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The title compound, C24H56N6O2Te42+·2I·C2H3N or H[(tBuNH)Te(μ-NtBu)2Te(μ-O)]2(I)2·MeCN, provides the first example of the cis form of an imidotelluroxane dication. The basket-shaped structure is bis­pirocyclic, with a `backbone' Te...Te...Te...Te pseudo-torsion angle of −31.51 (3)°. The structure exhibits two ionic Te...I inter­actions [3.4103 (8) and 3.445 (1) Å] and two Te...I close contacts [3.863 (1) and 3.924 (1) Å] within the mol­ecule, and two Te...I close contacts [3.651 (1) and 3.703 (2) Å] between ions. The inter­molecular close contacts connect the cations into pairs which are linked by a weak Te...I contact [4.090 (1) Å] to form an infinite chain.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805018714/hb6185sup1.cif
Contains datablocks II, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536805018714/hb6185IIsup2.hkl
Contains datablock II

CCDC reference: 277253

Key indicators

  • Single-crystal X-ray study
  • T = 173 K
  • Mean [sigma](C-C) = 0.007 Å
  • R factor = 0.025
  • wR factor = 0.055
  • Data-to-parameter ratio = 19.9

checkCIF/PLATON results

No syntax errors found



Alert level A PLAT432_ALERT_2_A Short Inter X...Y Contact I1 .. Te1A .. 3.41 Ang.
Author Response: As discussed in the text, this is a typical distance for an ionic Te...I interaction
PLAT432_ALERT_2_A Short Inter X...Y Contact  I2     ..  Te1B    ..       3.45 Ang.
Author Response: As discussed in the text, this is a typical distance for an ionic Te...I interaction

Alert level C PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.12 Ratio PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C10A PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for C5 PLAT420_ALERT_2_C D-H Without Acceptor N1A - H1A ... ?
Author Response: Hydrogen atom of N-H group is shielded by the molecule and does not show hydrogen bonding
PLAT420_ALERT_2_C D-H Without Acceptor       N1B    -   H1B    ...          ?
Author Response: Hydrogen atom of N-H group is shielded by the molecule and does not show hydrogen bonding

2 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 6 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 6 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: COLLECT (Nonius, 2000); cell refinement: SCALEPACK (Otwinowski & Minor 1997); data reduction: DENZO-SMN (Otwinowski & Minor 1997); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: DIAMOND (Brandenburg & Berndt, 1999); software used to prepare material for publication: WinGX (Version 1.64-05; Farrugia, 1999).

cis-Di-tert-butylamidotetra-µ-tert-butylimido-di-µ-oxo-tetratellurium diiodide acetonitrile solvate top
Crystal data top
C24H56N6O2Te42+·2I·C2H3NZ = 2
Mr = 1266.00F(000) = 1188
Triclinic, P1Dx = 2.001 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 12.340 (3) ÅCell parameters from 37429 reflections
b = 12.836 (3) Åθ = 2.3–25.0°
c = 14.121 (3) ŵ = 4.25 mm1
α = 81.70 (3)°T = 173 K
β = 86.20 (3)°Rod, yellow
γ = 71.78 (3)°0.20 × 0.08 × 0.05 mm
V = 2101.8 (9) Å3
Data collection top
Nonius KappaCCD (FR540C)
diffractometer
7399 independent reflections
Radiation source: Enraf–Nonius FR590D, fine-focus sealed tube6465 reflections with I > 2σ(I)
Horizonally mounted graphite crystal monochromatorRint = 0.061
CCD rotation images, thick slices scansθmax = 25.0°, θmin = 2.3°
Absorption correction: multi-scan
(SHELXTL; Bruker, 2001)
h = 1414
Tmin = 0.484, Tmax = 0.816k = 1515
37429 measured reflectionsl = 1616
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.026H-atom parameters constrained
wR(F2) = 0.055 w = 1/[σ2(Fo2) + (0.0109P)2 + 2.0911P]
where P = (Fo2 + 2Fc2)/3
S = 1.10(Δ/σ)max = 0.002
7399 reflectionsΔρmax = 0.96 e Å3
372 parametersΔρmin = 1.40 e Å3
0 restraintsExtinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methodsExtinction coefficient: 0.00098 (7)
Special details top

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 (Å2) top
xyzUiso*/Ueq
Te1A0.28213 (2)0.051701 (19)0.278011 (18)0.02205 (8)
Te2A0.09992 (2)0.155294 (19)0.176249 (17)0.01799 (7)
Te2B0.08656 (2)0.403556 (19)0.125317 (17)0.01951 (8)
Te1B0.17772 (2)0.56572 (2)0.220231 (18)0.02204 (8)
I20.13430 (2)0.67213 (2)0.017416 (19)0.03067 (8)
I10.03397 (3)0.88462 (2)0.27605 (2)0.03362 (9)
O1A0.1768 (2)0.2439 (2)0.09410 (18)0.0228 (6)
O1B0.0414 (2)0.3074 (2)0.22621 (18)0.0227 (6)
N1A0.4301 (3)0.0241 (3)0.2854 (3)0.0387 (10)
H1A0.43230.04330.26450.046*
N2A0.2423 (3)0.0209 (3)0.1483 (2)0.0232 (7)
N3A0.1857 (3)0.0992 (2)0.3021 (2)0.0200 (7)
N1B0.2323 (3)0.5000 (3)0.3503 (2)0.0326 (9)
H1B0.23010.43200.36800.039*
N2B0.0394 (3)0.5206 (2)0.2241 (2)0.0234 (7)
N3B0.2342 (3)0.4203 (3)0.1670 (2)0.0252 (8)
C10A0.5371 (4)0.1050 (4)0.3223 (3)0.0353 (11)
C11A0.5214 (5)0.1426 (5)0.4286 (4)0.0568 (15)
H11A0.46080.17780.43700.068*
H11B0.50030.07840.46370.068*
H11C0.59290.19570.45320.068*
C12A0.6292 (4)0.0508 (4)0.3067 (4)0.0574 (15)
H12A0.63770.02740.23820.069*
H12B0.70130.10330.33060.069*
H12C0.60880.01400.34120.069*
C13A0.5665 (4)0.2076 (4)0.2707 (5)0.0601 (16)
H13A0.50510.24140.28200.072*
H13B0.63800.26080.29520.072*
H13C0.57540.18610.20190.072*
C20A0.2630 (4)0.0333 (3)0.0594 (3)0.0309 (10)
C21A0.1513 (4)0.0074 (4)0.0078 (3)0.0397 (12)
H21A0.09850.03800.04880.048*
H21B0.16600.04040.05200.048*
H21C0.11760.07300.00650.048*
C22A0.3130 (5)0.1578 (4)0.0839 (4)0.0517 (15)
H22A0.25830.18670.12420.062*
H22B0.38400.17490.11850.062*
H22C0.32890.19230.02480.062*
C23A0.3459 (6)0.0136 (6)0.0031 (4)0.0717 (19)
H23A0.31230.09390.01810.086*
H23B0.36190.02010.06250.086*
H23C0.41710.00280.03110.086*
C30A0.1394 (3)0.1255 (3)0.4004 (3)0.0245 (9)
C31A0.0104 (4)0.1493 (3)0.4088 (3)0.0314 (10)
H31A0.00930.08430.39620.038*
H31B0.02660.21280.36200.038*
H31C0.01600.16600.47350.038*
C32A0.1953 (4)0.0261 (3)0.4751 (3)0.0361 (11)
H32A0.17460.03840.46290.043*
H32B0.16830.04400.53940.043*
H32C0.27840.00960.47050.043*
C33A0.1717 (4)0.2255 (4)0.4197 (3)0.0369 (11)
H33A0.25480.20920.41410.044*
H33B0.14590.24250.48440.044*
H33C0.13530.28930.37300.044*
C10B0.2762 (4)0.5483 (3)0.4217 (3)0.0289 (10)
C11B0.3529 (4)0.4533 (4)0.4875 (4)0.0447 (13)
H11D0.30820.40670.51950.054*
H11E0.38450.48290.53550.054*
H11F0.41520.40900.44970.054*
C12B0.1777 (4)0.6163 (4)0.4804 (3)0.0415 (12)
H12D0.13450.56850.51290.050*
H12E0.12730.67650.43790.050*
H12F0.20820.64730.52820.050*
C13B0.3435 (4)0.6216 (4)0.3713 (3)0.0412 (12)
H13D0.29310.68240.32930.049*
H13E0.40590.57790.33310.049*
H13F0.37510.65180.41890.049*
C20B0.0803 (3)0.5918 (3)0.2411 (3)0.0233 (9)
C21B0.0861 (4)0.6298 (3)0.3393 (3)0.0295 (10)
H21D0.06200.56510.38810.035*
H21E0.16460.67350.35360.035*
H21F0.03550.67530.33940.035*
C22B0.1175 (4)0.6913 (3)0.1641 (3)0.0334 (10)
H22D0.11330.66570.10150.040*
H22E0.06690.73690.16360.040*
H22F0.19610.73520.17780.040*
C23B0.1586 (4)0.5198 (3)0.2425 (3)0.0337 (11)
H23D0.13420.45610.29210.040*
H23E0.15450.49400.17990.040*
H23F0.23730.56340.25620.040*
C30B0.3531 (4)0.3743 (3)0.1247 (3)0.0300 (10)
C31B0.4232 (4)0.4496 (4)0.1401 (4)0.0450 (13)
H31D0.38930.52320.10500.054*
H31E0.50170.41830.11680.054*
H31F0.42350.45530.20850.054*
C32B0.4056 (4)0.2596 (4)0.1793 (4)0.0387 (11)
H32D0.40610.26520.24770.046*
H32E0.48410.22820.15590.046*
H32F0.36050.21150.16940.046*
C33B0.3515 (4)0.3676 (4)0.0178 (3)0.0366 (11)
H33D0.31760.44190.01630.044*
H33E0.30620.31990.00720.044*
H33F0.42980.33670.00630.044*
C40.7574 (5)0.1876 (6)0.2503 (4)0.0702 (18)
H4A0.82160.12320.27280.084*
H4B0.78640.24530.21510.084*
H4C0.71070.16590.20800.084*
C50.6895 (5)0.2291 (5)0.3304 (5)0.0625 (16)
N40.6361 (6)0.2601 (6)0.3922 (5)0.111 (2)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Te1A0.02189 (15)0.01550 (13)0.02704 (16)0.00353 (11)0.00383 (11)0.00077 (11)
Te2A0.01948 (14)0.01570 (13)0.01856 (14)0.00509 (11)0.00188 (10)0.00151 (10)
Te2B0.02357 (15)0.01600 (13)0.01845 (14)0.00604 (11)0.00232 (11)0.00020 (10)
Te1B0.02582 (15)0.01937 (13)0.02221 (15)0.00889 (12)0.00315 (11)0.00122 (11)
I20.03816 (18)0.03006 (15)0.02587 (16)0.01508 (13)0.00761 (12)0.00314 (12)
I10.03795 (18)0.03004 (15)0.03790 (18)0.01899 (14)0.00096 (13)0.00130 (12)
O1A0.0271 (15)0.0183 (13)0.0219 (15)0.0074 (12)0.0037 (12)0.0000 (11)
O1B0.0287 (16)0.0177 (13)0.0216 (15)0.0068 (12)0.0007 (12)0.0034 (11)
N1A0.026 (2)0.0260 (19)0.060 (3)0.0068 (17)0.0151 (19)0.0123 (18)
N2A0.0233 (18)0.0223 (17)0.0231 (18)0.0045 (15)0.0009 (14)0.0051 (14)
N3A0.0215 (18)0.0181 (16)0.0190 (17)0.0038 (14)0.0007 (14)0.0027 (13)
N1B0.050 (2)0.0256 (18)0.028 (2)0.0210 (18)0.0097 (17)0.0029 (15)
N2B0.0219 (18)0.0205 (16)0.0278 (19)0.0059 (15)0.0022 (15)0.0036 (14)
N3B0.0258 (19)0.0224 (17)0.0297 (19)0.0094 (15)0.0007 (15)0.0066 (15)
C10A0.022 (2)0.036 (2)0.043 (3)0.004 (2)0.009 (2)0.001 (2)
C11A0.050 (3)0.056 (3)0.053 (3)0.003 (3)0.014 (3)0.007 (3)
C12A0.033 (3)0.057 (3)0.081 (4)0.015 (3)0.015 (3)0.002 (3)
C13A0.031 (3)0.057 (3)0.092 (5)0.002 (3)0.007 (3)0.028 (3)
C20A0.033 (2)0.034 (2)0.027 (2)0.008 (2)0.0007 (19)0.0125 (19)
C21A0.045 (3)0.039 (3)0.033 (3)0.005 (2)0.009 (2)0.016 (2)
C22A0.053 (3)0.042 (3)0.054 (3)0.007 (3)0.015 (3)0.029 (3)
C23A0.080 (4)0.102 (5)0.054 (4)0.051 (4)0.041 (3)0.043 (3)
C30A0.028 (2)0.026 (2)0.017 (2)0.0063 (19)0.0014 (17)0.0020 (17)
C31A0.035 (3)0.031 (2)0.025 (2)0.006 (2)0.0057 (19)0.0036 (18)
C32A0.043 (3)0.035 (2)0.024 (2)0.005 (2)0.003 (2)0.0002 (19)
C33A0.051 (3)0.035 (2)0.028 (2)0.015 (2)0.005 (2)0.012 (2)
C10B0.041 (3)0.024 (2)0.024 (2)0.013 (2)0.0085 (19)0.0002 (18)
C11B0.049 (3)0.034 (3)0.046 (3)0.006 (2)0.019 (2)0.001 (2)
C12B0.050 (3)0.040 (3)0.035 (3)0.013 (2)0.003 (2)0.007 (2)
C13B0.056 (3)0.037 (3)0.039 (3)0.027 (2)0.008 (2)0.002 (2)
C20B0.023 (2)0.022 (2)0.023 (2)0.0042 (18)0.0019 (17)0.0040 (17)
C21B0.034 (3)0.030 (2)0.026 (2)0.012 (2)0.0033 (19)0.0060 (18)
C22B0.029 (2)0.034 (2)0.030 (2)0.002 (2)0.0017 (19)0.0025 (19)
C23B0.026 (2)0.033 (2)0.044 (3)0.009 (2)0.003 (2)0.015 (2)
C30B0.024 (2)0.030 (2)0.037 (3)0.009 (2)0.0031 (19)0.0067 (19)
C31B0.030 (3)0.047 (3)0.063 (3)0.018 (2)0.011 (2)0.013 (3)
C32B0.023 (2)0.034 (2)0.053 (3)0.002 (2)0.001 (2)0.003 (2)
C33B0.035 (3)0.037 (2)0.039 (3)0.015 (2)0.012 (2)0.009 (2)
C40.052 (4)0.104 (5)0.052 (4)0.027 (4)0.006 (3)0.002 (3)
C50.057 (4)0.086 (4)0.056 (4)0.038 (4)0.002 (3)0.013 (3)
N40.112 (6)0.140 (6)0.098 (5)0.053 (5)0.037 (4)0.054 (5)
Geometric parameters (Å, º) top
Te1A—N2A1.951 (3)C30A—C32A1.540 (5)
Te1A—N1A1.978 (4)C31A—H31A0.9800
Te1A—N3A1.995 (3)C31A—H31B0.9800
Te1A—Te2A3.1255 (14)C31A—H31C0.9800
Te2A—O1A1.920 (3)C32A—H32A0.9800
Te2A—N3A2.050 (3)C32A—H32B0.9800
Te2A—O1B2.069 (2)C32A—H32C0.9800
Te2A—N2A2.104 (3)C33A—H33A0.9800
Te2A—Te2B3.1183 (8)C33A—H33B0.9800
Te2B—O1B1.918 (3)C33A—H33C0.9800
Te2B—N3B2.034 (3)C10B—C13B1.516 (6)
Te2B—O1A2.098 (3)C10B—C11B1.520 (6)
Te2B—N2B2.119 (3)C10B—C12B1.529 (6)
Te2B—Te1B3.1407 (8)C11B—H11D0.9800
Te1B—N2B1.963 (3)C11B—H11E0.9800
Te1B—N1B1.975 (3)C11B—H11F0.9800
Te1B—N3B2.013 (3)C12B—H12D0.9800
N1A—C10A1.473 (5)C12B—H12E0.9800
N1A—H1A0.8800C12B—H12F0.9800
N2A—C20A1.492 (5)C13B—H13D0.9800
N3A—C30A1.509 (5)C13B—H13E0.9800
N1B—C10B1.470 (5)C13B—H13F0.9800
N1B—H1B0.8800C20B—C22B1.523 (5)
N2B—C20B1.499 (5)C20B—C21B1.525 (5)
N3B—C30B1.518 (5)C20B—C23B1.529 (6)
C10A—C12A1.498 (7)C21B—H21D0.9800
C10A—C11A1.528 (7)C21B—H21E0.9800
C10A—C13A1.528 (7)C21B—H21F0.9800
C11A—H11A0.9800C22B—H22D0.9800
C11A—H11B0.9800C22B—H22E0.9800
C11A—H11C0.9800C22B—H22F0.9800
C12A—H12A0.9800C23B—H23D0.9800
C12A—H12B0.9800C23B—H23E0.9800
C12A—H12C0.9800C23B—H23F0.9800
C13A—H13A0.9800C30B—C32B1.525 (6)
C13A—H13B0.9800C30B—C33B1.526 (6)
C13A—H13C0.9800C30B—C31B1.528 (6)
C20A—C23A1.516 (7)C31B—H31D0.9800
C20A—C22A1.519 (6)C31B—H31E0.9800
C20A—C21A1.521 (6)C31B—H31F0.9800
C21A—H21A0.9800C32B—H32D0.9800
C21A—H21B0.9800C32B—H32E0.9800
C21A—H21C0.9800C32B—H32F0.9800
C22A—H22A0.9800C33B—H33D0.9800
C22A—H22B0.9800C33B—H33E0.9800
C22A—H22C0.9800C33B—H33F0.9800
C23A—H23A0.9800C4—C51.426 (9)
C23A—H23B0.9800C4—H4A0.9800
C23A—H23C0.9800C4—H4B0.9800
C30A—C33A1.522 (6)C4—H4C0.9800
C30A—C31A1.524 (6)C5—N41.102 (8)
N2A—Te1A—N1A98.69 (15)N3A—C30A—C32A109.1 (3)
N2A—Te1A—N3A78.31 (13)C33A—C30A—C32A109.2 (3)
N1A—Te1A—N3A95.78 (14)C31A—C30A—C32A108.4 (3)
N1A—Te1A—Te2A111.52 (10)C30A—C31A—H31A109.5
O1A—Te2A—N3A108.84 (12)C30A—C31A—H31B109.5
O1A—Te2A—O1B76.48 (11)H31A—C31A—H31B109.5
N3A—Te2A—O1B86.14 (11)C30A—C31A—H31C109.5
O1A—Te2A—N2A85.16 (12)H31A—C31A—H31C109.5
N3A—Te2A—N2A73.70 (12)H31B—C31A—H31C109.5
O1B—Te2A—N2A146.71 (12)C30A—C32A—H32A109.5
N3A—Te2A—Te2B106.65 (9)C30A—C32A—H32B109.5
N2A—Te2A—Te2B124.79 (9)H32A—C32A—H32B109.5
O1A—Te2A—Te1A108.92 (8)C30A—C32A—H32C109.5
O1B—Te2A—Te1A124.41 (7)H32A—C32A—H32C109.5
Te2B—Te2A—Te1A133.25 (2)H32B—C32A—H32C109.5
O1B—Te2B—N3B106.28 (12)C30A—C33A—H33A109.5
O1B—Te2B—O1A75.83 (10)C30A—C33A—H33B109.5
N3B—Te2B—O1A89.50 (12)H33A—C33A—H33B109.5
O1B—Te2B—N2B84.69 (11)C30A—C33A—H33C109.5
N3B—Te2B—N2B73.60 (13)H33A—C33A—H33C109.5
O1A—Te2B—N2B149.56 (11)H33B—C33A—H33C109.5
N3B—Te2B—Te2A107.65 (9)N1B—C10B—C13B109.4 (3)
N2B—Te2B—Te2A124.25 (9)N1B—C10B—C11B107.4 (3)
O1B—Te2B—Te1B107.75 (8)C13B—C10B—C11B110.4 (4)
O1A—Te2B—Te1B128.06 (7)N1B—C10B—C12B110.3 (4)
Te2A—Te2B—Te1B134.21 (2)C13B—C10B—C12B109.8 (4)
N2B—Te1B—N1B98.88 (14)C11B—C10B—C12B109.5 (4)
N2B—Te1B—N3B77.50 (13)C10B—C11B—H11D109.5
N1B—Te1B—N3B93.82 (14)C10B—C11B—H11E109.5
N1B—Te1B—Te2B110.68 (10)H11D—C11B—H11E109.5
Te2A—O1A—Te2B101.71 (12)C10B—C11B—H11F109.5
Te2B—O1B—Te2A102.83 (12)H11D—C11B—H11F109.5
C10A—N1A—Te1A126.5 (3)H11E—C11B—H11F109.5
C10A—N1A—H1A116.8C10B—C12B—H12D109.5
Te1A—N1A—H1A116.8C10B—C12B—H12E109.5
C20A—N2A—Te1A126.5 (3)H12D—C12B—H12E109.5
C20A—N2A—Te2A125.5 (3)C10B—C12B—H12F109.5
Te1A—N2A—Te2A100.78 (14)H12D—C12B—H12F109.5
C30A—N3A—Te1A122.5 (2)H12E—C12B—H12F109.5
C30A—N3A—Te2A126.3 (2)C10B—C13B—H13D109.5
Te1A—N3A—Te2A101.19 (13)C10B—C13B—H13E109.5
C10B—N1B—Te1B129.2 (3)H13D—C13B—H13E109.5
C10B—N1B—H1B115.4C10B—C13B—H13F109.5
Te1B—N1B—H1B115.4H13D—C13B—H13F109.5
C20B—N2B—Te1B126.2 (2)H13E—C13B—H13F109.5
C20B—N2B—Te2B124.5 (2)N2B—C20B—C22B112.2 (3)
Te1B—N2B—Te2B100.54 (14)N2B—C20B—C21B107.9 (3)
C30B—N3B—Te1B124.1 (2)C22B—C20B—C21B110.3 (3)
C30B—N3B—Te2B127.3 (2)N2B—C20B—C23B107.5 (3)
Te1B—N3B—Te2B101.78 (15)C22B—C20B—C23B109.9 (3)
N1A—C10A—C12A108.1 (4)C21B—C20B—C23B108.9 (3)
N1A—C10A—C11A109.6 (4)C20B—C21B—H21D109.5
C12A—C10A—C11A110.9 (4)C20B—C21B—H21E109.5
N1A—C10A—C13A109.9 (4)H21D—C21B—H21E109.5
C12A—C10A—C13A111.1 (4)C20B—C21B—H21F109.5
C11A—C10A—C13A107.3 (4)H21D—C21B—H21F109.5
C10A—C11A—H11A109.5H21E—C21B—H21F109.5
C10A—C11A—H11B109.5C20B—C22B—H22D109.5
H11A—C11A—H11B109.5C20B—C22B—H22E109.5
C10A—C11A—H11C109.5H22D—C22B—H22E109.5
H11A—C11A—H11C109.5C20B—C22B—H22F109.5
H11B—C11A—H11C109.5H22D—C22B—H22F109.5
C10A—C12A—H12A109.5H22E—C22B—H22F109.5
C10A—C12A—H12B109.5C20B—C23B—H23D109.5
H12A—C12A—H12B109.5C20B—C23B—H23E109.5
C10A—C12A—H12C109.5H23D—C23B—H23E109.5
H12A—C12A—H12C109.5C20B—C23B—H23F109.5
H12B—C12A—H12C109.5H23D—C23B—H23F109.5
C10A—C13A—H13A109.5H23E—C23B—H23F109.5
C10A—C13A—H13B109.5N3B—C30B—C32B106.9 (3)
H13A—C13A—H13B109.5N3B—C30B—C33B112.3 (3)
C10A—C13A—H13C109.5C32B—C30B—C33B110.4 (4)
H13A—C13A—H13C109.5N3B—C30B—C31B108.5 (3)
H13B—C13A—H13C109.5C32B—C30B—C31B109.6 (4)
N2A—C20A—C23A106.8 (4)C33B—C30B—C31B109.0 (4)
N2A—C20A—C22A110.2 (4)C30B—C31B—H31D109.5
C23A—C20A—C22A110.6 (4)C30B—C31B—H31E109.5
N2A—C20A—C21A109.9 (3)H31D—C31B—H31E109.5
C23A—C20A—C21A110.2 (4)C30B—C31B—H31F109.5
C22A—C20A—C21A109.1 (4)H31D—C31B—H31F109.5
C20A—C21A—H21A109.5H31E—C31B—H31F109.5
C20A—C21A—H21B109.5C30B—C32B—H32D109.5
H21A—C21A—H21B109.5C30B—C32B—H32E109.5
C20A—C21A—H21C109.5H32D—C32B—H32E109.5
H21A—C21A—H21C109.5C30B—C32B—H32F109.5
H21B—C21A—H21C109.5H32D—C32B—H32F109.5
C20A—C22A—H22A109.5H32E—C32B—H32F109.5
C20A—C22A—H22B109.5C30B—C33B—H33D109.5
H22A—C22A—H22B109.5C30B—C33B—H33E109.5
C20A—C22A—H22C109.5H33D—C33B—H33E109.5
H22A—C22A—H22C109.5C30B—C33B—H33F109.5
H22B—C22A—H22C109.5H33D—C33B—H33F109.5
C20A—C23A—H23A109.5H33E—C33B—H33F109.5
C20A—C23A—H23B109.5C5—C4—H4A109.5
H23A—C23A—H23B109.5C5—C4—H4B109.5
C20A—C23A—H23C109.5H4A—C4—H4B109.5
H23A—C23A—H23C109.5C5—C4—H4C109.5
H23B—C23A—H23C109.5H4A—C4—H4C109.5
N3A—C30A—C33A107.6 (3)H4B—C4—H4C109.5
N3A—C30A—C31A112.2 (3)N4—C5—C4179.0 (8)
C33A—C30A—C31A110.3 (3)
N2A—Te1A—Te2A—O1A54.05 (17)N3A—Te2A—N2A—Te1A18.53 (13)
N1A—Te1A—Te2A—O1A24.32 (15)O1B—Te2A—N2A—Te1A73.6 (2)
N3A—Te1A—Te2A—O1A96.80 (16)Te2B—Te2A—N2A—Te1A117.76 (10)
N2A—Te1A—Te2A—N3A150.9 (2)N2A—Te1A—N3A—C30A166.6 (3)
N1A—Te1A—Te2A—N3A72.48 (19)N1A—Te1A—N3A—C30A95.7 (3)
N2A—Te1A—Te2A—O1B140.35 (17)Te2A—Te1A—N3A—C30A147.4 (4)
N1A—Te1A—Te2A—O1B61.97 (16)N2A—Te1A—N3A—Te2A19.21 (13)
N3A—Te1A—Te2A—O1B10.51 (17)N1A—Te1A—N3A—Te2A116.92 (15)
N1A—Te1A—Te2A—N2A78.37 (19)O1A—Te2A—N3A—C30A117.3 (3)
N3A—Te1A—Te2A—N2A150.9 (2)O1B—Te2A—N3A—C30A43.0 (3)
N2A—Te1A—Te2A—Te2B93.75 (15)N2A—Te2A—N3A—C30A163.8 (3)
N1A—Te1A—Te2A—Te2B15.37 (13)Te2B—Te2A—N3A—C30A74.0 (3)
N3A—Te1A—Te2A—Te2B57.11 (14)Te1A—Te2A—N3A—C30A145.6 (4)
O1A—Te2A—Te2B—O1B158.72 (17)O1A—Te2A—N3A—Te1A97.02 (14)
N3A—Te2A—Te2B—O1B58.93 (15)O1B—Te2A—N3A—Te1A171.33 (14)
N2A—Te2A—Te2B—O1B140.37 (16)N2A—Te2A—N3A—Te1A18.13 (13)
Te1A—Te2A—Te2B—O1B92.22 (12)Te2B—Te2A—N3A—Te1A140.33 (9)
O1A—Te2A—Te2B—N3B64.15 (15)N2B—Te1B—N1B—C10B135.3 (4)
N3A—Te2A—Te2B—N3B35.65 (14)N3B—Te1B—N1B—C10B146.8 (4)
O1B—Te2A—Te2B—N3B94.58 (16)Te2B—Te1B—N1B—C10B176.6 (3)
N2A—Te2A—Te2B—N3B45.79 (14)N1B—Te1B—N2B—C20B100.5 (3)
Te1A—Te2A—Te2B—N3B2.36 (10)N3B—Te1B—N2B—C20B167.5 (3)
N3A—Te2A—Te2B—O1A99.79 (15)Te2B—Te1B—N2B—C20B148.3 (4)
O1B—Te2A—Te2B—O1A158.72 (17)N1B—Te1B—N2B—Te2B111.25 (15)
N2A—Te2A—Te2B—O1A18.35 (16)N3B—Te1B—N2B—Te2B19.28 (13)
Te1A—Te2A—Te2B—O1A66.50 (12)O1B—Te2B—N2B—C20B82.8 (3)
O1A—Te2A—Te2B—N2B145.99 (16)N3B—Te2B—N2B—C20B168.4 (3)
N3A—Te2A—Te2B—N2B46.20 (14)O1A—Te2B—N2B—C20B132.8 (3)
O1B—Te2A—Te2B—N2B12.73 (16)Te2A—Te2B—N2B—C20B91.1 (3)
N2A—Te2A—Te2B—N2B127.64 (15)Te1B—Te2B—N2B—C20B149.0 (4)
Te1A—Te2A—Te2B—N2B79.49 (11)O1B—Te2B—N2B—Te1B128.15 (14)
O1A—Te2A—Te2B—Te1B98.01 (12)N3B—Te2B—N2B—Te1B19.43 (13)
N3A—Te2A—Te2B—Te1B1.78 (9)O1A—Te2B—N2B—Te1B78.2 (2)
O1B—Te2A—Te2B—Te1B60.71 (12)Te2A—Te2B—N2B—Te1B119.91 (10)
N2A—Te2A—Te2B—Te1B79.66 (11)N2B—Te1B—N3B—C30B173.1 (3)
Te1A—Te2A—Te2B—Te1B31.51 (3)N1B—Te1B—N3B—C30B88.7 (3)
O1B—Te2B—Te1B—N2B55.31 (16)Te2B—Te1B—N3B—C30B152.8 (4)
N3B—Te2B—Te1B—N2B149.4 (2)N2B—Te1B—N3B—Te2B20.22 (14)
O1A—Te2B—Te1B—N2B140.96 (16)N1B—Te1B—N3B—Te2B118.48 (16)
Te2A—Te2B—Te1B—N2B91.64 (14)O1B—Te2B—N3B—C30B110.1 (3)
O1B—Te2B—Te1B—N1B24.50 (15)O1A—Te2B—N3B—C30B35.0 (3)
N3B—Te2B—Te1B—N1B69.63 (19)N2B—Te2B—N3B—C30B170.6 (3)
O1A—Te2B—Te1B—N1B61.15 (15)Te2A—Te2B—N3B—C30B67.9 (3)
N2B—Te2B—Te1B—N1B79.81 (18)Te1B—Te2B—N3B—C30B151.6 (4)
Te2A—Te2B—Te1B—N1B11.83 (12)O1B—Te2B—N3B—Te1B98.26 (14)
O1B—Te2B—Te1B—N3B94.13 (17)O1A—Te2B—N3B—Te1B173.34 (13)
O1A—Te2B—Te1B—N3B8.48 (17)N2B—Te2B—N3B—Te1B19.01 (13)
N2B—Te2B—Te1B—N3B149.4 (2)Te2A—Te2B—N3B—Te1B140.47 (10)
Te2A—Te2B—Te1B—N3B57.80 (15)Te1A—N1A—C10A—C12A175.4 (4)
N3A—Te2A—O1A—Te2B94.01 (13)Te1A—N1A—C10A—C11A63.6 (5)
O1B—Te2A—O1A—Te2B12.94 (10)Te1A—N1A—C10A—C13A54.0 (5)
N2A—Te2A—O1A—Te2B164.96 (13)Te1A—N2A—C20A—C23A116.0 (4)
Te1A—Te2A—O1A—Te2B135.08 (7)Te2A—N2A—C20A—C23A99.4 (4)
O1B—Te2B—O1A—Te2A14.01 (11)Te1A—N2A—C20A—C22A4.2 (5)
N3B—Te2B—O1A—Te2A120.95 (13)Te2A—N2A—C20A—C22A140.4 (3)
N2B—Te2B—O1A—Te2A65.8 (3)Te1A—N2A—C20A—C21A124.5 (3)
Te1B—Te2B—O1A—Te2A115.65 (9)Te2A—N2A—C20A—C21A20.1 (5)
N3B—Te2B—O1B—Te2A98.27 (13)Te1A—N3A—C30A—C33A128.0 (3)
O1A—Te2B—O1B—Te2A13.04 (10)Te2A—N3A—C30A—C33A93.0 (4)
N2B—Te2B—O1B—Te2A169.46 (13)Te1A—N3A—C30A—C31A110.5 (3)
Te1B—Te2B—O1B—Te2A138.98 (8)Te2A—N3A—C30A—C31A28.4 (4)
O1A—Te2A—O1B—Te2B14.23 (11)Te1A—N3A—C30A—C32A9.6 (4)
N3A—Te2A—O1B—Te2B124.66 (14)Te2A—N3A—C30A—C32A148.6 (3)
N2A—Te2A—O1B—Te2B72.6 (2)Te1B—N1B—C10B—C13B35.4 (5)
Te1A—Te2A—O1B—Te2B118.09 (8)Te1B—N1B—C10B—C11B155.2 (3)
N2A—Te1A—N1A—C10A134.5 (4)Te1B—N1B—C10B—C12B85.5 (4)
N3A—Te1A—N1A—C10A146.5 (4)Te1B—N2B—C20B—C22B61.6 (4)
Te2A—Te1A—N1A—C10A175.4 (3)Te2B—N2B—C20B—C22B79.5 (4)
N1A—Te1A—N2A—C20A95.9 (3)Te1B—N2B—C20B—C21B60.1 (4)
N3A—Te1A—N2A—C20A170.0 (3)Te2B—N2B—C20B—C21B158.7 (3)
Te2A—Te1A—N2A—C20A151.3 (4)Te1B—N2B—C20B—C23B177.4 (3)
N1A—Te1A—N2A—Te2A112.81 (15)Te2B—N2B—C20B—C23B41.5 (4)
N3A—Te1A—N2A—Te2A18.66 (13)Te1B—N3B—C30B—C32B124.4 (3)
O1A—Te2A—N2A—C20A78.5 (3)Te2B—N3B—C30B—C32B89.8 (4)
N3A—Te2A—N2A—C20A170.3 (3)Te1B—N3B—C30B—C33B114.3 (3)
O1B—Te2A—N2A—C20A134.7 (3)Te2B—N3B—C30B—C33B31.5 (5)
Te2B—Te2A—N2A—C20A90.5 (3)Te1B—N3B—C30B—C31B6.3 (5)
Te1A—Te2A—N2A—C20A151.7 (4)Te2B—N3B—C30B—C31B152.1 (3)
O1A—Te2A—N2A—Te1A129.77 (14)
 

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