Iodidomesityltellurium(II) iodido­trimesitylditellurium(II)(Te—Te)

In the title compound, C₉H₁₁ITe·C₂₇H₃₃ITe₂ or (Mes)TeI·(Mes₂Te)TeI(Mes) (Mes is mesityl or 2,4,6-trimethyl­phen­yl), a strong Te...I inter­action of 3.3157 (9) Å links the Te atom of an iodidomesityltellurium(II) moiety, (Mes)TeI, and an I atom of the iodidotrimesitylditellurium(II) unit, (Mes₂Te)TeI(Mes). Further weak Te...I contacts of 4.0818 (9) Å give rise to one-dimensional chains along the b axis in the crystal structure. An intra­molecular C—H...π(arene) inter­action is present in the (TeMes₂)TeI(Mes) moiety, with a C...Cg distance of 3.497 (9) Å and a C—H...Cg angle of 142° (where Cg is the centroid of a mesityl ring of the Mes₂Te moiety).

S1. Comment

Organyltellurenyl halides (RTeHal, where Hal is Cl, Br or I) are recognized as very unstable compounds which can easily undergo dismutation and disproportionation reactions. Stabilization of these species can be achieved by introducing either bulky substituents at the R moiety or additional coordinating donor groups in the system. In this way, several 2,4,6-R'₃C₆H₂TeHal systems have been synthesized and structurally characterized, as well as donor-stabilized organyltellurenyl halides (Lang et al., 2006; de Oliveira et al., 2006; Du Mont et al., 1988; Klapötke et al., 2005; Beckmann & Hesse, 2007; Beckmann et al., 2007). On reacting bis(2,4,6-trimethylphenyl)ditellane (MesTe)₂ with one equivalent of I₂ in CH₂Cl₂, followed by removal of the solvent in vacuo and recrystallization from n-hexane, we obtained single crystals of the title compound, (Mes)TeI[(Mes₂Te)TeI(Mes)], (I) (where Mes is 2,4,6-trimethylphenyl) (Fig. 1).

The asymmetric unit of (I) features a pseudo-halide mesityltellurenyl monoiodide (MesTeI) and a (dimesityltelluride)(iodo)(mesityl)tellurium(II) [(Mes)ITe(TeMes₂)] moiety linked by a `soft–soft' Te3···I1ⁱ charge-transfer interaction of 3.3157 (9) Å [symmetry code: (i) -x, -1/2 + y, 1/2 - z] (Table 1). In the (Mes)TeI fragment, the I atom is almost perpendicular to the plane containing the aromatic ring and the Te atom [C28—Te2—I2 = 94.5 (2)°], as also observed in 2,4,6-^tBu₃C₆H₂TeBr [93.61 (5)°; Beckmann & Hesse, 2007], 2,4,6-^tBu₃C₆H₂TeCl [93.40 (9)°; Beckmann et al., 2007] and 2,4,6-^tBu₃C₆H₂TeI [95.75 (8)°; Klapötke et al., 2005]. According to Ledesma et al. (2004), the (Mes)ITe(TeMes₂) moiety can be considered as formed by an (Mes)TeI unit stabilized by a dimesityltelluride ligand (Mes₂Te) via a Te1—Te2 secondary soft–soft interaction of 3.0609 (8) Å. The three-centre Te1—Te2—I1 system is approximately linear [171.90 (3)°], thus suggesting the occurrence of a charge transfer from Mes₂Te to (Mes)TeI, which could explain the longer Te2—I1 distance [2.9621 (9) Å] compared with Te3—I2 [2.7840 (10) Å]. The geometry about atom Te2 can be considered as a distorted T shape, whereas the coordination geometry around atom Te2 [Same atom as in previous clause - please check] can be described as a distorted tetrahedron with a vacant coordination site (Ledesma et al., 2004).

An intramolecular C—H···π(arene) interaction is present in the [(Mes₂Te)TeI(Mes)] moiety, with a C7···Cg1 distance of 3.497 (9) Å and a C7—H7A···Cg1 angle of 142° (where Cg1 is the centroid of the C10–C15 mesityl ring) (Table 2), together with a reciprocal C18···Cg2 interaction, with an interplanar Cg1···Cg2 separation of 3.39 Å (Cg2 is the centroid of the C1–C6 ring).

A further soft–soft weak Te1···I2ⁱⁱ interaction of 4.0818 (9) Å [symmetry code: (ii) -1 + x, y, z] gives rise to zigzag polymers which run along the b axis in the crystal structure (Fig. 2). Overall, compound (I) can be described as mesityltellurenyl monoiodide (MesTeI) units bridging the (dimesityltelluride)(iodo)(mesityl)tellurium(II) [(Mes)ITe(TeMes₂)] units in a head-to-tail fashion via Te···I soft–soft interactions.

Related literature

For related literature, see: Beckmann & Hesse (2007); Beckmann, Heitz & Hesse (2007); Du Mont, Lange, Karsch, Peters, Peters & von Schnering (1988); Klapötke et al. (2005); Lang et al. (2006); Ledesma et al. (2004); Oliveira et al. (2006).

S2. Experimental

Bis(2,4,6-trimethylphenyl)ditellane (MesTe)₂ (0.184 mmol) and iodine (0.184 mmol) were dissolved in dichloromethane (15 ml) (Du Mont et al., 1988). After stirring for 30 min, the green solution was evaporated in vacuo. Recrystallization from n-hexane yielded dark-red needles of the title compound, (I).

S3. Refinement

All H atoms were placed in calculated positions using a riding model, with C—H = 0.93–0.97 Å and with U_iso(H) = 1.5U_eq(C) for methyl H or 1.2U_eq(C) for aryl H. The methyl groups were allowed to rotate but not to tip.

Computing details

Data collection: SMART (Bruker, 2000); cell refinement: SMART; data reduction: SAINT-Plus (Bruker, 2000); program(s) used to solve structure: SHELXTL (Bruker, 2001); program(s) used to refine structure: SHELXTL (Bruker, 2001); molecular graphics: ORTEP-3 (Farrugia, 1997), DIAMOND (Brandenburg, 2006) and PLATON (Spek, 2003); software used to prepare material for publication: publCIF (Westrip, 2007).

Figures

	Fig. 1. A view of compound (I), showing the atom-numbering scheme, with atoms represented by 30% probability displacement ellipsoids. H atoms are shown as small spheres of arbitrary radii.
	Fig. 2. A view of the one-dimensional supramolecular motif, showing the Te···I interactions (indicated as dotted lines). H atoms have been omitted for clarity.

Iodidomesityltellurium(II) iodidotrimesitylditellurium(II)(Te—Te)

Crystal data

C9H11ITe·C27H33ITe2	F(000) = 2088
Mr = 1113.31	Dx = 1.935 Mg m^−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 4388 reflections
a = 8.1491 (5) Å	θ = 2.4–21.3°
b = 15.9071 (10) Å	µ = 3.91 mm^−1
c = 29.495 (2) Å	T = 297 K
β = 91.379 (1)°	Block, red
V = 3822.3 (4) Å^3	0.28 × 0.22 × 0.19 mm
Z = 4

Data collection

Bruker SMART CCD area-detector diffractometer	6720 independent reflections
Radiation source: fine-focus sealed tube	5651 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.056
ϕ and ω scans	θmax = 25.0°, θmin = 1.9°
Absorption correction: multi-scan (SHELXTL; Bruker, 2001)	h = −9→9
Tmin = 0.37, Tmax = 0.476	k = −18→18
27296 measured reflections	l = −35→35

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.060	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.127	H-atom parameters constrained
S = 1.23	w = 1/[σ^2(Fo^2) + (0.0453P)^2 + 3.8886P] where P = (Fo^2 + 2Fc^2)/3
6720 reflections	(Δ/σ)max = 0.001
382 parameters	Δρmax = 1.24 e Å^−3
0 restraints	Δρmin = −0.57 e Å^−3

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
C1	−0.0850 (9)	0.6454 (5)	0.2624 (3)	0.0349 (17)
C2	−0.0300 (9)	0.7280 (5)	0.2602 (2)	0.0334 (17)
C3	−0.1479 (9)	0.7911 (5)	0.2573 (3)	0.0409 (19)
H3	−0.1125	0.8465	0.2550	0.049*
C4	−0.3141 (10)	0.7759 (5)	0.2575 (3)	0.0408 (19)
C5	−0.3624 (9)	0.6930 (5)	0.2606 (3)	0.042 (2)
H5	−0.4738	0.6809	0.2617	0.050*
C6	−0.2503 (10)	0.6266 (5)	0.2621 (3)	0.0415 (19)
C7	0.1483 (9)	0.7545 (5)	0.2592 (3)	0.047 (2)
H7A	0.2058	0.7326	0.2854	0.071*
H7B	0.1551	0.8148	0.2593	0.071*
H7C	0.1971	0.7331	0.2323	0.071*
C8	−0.4375 (11)	0.8453 (6)	0.2543 (3)	0.066 (3)
H8A	−0.3856	0.8976	0.2622	0.099*
H8B	−0.5248	0.8343	0.2747	0.099*
H8C	−0.4812	0.8485	0.2238	0.099*
C9	−0.3177 (11)	0.5385 (5)	0.2627 (3)	0.060 (3)
H9A	−0.2711	0.5064	0.2387	0.091*
H9B	−0.4349	0.5403	0.2586	0.091*
H9C	−0.2902	0.5126	0.2913	0.091*
C10	0.1641 (10)	0.6859 (5)	0.3739 (3)	0.0398 (19)
C11	0.3338 (10)	0.6817 (5)	0.3700 (3)	0.0414 (19)
C12	0.4182 (11)	0.7580 (6)	0.3712 (3)	0.054 (2)
H12	0.5318	0.7567	0.3687	0.065*
C13	0.3441 (12)	0.8350 (6)	0.3758 (3)	0.052 (2)
C14	0.1746 (11)	0.8352 (5)	0.3794 (3)	0.051 (2)
H14	0.1215	0.8866	0.3822	0.061*
C15	0.0807 (11)	0.7628 (5)	0.3788 (3)	0.048 (2)
C16	0.4285 (10)	0.6015 (6)	0.3643 (3)	0.055 (2)
H16A	0.4176	0.5672	0.3909	0.083*
H16B	0.5422	0.6143	0.3602	0.083*
H16C	0.3861	0.5717	0.3383	0.083*
C17	0.4385 (14)	0.9156 (6)	0.3744 (4)	0.081 (3)
H17A	0.5539	0.9039	0.3771	0.121*
H17B	0.4068	0.9511	0.3991	0.121*
H17C	0.4154	0.9437	0.3462	0.121*
C18	−0.1031 (10)	0.7702 (6)	0.3821 (3)	0.063 (3)
H18A	−0.1330	0.8284	0.3842	0.094*
H18B	−0.1385	0.7410	0.4087	0.094*
H18C	−0.1548	0.7458	0.3556	0.094*
C19	0.1428 (10)	0.4984 (5)	0.4170 (3)	0.044 (2)
C20	0.1902 (10)	0.4168 (5)	0.4053 (3)	0.045 (2)
C21	0.2679 (11)	0.3681 (5)	0.4379 (3)	0.056 (2)
H21	0.2971	0.3133	0.4306	0.067*
C22	0.3041 (11)	0.3971 (6)	0.4810 (3)	0.056 (2)
C23	0.2550 (12)	0.4780 (6)	0.4910 (3)	0.061 (3)
H23	0.2795	0.4991	0.5198	0.073*
C24	0.1711 (10)	0.5291 (5)	0.4604 (3)	0.045 (2)
C25	0.1649 (13)	0.3806 (6)	0.3579 (3)	0.066 (3)
H25A	0.1658	0.3203	0.3595	0.099*
H25B	0.2516	0.3993	0.3389	0.099*
H25C	0.0612	0.3992	0.3455	0.099*
C26	0.3927 (14)	0.3445 (7)	0.5160 (4)	0.086 (4)
H26A	0.4166	0.3780	0.5424	0.130*
H26B	0.4933	0.3240	0.5038	0.130*
H26C	0.3248	0.2978	0.5241	0.130*
C27	0.1153 (12)	0.6153 (5)	0.4758 (3)	0.061 (3)
H27A	0.1842	0.6576	0.4630	0.092*
H27B	0.1227	0.6184	0.5083	0.092*
H27C	0.0037	0.6244	0.4658	0.092*
C28	0.6069 (13)	0.1674 (5)	0.4137 (3)	0.056 (3)
C29	0.6593 (13)	0.1556 (6)	0.4584 (3)	0.060 (3)
C30	0.5445 (17)	0.1264 (7)	0.4899 (4)	0.078 (3)
H30	0.5774	0.1178	0.5199	0.094*
C31	0.3851 (16)	0.1107 (7)	0.4766 (4)	0.079 (3)
C32	0.3402 (15)	0.1204 (6)	0.4321 (4)	0.078 (3)
H32	0.2332	0.1070	0.4231	0.094*
C33	0.4453 (13)	0.1491 (6)	0.4001 (3)	0.059 (2)
C34	0.8311 (15)	0.1711 (8)	0.4752 (4)	0.097 (4)
H34A	0.8996	0.1248	0.4666	0.145*
H34B	0.8327	0.1763	0.5076	0.145*
H34C	0.8715	0.2220	0.4620	0.145*
C35	0.2617 (18)	0.0795 (9)	0.5112 (5)	0.132 (6)
H35A	0.2027	0.1265	0.5231	0.198*
H35B	0.3191	0.0510	0.5355	0.198*
H35C	0.1858	0.0414	0.4966	0.198*
C36	0.3834 (14)	0.1583 (7)	0.3522 (4)	0.087 (4)
H36A	0.4362	0.1177	0.3334	0.131*
H36B	0.4074	0.2139	0.3415	0.131*
H36C	0.2669	0.1494	0.3509	0.131*
I1	0.11870 (9)	0.53115 (4)	0.16920 (2)	0.0665 (2)
I2	0.68432 (9)	0.38572 (4)	0.38483 (3)	0.0718 (2)
Te1	0.01478 (6)	0.57559 (3)	0.368736 (19)	0.04250 (17)
Te2	0.08927 (7)	0.54597 (3)	0.26878 (2)	0.04545 (17)
Te3	0.77076 (9)	0.22009 (4)	0.36642 (2)	0.0687 (2)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
C1	0.035 (4)	0.030 (4)	0.039 (5)	0.004 (3)	−0.002 (3)	0.004 (3)
C2	0.033 (4)	0.035 (4)	0.032 (4)	−0.004 (3)	0.004 (3)	0.004 (3)
C3	0.048 (5)	0.032 (4)	0.043 (5)	−0.003 (4)	0.006 (4)	0.000 (4)
C4	0.044 (5)	0.033 (5)	0.046 (5)	0.004 (4)	0.001 (4)	0.004 (4)
C5	0.028 (4)	0.046 (5)	0.052 (5)	−0.006 (4)	0.003 (4)	0.007 (4)
C6	0.043 (5)	0.038 (5)	0.043 (5)	−0.005 (4)	−0.001 (4)	−0.003 (4)
C7	0.043 (5)	0.042 (5)	0.058 (6)	−0.004 (4)	0.005 (4)	0.008 (4)
C8	0.061 (6)	0.060 (7)	0.077 (7)	0.018 (5)	0.010 (5)	0.008 (5)
C9	0.062 (6)	0.041 (5)	0.079 (7)	−0.018 (4)	0.006 (5)	−0.001 (5)
C10	0.049 (5)	0.029 (4)	0.042 (5)	0.004 (4)	0.000 (4)	−0.003 (4)
C11	0.043 (5)	0.038 (5)	0.043 (5)	0.004 (4)	0.004 (4)	0.003 (4)
C12	0.048 (5)	0.059 (6)	0.055 (6)	0.004 (5)	−0.002 (4)	0.002 (5)
C13	0.063 (6)	0.043 (5)	0.051 (6)	−0.007 (5)	0.006 (4)	−0.001 (4)
C14	0.071 (6)	0.033 (5)	0.050 (6)	0.012 (4)	0.005 (5)	0.001 (4)
C15	0.055 (5)	0.042 (5)	0.047 (5)	0.004 (4)	0.005 (4)	0.004 (4)
C16	0.041 (5)	0.061 (6)	0.064 (6)	0.014 (4)	0.008 (4)	0.001 (5)
C17	0.108 (9)	0.046 (6)	0.088 (8)	−0.027 (6)	0.005 (7)	−0.007 (6)
C18	0.052 (6)	0.045 (6)	0.092 (8)	0.016 (4)	0.017 (5)	0.003 (5)
C19	0.048 (5)	0.035 (5)	0.048 (5)	0.000 (4)	0.002 (4)	0.010 (4)
C20	0.055 (5)	0.031 (5)	0.051 (5)	0.006 (4)	0.011 (4)	0.007 (4)
C21	0.069 (6)	0.031 (5)	0.069 (7)	0.010 (4)	0.023 (5)	0.007 (5)
C22	0.060 (6)	0.046 (6)	0.063 (7)	0.006 (5)	0.007 (5)	0.011 (5)
C23	0.076 (7)	0.062 (7)	0.044 (6)	−0.003 (5)	0.002 (5)	0.014 (5)
C24	0.052 (5)	0.034 (5)	0.049 (6)	0.000 (4)	0.011 (4)	0.003 (4)
C25	0.090 (8)	0.041 (6)	0.068 (7)	0.011 (5)	0.010 (6)	−0.005 (5)
C26	0.108 (9)	0.075 (8)	0.076 (8)	0.021 (7)	0.001 (7)	0.023 (6)
C27	0.090 (7)	0.047 (6)	0.046 (6)	0.011 (5)	0.006 (5)	0.005 (4)
C28	0.098 (8)	0.023 (4)	0.048 (6)	0.011 (5)	0.002 (5)	0.008 (4)
C29	0.080 (7)	0.039 (5)	0.063 (7)	0.015 (5)	0.000 (6)	−0.004 (5)
C30	0.116 (10)	0.073 (8)	0.045 (6)	0.022 (7)	0.004 (7)	0.002 (5)
C31	0.095 (9)	0.059 (7)	0.085 (9)	0.022 (6)	0.028 (7)	0.010 (6)
C32	0.092 (9)	0.054 (7)	0.090 (9)	0.007 (6)	0.014 (7)	0.000 (6)
C33	0.075 (7)	0.041 (5)	0.059 (7)	0.010 (5)	−0.008 (5)	−0.002 (5)
C34	0.122 (11)	0.088 (9)	0.078 (9)	0.005 (8)	−0.018 (8)	−0.006 (7)
C35	0.139 (13)	0.130 (13)	0.130 (13)	0.038 (10)	0.077 (10)	0.028 (10)
C36	0.097 (9)	0.080 (8)	0.084 (9)	0.003 (7)	−0.033 (7)	−0.001 (7)
I1	0.0963 (5)	0.0458 (4)	0.0579 (4)	0.0008 (3)	0.0156 (4)	−0.0035 (3)
I2	0.0853 (5)	0.0415 (4)	0.0891 (6)	−0.0003 (3)	0.0109 (4)	0.0017 (3)
Te1	0.0410 (3)	0.0344 (3)	0.0521 (4)	0.0043 (2)	0.0029 (2)	0.0013 (2)
Te2	0.0495 (3)	0.0318 (3)	0.0551 (4)	0.0074 (2)	0.0011 (3)	0.0000 (2)
Te3	0.0952 (5)	0.0451 (4)	0.0663 (5)	−0.0003 (3)	0.0141 (4)	0.0017 (3)

Geometric parameters (Å, º)

C1—C6	1.380 (10)	C19—Te1	2.134 (8)
C1—C2	1.390 (10)	C20—C21	1.378 (11)
C1—Te2	2.131 (7)	C20—C25	1.520 (12)
C2—C3	1.390 (10)	C21—C22	1.376 (13)
C2—C7	1.514 (10)	C21—H21	0.9300
C3—C4	1.376 (10)	C22—C23	1.382 (12)
C3—H3	0.9300	C22—C26	1.500 (13)
C4—C5	1.380 (10)	C23—C24	1.385 (12)
C4—C8	1.494 (11)	C23—H23	0.9300
C5—C6	1.397 (11)	C24—C27	1.517 (11)
C5—H5	0.9300	C25—H25A	0.9600
C6—C9	1.506 (11)	C25—H25B	0.9600
C7—H7A	0.9600	C25—H25C	0.9600
C7—H7B	0.9600	C26—H26A	0.9600
C7—H7C	0.9600	C26—H26B	0.9600
C8—H8A	0.9600	C26—H26C	0.9600
C8—H8B	0.9600	C27—H27A	0.9600
C8—H8C	0.9600	C27—H27B	0.9600
C9—H9A	0.9600	C27—H27C	0.9600
C9—H9B	0.9600	C28—C29	1.391 (12)
C9—H9C	0.9600	C28—C33	1.398 (13)
C10—C11	1.392 (10)	C28—Te3	2.125 (9)
C10—C15	1.409 (11)	C29—C30	1.412 (14)
C10—Te1	2.139 (8)	C29—C34	1.494 (14)
C11—C12	1.395 (12)	C30—C31	1.370 (16)
C11—C16	1.503 (11)	C30—H30	0.9300
C12—C13	1.374 (12)	C31—C32	1.363 (15)
C12—H12	0.9300	C31—C35	1.533 (16)
C13—C14	1.388 (12)	C32—C33	1.368 (14)
C13—C17	1.497 (12)	C32—H32	0.9300
C14—C15	1.382 (12)	C33—C36	1.496 (13)
C14—H14	0.9300	C34—H34A	0.9600
C15—C18	1.508 (11)	C34—H34B	0.9600
C16—H16A	0.9600	C34—H34C	0.9600
C16—H16B	0.9600	C35—H35A	0.9600
C16—H16C	0.9600	C35—H35B	0.9600
C17—H17A	0.9600	C35—H35C	0.9600
C17—H17B	0.9600	C36—H36A	0.9600
C17—H17C	0.9600	C36—H36B	0.9600
C18—H18A	0.9600	C36—H36C	0.9600
C18—H18B	0.9600	I1—Te2	2.9621 (9)
C18—H18C	0.9600	I2—Te3	2.7840 (10)
C19—C24	1.384 (11)	Te1—Te2	3.0609 (8)
C19—C20	1.400 (11)
C6—C1—C2	121.4 (7)	C21—C20—C25	118.7 (8)
C6—C1—Te2	119.2 (5)	C19—C20—C25	123.1 (8)
C2—C1—Te2	119.4 (5)	C22—C21—C20	122.8 (8)
C3—C2—C1	117.5 (7)	C22—C21—H21	118.6
C3—C2—C7	117.4 (7)	C20—C21—H21	118.6
C1—C2—C7	125.1 (7)	C21—C22—C23	117.0 (8)
C4—C3—C2	123.5 (7)	C21—C22—C26	122.5 (9)
C4—C3—H3	118.2	C23—C22—C26	120.6 (9)
C2—C3—H3	118.2	C22—C23—C24	123.2 (9)
C3—C4—C5	116.7 (7)	C22—C23—H23	118.4
C3—C4—C8	122.1 (8)	C24—C23—H23	118.4
C5—C4—C8	121.2 (8)	C19—C24—C23	117.7 (8)
C4—C5—C6	122.6 (7)	C19—C24—C27	123.5 (8)
C4—C5—H5	118.7	C23—C24—C27	118.8 (8)
C6—C5—H5	118.7	C20—C25—H25A	109.5
C1—C6—C5	118.2 (7)	C20—C25—H25B	109.5
C1—C6—C9	124.0 (7)	H25A—C25—H25B	109.5
C5—C6—C9	117.8 (7)	C20—C25—H25C	109.5
C2—C7—H7A	109.5	H25A—C25—H25C	109.5
C2—C7—H7B	109.5	H25B—C25—H25C	109.5
H7A—C7—H7B	109.5	C22—C26—H26A	109.5
C2—C7—H7C	109.5	C22—C26—H26B	109.5
H7A—C7—H7C	109.5	H26A—C26—H26B	109.5
H7B—C7—H7C	109.5	C22—C26—H26C	109.5
C4—C8—H8A	109.5	H26A—C26—H26C	109.5
C4—C8—H8B	109.5	H26B—C26—H26C	109.5
H8A—C8—H8B	109.5	C24—C27—H27A	109.5
C4—C8—H8C	109.5	C24—C27—H27B	109.5
H8A—C8—H8C	109.5	H27A—C27—H27B	109.5
H8B—C8—H8C	109.5	C24—C27—H27C	109.5
C6—C9—H9A	109.5	H27A—C27—H27C	109.5
C6—C9—H9B	109.5	H27B—C27—H27C	109.5
H9A—C9—H9B	109.5	C29—C28—C33	120.6 (9)
C6—C9—H9C	109.5	C29—C28—Te3	119.5 (8)
H9A—C9—H9C	109.5	C33—C28—Te3	119.8 (7)
H9B—C9—H9C	109.5	C28—C29—C30	118.4 (10)
C11—C10—C15	122.2 (7)	C28—C29—C34	123.7 (10)
C11—C10—Te1	121.3 (6)	C30—C29—C34	117.9 (10)
C15—C10—Te1	116.4 (6)	C31—C30—C29	120.7 (10)
C10—C11—C12	116.6 (7)	C31—C30—H30	119.6
C10—C11—C16	124.3 (7)	C29—C30—H30	119.6
C12—C11—C16	119.2 (7)	C32—C31—C30	119.0 (11)
C13—C12—C11	124.1 (8)	C32—C31—C35	120.8 (13)
C13—C12—H12	118.0	C30—C31—C35	120.1 (13)
C11—C12—H12	118.0	C31—C32—C33	123.0 (12)
C12—C13—C14	116.7 (8)	C31—C32—H32	118.5
C12—C13—C17	122.3 (9)	C33—C32—H32	118.5
C14—C13—C17	120.9 (9)	C32—C33—C28	118.2 (10)
C15—C14—C13	123.4 (8)	C32—C33—C36	118.8 (11)
C15—C14—H14	118.3	C28—C33—C36	122.9 (10)
C13—C14—H14	118.3	C29—C34—H34A	109.5
C14—C15—C10	117.1 (8)	C29—C34—H34B	109.5
C14—C15—C18	119.0 (8)	H34A—C34—H34B	109.5
C10—C15—C18	123.8 (8)	C29—C34—H34C	109.5
C11—C16—H16A	109.5	H34A—C34—H34C	109.5
C11—C16—H16B	109.5	H34B—C34—H34C	109.5
H16A—C16—H16B	109.5	C31—C35—H35A	109.5
C11—C16—H16C	109.5	C31—C35—H35B	109.5
H16A—C16—H16C	109.5	H35A—C35—H35B	109.5
H16B—C16—H16C	109.5	C31—C35—H35C	109.5
C13—C17—H17A	109.5	H35A—C35—H35C	109.5
C13—C17—H17B	109.5	H35B—C35—H35C	109.5
H17A—C17—H17B	109.5	C33—C36—H36A	109.5
C13—C17—H17C	109.5	C33—C36—H36B	109.5
H17A—C17—H17C	109.5	H36A—C36—H36B	109.5
H17B—C17—H17C	109.5	C33—C36—H36C	109.5
C15—C18—H18A	109.5	H36A—C36—H36C	109.5
C15—C18—H18B	109.5	H36B—C36—H36C	109.5
H18A—C18—H18B	109.5	C19—Te1—C10	99.0 (3)
C15—C18—H18C	109.5	C19—Te1—Te2	116.7 (2)
H18A—C18—H18C	109.5	C10—Te1—Te2	94.0 (2)
H18B—C18—H18C	109.5	C1—Te2—I1	92.3 (2)
C24—C19—C20	121.0 (7)	C1—Te2—Te1	79.9 (2)
C24—C19—Te1	118.8 (6)	I1—Te2—Te1	171.90 (3)
C20—C19—Te1	120.1 (6)	C28—Te3—I2	94.5 (2)
C21—C20—C19	118.2 (8)
C6—C1—C2—C3	−0.6 (11)	C21—C22—C23—C24	0.9 (14)
Te2—C1—C2—C3	−178.3 (5)	C26—C22—C23—C24	−179.2 (9)
C6—C1—C2—C7	−178.4 (7)	C20—C19—C24—C23	3.1 (12)
Te2—C1—C2—C7	3.8 (10)	Te1—C19—C24—C23	−179.8 (6)
C1—C2—C3—C4	1.6 (12)	C20—C19—C24—C27	−176.9 (8)
C7—C2—C3—C4	179.6 (7)	Te1—C19—C24—C27	0.2 (11)
C2—C3—C4—C5	−0.4 (12)	C22—C23—C24—C19	−3.2 (13)
C2—C3—C4—C8	−179.9 (8)	C22—C23—C24—C27	176.8 (9)
C3—C4—C5—C6	−1.8 (12)	C33—C28—C29—C30	−1.4 (13)
C8—C4—C5—C6	177.7 (8)	Te3—C28—C29—C30	175.3 (7)
C2—C1—C6—C5	−1.5 (12)	C33—C28—C29—C34	177.9 (9)
Te2—C1—C6—C5	176.2 (6)	Te3—C28—C29—C34	−5.4 (12)
C2—C1—C6—C9	177.8 (8)	C28—C29—C30—C31	−0.4 (15)
Te2—C1—C6—C9	−4.4 (11)	C34—C29—C30—C31	−179.7 (10)
C4—C5—C6—C1	2.8 (12)	C29—C30—C31—C32	2.6 (16)
C4—C5—C6—C9	−176.6 (8)	C29—C30—C31—C35	−179.7 (10)
C15—C10—C11—C12	0.0 (12)	C30—C31—C32—C33	−3.1 (16)
Te1—C10—C11—C12	176.3 (6)	C35—C31—C32—C33	179.2 (10)
C15—C10—C11—C16	−179.5 (8)	C31—C32—C33—C28	1.3 (15)
Te1—C10—C11—C16	−3.2 (11)	C31—C32—C33—C36	−179.4 (10)
C10—C11—C12—C13	−0.1 (13)	C29—C28—C33—C32	1.0 (13)
C16—C11—C12—C13	179.4 (8)	Te3—C28—C33—C32	−175.7 (7)
C11—C12—C13—C14	−0.2 (13)	C29—C28—C33—C36	−178.3 (9)
C11—C12—C13—C17	−176.5 (9)	Te3—C28—C33—C36	5.0 (12)
C12—C13—C14—C15	0.7 (13)	C24—C19—Te1—C10	53.7 (7)
C17—C13—C14—C15	177.1 (8)	C20—C19—Te1—C10	−129.2 (6)
C13—C14—C15—C10	−0.8 (13)	C24—C19—Te1—Te2	152.8 (5)
C13—C14—C15—C18	−179.0 (8)	C20—C19—Te1—Te2	−30.1 (7)
C11—C10—C15—C14	0.5 (12)	C11—C10—Te1—C19	51.6 (7)
Te1—C10—C15—C14	−176.0 (6)	C15—C10—Te1—C19	−131.9 (6)
C11—C10—C15—C18	178.6 (8)	C11—C10—Te1—Te2	−66.2 (6)
Te1—C10—C15—C18	2.1 (11)	C15—C10—Te1—Te2	110.3 (6)
C24—C19—C20—C21	−0.9 (12)	C6—C1—Te2—I1	93.8 (6)
Te1—C19—C20—C21	−177.9 (6)	C2—C1—Te2—I1	−88.4 (6)
C24—C19—C20—C25	−178.8 (8)	C6—C1—Te2—Te1	−84.0 (6)
Te1—C19—C20—C25	4.1 (11)	C2—C1—Te2—Te1	93.8 (6)
C19—C20—C21—C22	−1.6 (13)	C19—Te1—Te2—C1	−179.6 (3)
C25—C20—C21—C22	176.4 (9)	C10—Te1—Te2—C1	−77.4 (3)
C20—C21—C22—C23	1.6 (14)	C29—C28—Te3—I2	−88.5 (7)
C20—C21—C22—C26	−178.3 (9)	C33—C28—Te3—I2	88.2 (7)

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
C7—H7A···Cg1	0.96	2.69	3.497 (9)	142
C18—H18C···Cg2	0.96	2.89	3.788 (10)	156