.381	1.763	1.757	1.756	1.732	1.343	1.349	12.39, 10.36
[MoO(mnt)2]−	1.694	2.425	2.425	2.436	2.436	1.767	1.767	1.758	1.758	1.374	1.372	29.88, 6.6
[MoO(mnt)2]2–	1.701	2.443	2.443	2.443	2.443	1.776	1.776	1.776	1.776	1.374	1.374	12.84, 12.86

^aFrom the Cambridge Structural Database on May 5, 2014.

^bTerminal oxo group is hydrogen bonded to a pyridinium group.