Table 1.  Crystal data and structure refinement for miah_11feb13_0m.
Identification code 	shelx
Empirical formula 	C16 H27 Ir N2
Formula weight 	439.59
Temperature 	100(2) K
Wavelength 	0.71073 Å
Crystal system 	Orthorhombic
Space group 	P b c a
Unit cell dimensions	a = 9.0683(7) Å	a= 90°.
	b = 14.3257(11) Å	b= 90°.
	c = 25.020(2) Å	g = 90°.
Volume	3250.3(4) Å3
Z	8
Density (calculated)	1.797 Mg/m3
Absorption coefficient	8.206 mm-1
F(000)	1712
Crystal size	0.300 x 0.080 x 0.050 mm3
Theta range for data collection	1.628 to 28.416°.
Index ranges	-12<=h<=12, -19<=k<=19, -33<=l<=33
Reflections collected	30168
Independent reflections	4081 [R(int) = 0.0408]
Completeness to theta = 25.000°	100.0 % 
Refinement method	Full-matrix least-squares on F2
Data / restraints / parameters	4081 / 0 / 180
Goodness-of-fit on F2	1.068
Final R indices [I>2sigma(I)]	R1 = 0.0204, wR2 = 0.0422
R indices (all data)	R1 = 0.0300, wR2 = 0.0442
Largest diff. peak and hole	0.882 and -0.971 e.Å-3

Table 2.  Atomic coordinates ( x 104) and equivalent isotropic displacement parameters (Å2x 103)
for miah_11feb13_0m.  U(eq) is defined as one third of the trace of the orthogonalized Uij tensor.
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	x	y	z	U(eq)
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C(1)	1662(3)	1325(2)	573(1)	19(1)
C(2)	2534(3)	1718(2)	996(1)	18(1)
C(3)	2198(3)	2685(2)	1026(1)	19(1)
C(4)	1098(3)	2889(2)	623(1)	18(1)
C(5)	798(3)	2037(2)	342(1)	19(1)
C(6)	3704(3)	1205(2)	1301(1)	27(1)
C(7)	2904(4)	3391(2)	1383(2)	29(1)
C(8)	521(4)	3832(2)	472(2)	32(1)
C(9)	-231(3)	1936(3)	-122(1)	30(1)
C(10)	-198(3)	837(2)	1700(1)	17(1)
C(11)	-931(3)	-540(2)	2062(1)	24(1)
C(12)	-66(3)	-123(2)	2424(1)	24(1)
C(13)	1406(3)	1342(2)	2464(1)	24(1)
C(14)	-1745(3)	-223(2)	1133(1)	26(1)
C(15)	-565(3)	2814(2)	1807(1)	22(1)
C(16)	-2143(3)	1942(2)	1025(1)	21(1)
N(1)	378(3)	713(2)	2200(1)	19(1)
N(2)	-1005(3)	36(2)	1623(1)	19(1)
Ir(1)	131(1)	1896(1)	1199(1)	13(1)
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Table 3.   Bond lengths [Å] and angles [°] for miah_11feb13_0m.
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C(1)-C(5) 	1.410(4)
C(1)-C(2) 	1.438(4)
C(1)-Ir(1) 	2.248(3)
C(1)-H(1) 	0.9500
C(2)-C(3) 	1.420(4)
C(2)-C(6) 	1.500(4)
C(2)-Ir(1) 	2.252(3)
C(3)-C(4) 	1.448(4)
C(3)-C(7) 	1.494(4)
C(3)-Ir(1) 	2.232(3)
C(4)-C(5) 	1.435(4)
C(4)-C(8) 	1.497(4)
C(4)-Ir(1) 	2.208(3)
C(5)-C(9) 	1.496(4)
C(5)-Ir(1) 	2.238(3)
C(6)-H(6A) 	0.9800
C(6)-H(6B) 	0.9800
C(6)-H(6C) 	0.9800
C(7)-H(7A) 	0.9800
C(7)-H(7B) 	0.9800
C(7)-H(7C) 	0.9800
C(8)-H(8A) 	0.9800
C(8)-H(8B) 	0.9800
C(8)-H(8C) 	0.9800
C(9)-H(9A) 	0.9800
C(9)-H(9B) 	0.9800
C(9)-H(9C) 	0.9800
C(10)-N(1) 	1.367(4)
C(10)-N(2) 	1.374(4)
C(10)-Ir(1) 	1.990(3)
C(11)-C(12) 	1.340(5)
C(11)-N(2) 	1.376(4)
C(11)-H(11) 	0.9500
C(12)-N(1) 	1.382(4)
C(12)-H(12) 	0.9500
C(13)-N(1) 	1.454(4)
C(13)-H(13A) 	0.9800
C(13)-H(13B) 	0.9800
C(13)-H(13C) 	0.9800
C(14)-N(2) 	1.447(4)
C(14)-H(14A) 	0.9800
C(14)-H(14B) 	0.9800
C(14)-H(14C) 	0.9800
C(15)-Ir(1) 	2.107(3)
C(15)-H(15A) 	0.9800
C(15)-H(15B) 	0.9800
C(15)-H(15C) 	0.9800
C(16)-Ir(1) 	2.109(3)
C(16)-H(16A) 	0.9800
C(16)-H(16B) 	0.9800
C(16)-H(16C) 	0.9800

C(5)-C(1)-C(2)	108.9(3)
C(5)-C(1)-Ir(1)	71.27(17)
C(2)-C(1)-Ir(1)	71.49(17)
C(5)-C(1)-H(1)	125.6
C(2)-C(1)-H(1)	125.6
Ir(1)-C(1)-H(1)	123.3
C(3)-C(2)-C(1)	107.6(3)
C(3)-C(2)-C(6)	127.1(3)
C(1)-C(2)-C(6)	124.9(3)
C(3)-C(2)-Ir(1)	70.77(16)
C(1)-C(2)-Ir(1)	71.25(16)
C(6)-C(2)-Ir(1)	128.7(2)
C(2)-C(3)-C(4)	108.0(3)
C(2)-C(3)-C(7)	126.8(3)
C(4)-C(3)-C(7)	125.1(3)
C(2)-C(3)-Ir(1)	72.31(16)
C(4)-C(3)-Ir(1)	70.08(15)
C(7)-C(3)-Ir(1)	125.9(2)
C(5)-C(4)-C(3)	107.4(3)
C(5)-C(4)-C(8)	125.3(3)
C(3)-C(4)-C(8)	126.8(3)
C(5)-C(4)-Ir(1)	72.30(17)
C(3)-C(4)-Ir(1)	71.86(17)
C(8)-C(4)-Ir(1)	127.5(2)
C(1)-C(5)-C(4)	108.1(3)
C(1)-C(5)-C(9)	126.4(3)
C(4)-C(5)-C(9)	125.5(3)
C(1)-C(5)-Ir(1)	72.09(18)
C(4)-C(5)-Ir(1)	70.04(17)
C(9)-C(5)-Ir(1)	124.5(2)
C(2)-C(6)-H(6A)	109.5
C(2)-C(6)-H(6B)	109.5
H(6A)-C(6)-H(6B)	109.5
C(2)-C(6)-H(6C)	109.5
H(6A)-C(6)-H(6C)	109.5
H(6B)-C(6)-H(6C)	109.5
C(3)-C(7)-H(7A)	109.5
C(3)-C(7)-H(7B)	109.5
H(7A)-C(7)-H(7B)	109.5
C(3)-C(7)-H(7C)	109.5
H(7A)-C(7)-H(7C)	109.5
H(7B)-C(7)-H(7C)	109.5
C(4)-C(8)-H(8A)	109.5
C(4)-C(8)-H(8B)	109.5
H(8A)-C(8)-H(8B)	109.5
C(4)-C(8)-H(8C)	109.5
H(8A)-C(8)-H(8C)	109.5
H(8B)-C(8)-H(8C)	109.5
C(5)-C(9)-H(9A)	109.5
C(5)-C(9)-H(9B)	109.5
H(9A)-C(9)-H(9B)	109.5
C(5)-C(9)-H(9C)	109.5
H(9A)-C(9)-H(9C)	109.5
H(9B)-C(9)-H(9C)	109.5
N(1)-C(10)-N(2)	103.0(2)
N(1)-C(10)-Ir(1)	128.2(2)
N(2)-C(10)-Ir(1)	128.8(2)
C(12)-C(11)-N(2)	107.5(3)
C(12)-C(11)-H(11)	126.3
N(2)-C(11)-H(11)	126.3
C(11)-C(12)-N(1)	106.5(3)
C(11)-C(12)-H(12)	126.8
N(1)-C(12)-H(12)	126.8
N(1)-C(13)-H(13A)	109.5
N(1)-C(13)-H(13B)	109.5
H(13A)-C(13)-H(13B)	109.5
N(1)-C(13)-H(13C)	109.5
H(13A)-C(13)-H(13C)	109.5
H(13B)-C(13)-H(13C)	109.5
N(2)-C(14)-H(14A)	109.5
N(2)-C(14)-H(14B)	109.5
H(14A)-C(14)-H(14B)	109.5
N(2)-C(14)-H(14C)	109.5
H(14A)-C(14)-H(14C)	109.5
H(14B)-C(14)-H(14C)	109.5
Ir(1)-C(15)-H(15A)	109.5
Ir(1)-C(15)-H(15B)	109.5
H(15A)-C(15)-H(15B)	109.5
Ir(1)-C(15)-H(15C)	109.5
H(15A)-C(15)-H(15C)	109.5
H(15B)-C(15)-H(15C)	109.5
Ir(1)-C(16)-H(16A)	109.5
Ir(1)-C(16)-H(16B)	109.5
H(16A)-C(16)-H(16B)	109.5
Ir(1)-C(16)-H(16C)	109.5
H(16A)-C(16)-H(16C)	109.5
H(16B)-C(16)-H(16C)	109.5
C(10)-N(1)-C(12)	111.8(3)
C(10)-N(1)-C(13)	125.4(3)
C(12)-N(1)-C(13)	122.7(3)
C(10)-N(2)-C(11)	111.3(3)
C(10)-N(2)-C(14)	125.5(3)
C(11)-N(2)-C(14)	123.0(3)
C(10)-Ir(1)-C(15)	88.66(12)
C(10)-Ir(1)-C(16)	90.47(12)
C(15)-Ir(1)-C(16)	80.63(12)
C(10)-Ir(1)-C(4)	164.21(11)
C(15)-Ir(1)-C(4)	100.79(12)
C(16)-Ir(1)-C(4)	103.44(12)
C(10)-Ir(1)-C(3)	129.38(11)
C(15)-Ir(1)-C(3)	94.32(12)
C(16)-Ir(1)-C(3)	139.89(12)
C(4)-Ir(1)-C(3)	38.06(11)
C(10)-Ir(1)-C(5)	135.51(11)
C(15)-Ir(1)-C(5)	135.71(12)
C(16)-Ir(1)-C(5)	93.59(11)
C(4)-Ir(1)-C(5)	37.66(11)
C(3)-Ir(1)-C(5)	62.65(11)
C(10)-Ir(1)-C(1)	104.75(11)
C(15)-Ir(1)-C(1)	156.23(11)
C(16)-Ir(1)-C(1)	118.07(12)
C(4)-Ir(1)-C(1)	62.22(11)
C(3)-Ir(1)-C(1)	61.97(11)
C(5)-Ir(1)-C(1)	36.64(11)
C(10)-Ir(1)-C(2)	101.60(11)
C(15)-Ir(1)-C(2)	121.53(12)
C(16)-Ir(1)-C(2)	154.54(13)
C(4)-Ir(1)-C(2)	62.69(11)
C(3)-Ir(1)-C(2)	36.92(11)
C(5)-Ir(1)-C(2)	62.13(11)
C(1)-Ir(1)-C(2)	37.27(11)
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Symmetry transformations used to generate equivalent atoms: 

Table 4.   Anisotropic displacement parameters (Å2x 103)for miah_11feb13_0m.  The anisotropic
displacement factor exponent takes the form: -2p2[ h2a*2U11 + ... + 2 h k a* b* U12 ]
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	U11	U22	U33	U23	U13	U12
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C(1)	16(1) 	20(2)	22(2) 	-3(1)	6(1) 	-2(1)
C(2)	13(1) 	21(2)	20(2) 	3(1)	2(1) 	-2(1)
C(3)	16(1) 	22(2)	18(2) 	0(1)	2(1) 	-6(1)
C(4)	18(1) 	16(2)	21(2) 	3(1)	5(1) 	-1(1)
C(5)	15(1) 	26(2)	15(2) 	-2(1)	4(1) 	-2(1)
C(6)	17(1) 	35(2)	29(2) 	4(2)	1(1) 	4(1)
C(7)	27(2) 	27(2)	34(2) 	-5(2)	3(2) 	-12(1)
C(8)	35(2) 	26(2)	34(2) 	10(2)	7(2) 	4(2)
C(9)	25(2) 	49(2)	14(2) 	-1(2)	-2(1) 	-3(2)
C(10)	14(1) 	16(1)	19(2) 	0(1)	3(1) 	2(1)
C(11)	29(2) 	13(2)	30(2) 	5(1)	8(1) 	0(1)
C(12)	27(2) 	23(2)	23(2) 	9(1)	6(1) 	3(1)
C(13)	21(2) 	30(2)	20(2) 	0(1)	-5(1) 	1(1)
C(14)	28(2) 	21(2)	30(2) 	-7(2)	-1(1) 	-7(1)
C(15)	24(2) 	15(1)	26(2) 	-2(1)	1(1) 	2(1)
C(16)	16(1) 	27(2)	20(2) 	3(1)	-2(1) 	0(1)
N(1)	18(1) 	19(1)	20(1) 	4(1)	-1(1) 	1(1)
N(2)	17(1) 	16(1)	23(2) 	1(1)	2(1) 	0(1)
Ir(1)	12(1) 	13(1)	14(1) 	0(1)	0(1) 	0(1)
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Table 5.   Hydrogen coordinates ( x 104) and isotropic displacement parameters (Å2x 103)
for miah_11feb13_0m.
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	x 	y 	z 	U(eq)
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H(1)	1667	689	465	23
H(6A)	4601	1166	1084	41
H(6B)	3356	575	1386	41
H(6C)	3920	1541	1634	41
H(7A)	3453	3071	1666	44
H(7B)	2140	3786	1543	44
H(7C)	3581	3779	1174	44
H(8A)	1212	4133	225	48
H(8B)	415	4217	793	48
H(8C)	-441	3764	298	48
H(9A)	252	2163	-447	44
H(9B)	-1126	2302	-56	44
H(9C)	-494	1277	-166	44
H(11)	-1407	-1127	2101	29
H(12)	192	-356	2767	29
H(13A)	1793	1790	2203	35
H(13B)	2223	981	2615	35
H(13C)	896	1679	2750	35
H(14A)	-2788	-50	1156	40
H(14B)	-1661	-899	1079	40
H(14C)	-1287	103	831	40
H(15A)	-1275	2496	2039	33
H(15B)	-1032	3363	1646	33
H(15C)	290	3012	2019	33
H(16A)	-2335	1597	694	31
H(16B)	-2452	2593	980	31
H(16C)	-2698	1658	1319	31
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