Table 2. Selected Bond Lengths (Å) and Angles (deg) (experimental and calculated) for Compounds cis-(Bu₄N)[MCl₄(NO)(Hind)] (M = Ru (1), Os (3)) and trans-(Bu₄N)[MCl₄(NO)(Hind)] (M = Ru (2), Os (4)).

	X-ray				B3LYP/6-31G*
bond	1a	2	3a	4	1	2	3	4
M–N1	2.092(4)	2.104(2)	2.080(4)	2.114(3)	2.151	2.204	2.161	2.182
M–Cleq(av)	2.350(19)	2.360(3)	2.373(9)	2.368(3)	2.469	2.451	2.406	2.438
M–Clax	2.3675(13)		2.3728(11)		2.405		2.390
M–N3	1.784(5)	1.717(2)	1.8220(9)	1.763(3)	1.747	1.735	1.732	1.715
N3–O1	1.041(6)	1.144(3)	1.1346(12)	1.133(4)	1.171	1.167	1.161	1.157
M–N3–O1	176.1(5)	178.2(2)	176.4(4)	178.0(4)	178.7	179.7	179.5	179.8

^aQuoted parameters refer to crystallographically independent complex anions not affected by the disorder.