Buy article online - an online subscription or single-article purchase is required to access this article.
The title compound, C
24H
56N
6O
2Te
42+·2I
−·C
2H
3N or H[(
tBuNH)Te(μ-N
tBu)
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
CCDC reference: 277253
Key indicators
- Single-crystal X-ray study
- T = 173 K
- Mean (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
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−·C2H3N | Z = 2 |
Mr = 1266.00 | F(000) = 1188 |
Triclinic, P1 | Dx = 2.001 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 12.340 (3) Å | Cell parameters from 37429 reflections |
b = 12.836 (3) Å | θ = 2.3–25.0° |
c = 14.121 (3) Å | µ = 4.25 mm−1 |
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 tube | 6465 reflections with I > 2σ(I) |
Horizonally mounted graphite crystal monochromator | Rint = 0.061 |
CCD rotation images, thick slices scans | θmax = 25.0°, θmin = 2.3° |
Absorption correction: multi-scan (SHELXTL; Bruker, 2001) | h = −14→14 |
Tmin = 0.484, Tmax = 0.816 | k = −15→15 |
37429 measured reflections | l = −16→16 |
Refinement top
Refinement on F2 | Secondary atom site location: difference Fourier map |
Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
R[F2 > 2σ(F2)] = 0.026 | H-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 reflections | Δρmax = 0.96 e Å−3 |
372 parameters | Δρmin = −1.40 e Å−3 |
0 restraints | Extinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
Primary atom site location: structure-invariant direct methods | Extinction 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 | x | y | z | Uiso*/Ueq | |
Te1A | 0.28213 (2) | −0.051701 (19) | 0.278011 (18) | 0.02205 (8) | |
Te2A | 0.09992 (2) | 0.155294 (19) | 0.176249 (17) | 0.01799 (7) | |
Te2B | 0.08656 (2) | 0.403556 (19) | 0.125317 (17) | 0.01951 (8) | |
Te1B | 0.17772 (2) | 0.56572 (2) | 0.220231 (18) | 0.02204 (8) | |
I2 | 0.13430 (2) | 0.67213 (2) | −0.017416 (19) | 0.03067 (8) | |
I1 | 0.03397 (3) | 0.88462 (2) | 0.27605 (2) | 0.03362 (9) | |
O1A | 0.1768 (2) | 0.2439 (2) | 0.09410 (18) | 0.0228 (6) | |
O1B | 0.0414 (2) | 0.3074 (2) | 0.22621 (18) | 0.0227 (6) | |
N1A | 0.4301 (3) | −0.0241 (3) | 0.2854 (3) | 0.0387 (10) | |
H1A | 0.4323 | 0.0433 | 0.2645 | 0.046* | |
N2A | 0.2423 (3) | 0.0209 (3) | 0.1483 (2) | 0.0232 (7) | |
N3A | 0.1857 (3) | 0.0992 (2) | 0.3021 (2) | 0.0200 (7) | |
N1B | 0.2323 (3) | 0.5000 (3) | 0.3503 (2) | 0.0326 (9) | |
H1B | 0.2301 | 0.4320 | 0.3680 | 0.039* | |
N2B | 0.0394 (3) | 0.5206 (2) | 0.2241 (2) | 0.0234 (7) | |
N3B | 0.2342 (3) | 0.4203 (3) | 0.1670 (2) | 0.0252 (8) | |
C10A | 0.5371 (4) | −0.1050 (4) | 0.3223 (3) | 0.0353 (11) | |
C11A | 0.5214 (5) | −0.1426 (5) | 0.4286 (4) | 0.0568 (15) | |
H11A | 0.4608 | −0.1778 | 0.4370 | 0.068* | |
H11B | 0.5003 | −0.0784 | 0.4637 | 0.068* | |
H11C | 0.5929 | −0.1957 | 0.4532 | 0.068* | |
C12A | 0.6292 (4) | −0.0508 (4) | 0.3067 (4) | 0.0574 (15) | |
H12A | 0.6377 | −0.0274 | 0.2382 | 0.069* | |
H12B | 0.7013 | −0.1033 | 0.3306 | 0.069* | |
H12C | 0.6088 | 0.0140 | 0.3412 | 0.069* | |
C13A | 0.5665 (4) | −0.2076 (4) | 0.2707 (5) | 0.0601 (16) | |
H13A | 0.5051 | −0.2414 | 0.2820 | 0.072* | |
H13B | 0.6380 | −0.2608 | 0.2952 | 0.072* | |
H13C | 0.5754 | −0.1861 | 0.2019 | 0.072* | |
C20A | 0.2630 (4) | −0.0333 (3) | 0.0594 (3) | 0.0309 (10) | |
C21A | 0.1513 (4) | −0.0074 (4) | 0.0078 (3) | 0.0397 (12) | |
H21A | 0.0985 | −0.0380 | 0.0488 | 0.048* | |
H21B | 0.1660 | −0.0404 | −0.0520 | 0.048* | |
H21C | 0.1176 | 0.0730 | −0.0065 | 0.048* | |
C22A | 0.3130 (5) | −0.1578 (4) | 0.0839 (4) | 0.0517 (15) | |
H22A | 0.2583 | −0.1867 | 0.1242 | 0.062* | |
H22B | 0.3840 | −0.1749 | 0.1185 | 0.062* | |
H22C | 0.3289 | −0.1923 | 0.0248 | 0.062* | |
C23A | 0.3459 (6) | 0.0136 (6) | −0.0031 (4) | 0.0717 (19) | |
H23A | 0.3123 | 0.0939 | −0.0181 | 0.086* | |
H23B | 0.3619 | −0.0201 | −0.0625 | 0.086* | |
H23C | 0.4171 | −0.0028 | 0.0311 | 0.086* | |
C30A | 0.1394 (3) | 0.1255 (3) | 0.4004 (3) | 0.0245 (9) | |
C31A | 0.0104 (4) | 0.1493 (3) | 0.4088 (3) | 0.0314 (10) | |
H31A | −0.0093 | 0.0843 | 0.3962 | 0.038* | |
H31B | −0.0266 | 0.2128 | 0.3620 | 0.038* | |
H31C | −0.0160 | 0.1660 | 0.4735 | 0.038* | |
C32A | 0.1953 (4) | 0.0261 (3) | 0.4751 (3) | 0.0361 (11) | |
H32A | 0.1746 | −0.0384 | 0.4629 | 0.043* | |
H32B | 0.1683 | 0.0440 | 0.5394 | 0.043* | |
H32C | 0.2784 | 0.0096 | 0.4705 | 0.043* | |
C33A | 0.1717 (4) | 0.2255 (4) | 0.4197 (3) | 0.0369 (11) | |
H33A | 0.2548 | 0.2092 | 0.4141 | 0.044* | |
H33B | 0.1459 | 0.2425 | 0.4844 | 0.044* | |
H33C | 0.1353 | 0.2893 | 0.3730 | 0.044* | |
C10B | 0.2762 (4) | 0.5483 (3) | 0.4217 (3) | 0.0289 (10) | |
C11B | 0.3529 (4) | 0.4533 (4) | 0.4875 (4) | 0.0447 (13) | |
H11D | 0.3082 | 0.4067 | 0.5195 | 0.054* | |
H11E | 0.3845 | 0.4829 | 0.5355 | 0.054* | |
H11F | 0.4152 | 0.4090 | 0.4497 | 0.054* | |
C12B | 0.1777 (4) | 0.6163 (4) | 0.4804 (3) | 0.0415 (12) | |
H12D | 0.1345 | 0.5685 | 0.5129 | 0.050* | |
H12E | 0.1273 | 0.6765 | 0.4379 | 0.050* | |
H12F | 0.2082 | 0.6473 | 0.5282 | 0.050* | |
C13B | 0.3435 (4) | 0.6216 (4) | 0.3713 (3) | 0.0412 (12) | |
H13D | 0.2931 | 0.6824 | 0.3293 | 0.049* | |
H13E | 0.4059 | 0.5779 | 0.3331 | 0.049* | |
H13F | 0.3751 | 0.6518 | 0.4189 | 0.049* | |
C20B | −0.0803 (3) | 0.5918 (3) | 0.2411 (3) | 0.0233 (9) | |
C21B | −0.0861 (4) | 0.6298 (3) | 0.3393 (3) | 0.0295 (10) | |
H21D | −0.0620 | 0.5651 | 0.3881 | 0.035* | |
H21E | −0.1646 | 0.6735 | 0.3536 | 0.035* | |
H21F | −0.0355 | 0.6753 | 0.3394 | 0.035* | |
C22B | −0.1175 (4) | 0.6913 (3) | 0.1641 (3) | 0.0334 (10) | |
H22D | −0.1133 | 0.6657 | 0.1015 | 0.040* | |
H22E | −0.0669 | 0.7369 | 0.1636 | 0.040* | |
H22F | −0.1961 | 0.7352 | 0.1778 | 0.040* | |
C23B | −0.1586 (4) | 0.5198 (3) | 0.2425 (3) | 0.0337 (11) | |
H23D | −0.1342 | 0.4561 | 0.2921 | 0.040* | |
H23E | −0.1545 | 0.4940 | 0.1799 | 0.040* | |
H23F | −0.2373 | 0.5634 | 0.2562 | 0.040* | |
C30B | 0.3531 (4) | 0.3743 (3) | 0.1247 (3) | 0.0300 (10) | |
C31B | 0.4232 (4) | 0.4496 (4) | 0.1401 (4) | 0.0450 (13) | |
H31D | 0.3893 | 0.5232 | 0.1050 | 0.054* | |
H31E | 0.5017 | 0.4183 | 0.1168 | 0.054* | |
H31F | 0.4235 | 0.4553 | 0.2085 | 0.054* | |
C32B | 0.4056 (4) | 0.2596 (4) | 0.1793 (4) | 0.0387 (11) | |
H32D | 0.4061 | 0.2652 | 0.2477 | 0.046* | |
H32E | 0.4841 | 0.2282 | 0.1559 | 0.046* | |
H32F | 0.3605 | 0.2115 | 0.1694 | 0.046* | |
C33B | 0.3515 (4) | 0.3676 (4) | 0.0178 (3) | 0.0366 (11) | |
H33D | 0.3176 | 0.4419 | −0.0163 | 0.044* | |
H33E | 0.3062 | 0.3199 | 0.0072 | 0.044* | |
H33F | 0.4298 | 0.3367 | −0.0063 | 0.044* | |
C4 | 0.7574 (5) | 0.1876 (6) | 0.2503 (4) | 0.0702 (18) | |
H4A | 0.8216 | 0.1232 | 0.2728 | 0.084* | |
H4B | 0.7864 | 0.2453 | 0.2151 | 0.084* | |
H4C | 0.7107 | 0.1659 | 0.2080 | 0.084* | |
C5 | 0.6895 (5) | 0.2291 (5) | 0.3304 (5) | 0.0625 (16) | |
N4 | 0.6361 (6) | 0.2601 (6) | 0.3922 (5) | 0.111 (2) | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Te1A | 0.02189 (15) | 0.01550 (13) | 0.02704 (16) | −0.00353 (11) | −0.00383 (11) | −0.00077 (11) |
Te2A | 0.01948 (14) | 0.01570 (13) | 0.01856 (14) | −0.00509 (11) | −0.00188 (10) | −0.00151 (10) |
Te2B | 0.02357 (15) | 0.01600 (13) | 0.01845 (14) | −0.00604 (11) | −0.00232 (11) | 0.00020 (10) |
Te1B | 0.02582 (15) | 0.01937 (13) | 0.02221 (15) | −0.00889 (12) | −0.00315 (11) | −0.00122 (11) |
I2 | 0.03816 (18) | 0.03006 (15) | 0.02587 (16) | −0.01508 (13) | −0.00761 (12) | 0.00314 (12) |
I1 | 0.03795 (18) | 0.03004 (15) | 0.03790 (18) | −0.01899 (14) | −0.00096 (13) | −0.00130 (12) |
O1A | 0.0271 (15) | 0.0183 (13) | 0.0219 (15) | −0.0074 (12) | 0.0037 (12) | 0.0000 (11) |
O1B | 0.0287 (16) | 0.0177 (13) | 0.0216 (15) | −0.0068 (12) | 0.0007 (12) | −0.0034 (11) |
N1A | 0.026 (2) | 0.0260 (19) | 0.060 (3) | −0.0068 (17) | −0.0151 (19) | 0.0123 (18) |
N2A | 0.0233 (18) | 0.0223 (17) | 0.0231 (18) | −0.0045 (15) | −0.0009 (14) | −0.0051 (14) |
N3A | 0.0215 (18) | 0.0181 (16) | 0.0190 (17) | −0.0038 (14) | −0.0007 (14) | −0.0027 (13) |
N1B | 0.050 (2) | 0.0256 (18) | 0.028 (2) | −0.0210 (18) | −0.0097 (17) | 0.0029 (15) |
N2B | 0.0219 (18) | 0.0205 (16) | 0.0278 (19) | −0.0059 (15) | −0.0022 (15) | −0.0036 (14) |
N3B | 0.0258 (19) | 0.0224 (17) | 0.0297 (19) | −0.0094 (15) | −0.0007 (15) | −0.0066 (15) |
C10A | 0.022 (2) | 0.036 (2) | 0.043 (3) | −0.004 (2) | −0.009 (2) | 0.001 (2) |
C11A | 0.050 (3) | 0.056 (3) | 0.053 (3) | −0.003 (3) | −0.014 (3) | 0.007 (3) |
C12A | 0.033 (3) | 0.057 (3) | 0.081 (4) | −0.015 (3) | −0.015 (3) | 0.002 (3) |
C13A | 0.031 (3) | 0.057 (3) | 0.092 (5) | −0.002 (3) | −0.007 (3) | −0.028 (3) |
C20A | 0.033 (2) | 0.034 (2) | 0.027 (2) | −0.008 (2) | 0.0007 (19) | −0.0125 (19) |
C21A | 0.045 (3) | 0.039 (3) | 0.033 (3) | −0.005 (2) | −0.009 (2) | −0.016 (2) |
C22A | 0.053 (3) | 0.042 (3) | 0.054 (3) | 0.007 (3) | −0.015 (3) | −0.029 (3) |
C23A | 0.080 (4) | 0.102 (5) | 0.054 (4) | −0.051 (4) | 0.041 (3) | −0.043 (3) |
C30A | 0.028 (2) | 0.026 (2) | 0.017 (2) | −0.0063 (19) | 0.0014 (17) | −0.0020 (17) |
C31A | 0.035 (3) | 0.031 (2) | 0.025 (2) | −0.006 (2) | 0.0057 (19) | −0.0036 (18) |
C32A | 0.043 (3) | 0.035 (2) | 0.024 (2) | −0.005 (2) | −0.003 (2) | −0.0002 (19) |
C33A | 0.051 (3) | 0.035 (2) | 0.028 (2) | −0.015 (2) | −0.005 (2) | −0.012 (2) |
C10B | 0.041 (3) | 0.024 (2) | 0.024 (2) | −0.013 (2) | −0.0085 (19) | 0.0002 (18) |
C11B | 0.049 (3) | 0.034 (3) | 0.046 (3) | −0.006 (2) | −0.019 (2) | 0.001 (2) |
C12B | 0.050 (3) | 0.040 (3) | 0.035 (3) | −0.013 (2) | −0.003 (2) | −0.007 (2) |
C13B | 0.056 (3) | 0.037 (3) | 0.039 (3) | −0.027 (2) | −0.008 (2) | −0.002 (2) |
C20B | 0.023 (2) | 0.022 (2) | 0.023 (2) | −0.0042 (18) | −0.0019 (17) | −0.0040 (17) |
C21B | 0.034 (3) | 0.030 (2) | 0.026 (2) | −0.012 (2) | 0.0033 (19) | −0.0060 (18) |
C22B | 0.029 (2) | 0.034 (2) | 0.030 (2) | −0.002 (2) | 0.0017 (19) | −0.0025 (19) |
C23B | 0.026 (2) | 0.033 (2) | 0.044 (3) | −0.009 (2) | 0.003 (2) | −0.015 (2) |
C30B | 0.024 (2) | 0.030 (2) | 0.037 (3) | −0.009 (2) | 0.0031 (19) | −0.0067 (19) |
C31B | 0.030 (3) | 0.047 (3) | 0.063 (3) | −0.018 (2) | 0.011 (2) | −0.013 (3) |
C32B | 0.023 (2) | 0.034 (2) | 0.053 (3) | −0.002 (2) | −0.001 (2) | −0.003 (2) |
C33B | 0.035 (3) | 0.037 (2) | 0.039 (3) | −0.015 (2) | 0.012 (2) | −0.009 (2) |
C4 | 0.052 (4) | 0.104 (5) | 0.052 (4) | −0.027 (4) | 0.006 (3) | −0.002 (3) |
C5 | 0.057 (4) | 0.086 (4) | 0.056 (4) | −0.038 (4) | 0.002 (3) | −0.013 (3) |
N4 | 0.112 (6) | 0.140 (6) | 0.098 (5) | −0.053 (5) | 0.037 (4) | −0.054 (5) |
Geometric parameters (Å, º) top
Te1A—N2A | 1.951 (3) | C30A—C32A | 1.540 (5) |
Te1A—N1A | 1.978 (4) | C31A—H31A | 0.9800 |
Te1A—N3A | 1.995 (3) | C31A—H31B | 0.9800 |
Te1A—Te2A | 3.1255 (14) | C31A—H31C | 0.9800 |
Te2A—O1A | 1.920 (3) | C32A—H32A | 0.9800 |
Te2A—N3A | 2.050 (3) | C32A—H32B | 0.9800 |
Te2A—O1B | 2.069 (2) | C32A—H32C | 0.9800 |
Te2A—N2A | 2.104 (3) | C33A—H33A | 0.9800 |
Te2A—Te2B | 3.1183 (8) | C33A—H33B | 0.9800 |
Te2B—O1B | 1.918 (3) | C33A—H33C | 0.9800 |
Te2B—N3B | 2.034 (3) | C10B—C13B | 1.516 (6) |
Te2B—O1A | 2.098 (3) | C10B—C11B | 1.520 (6) |
Te2B—N2B | 2.119 (3) | C10B—C12B | 1.529 (6) |
Te2B—Te1B | 3.1407 (8) | C11B—H11D | 0.9800 |
Te1B—N2B | 1.963 (3) | C11B—H11E | 0.9800 |
Te1B—N1B | 1.975 (3) | C11B—H11F | 0.9800 |
Te1B—N3B | 2.013 (3) | C12B—H12D | 0.9800 |
N1A—C10A | 1.473 (5) | C12B—H12E | 0.9800 |
N1A—H1A | 0.8800 | C12B—H12F | 0.9800 |
N2A—C20A | 1.492 (5) | C13B—H13D | 0.9800 |
N3A—C30A | 1.509 (5) | C13B—H13E | 0.9800 |
N1B—C10B | 1.470 (5) | C13B—H13F | 0.9800 |
N1B—H1B | 0.8800 | C20B—C22B | 1.523 (5) |
N2B—C20B | 1.499 (5) | C20B—C21B | 1.525 (5) |
N3B—C30B | 1.518 (5) | C20B—C23B | 1.529 (6) |
C10A—C12A | 1.498 (7) | C21B—H21D | 0.9800 |
C10A—C11A | 1.528 (7) | C21B—H21E | 0.9800 |
C10A—C13A | 1.528 (7) | C21B—H21F | 0.9800 |
C11A—H11A | 0.9800 | C22B—H22D | 0.9800 |
C11A—H11B | 0.9800 | C22B—H22E | 0.9800 |
C11A—H11C | 0.9800 | C22B—H22F | 0.9800 |
C12A—H12A | 0.9800 | C23B—H23D | 0.9800 |
C12A—H12B | 0.9800 | C23B—H23E | 0.9800 |
C12A—H12C | 0.9800 | C23B—H23F | 0.9800 |
C13A—H13A | 0.9800 | C30B—C32B | 1.525 (6) |
C13A—H13B | 0.9800 | C30B—C33B | 1.526 (6) |
C13A—H13C | 0.9800 | C30B—C31B | 1.528 (6) |
C20A—C23A | 1.516 (7) | C31B—H31D | 0.9800 |
C20A—C22A | 1.519 (6) | C31B—H31E | 0.9800 |
C20A—C21A | 1.521 (6) | C31B—H31F | 0.9800 |
C21A—H21A | 0.9800 | C32B—H32D | 0.9800 |
C21A—H21B | 0.9800 | C32B—H32E | 0.9800 |
C21A—H21C | 0.9800 | C32B—H32F | 0.9800 |
C22A—H22A | 0.9800 | C33B—H33D | 0.9800 |
C22A—H22B | 0.9800 | C33B—H33E | 0.9800 |
C22A—H22C | 0.9800 | C33B—H33F | 0.9800 |
C23A—H23A | 0.9800 | C4—C5 | 1.426 (9) |
C23A—H23B | 0.9800 | C4—H4A | 0.9800 |
C23A—H23C | 0.9800 | C4—H4B | 0.9800 |
C30A—C33A | 1.522 (6) | C4—H4C | 0.9800 |
C30A—C31A | 1.524 (6) | C5—N4 | 1.102 (8) |
| | | |
N2A—Te1A—N1A | 98.69 (15) | N3A—C30A—C32A | 109.1 (3) |
N2A—Te1A—N3A | 78.31 (13) | C33A—C30A—C32A | 109.2 (3) |
N1A—Te1A—N3A | 95.78 (14) | C31A—C30A—C32A | 108.4 (3) |
N1A—Te1A—Te2A | 111.52 (10) | C30A—C31A—H31A | 109.5 |
O1A—Te2A—N3A | 108.84 (12) | C30A—C31A—H31B | 109.5 |
O1A—Te2A—O1B | 76.48 (11) | H31A—C31A—H31B | 109.5 |
N3A—Te2A—O1B | 86.14 (11) | C30A—C31A—H31C | 109.5 |
O1A—Te2A—N2A | 85.16 (12) | H31A—C31A—H31C | 109.5 |
N3A—Te2A—N2A | 73.70 (12) | H31B—C31A—H31C | 109.5 |
O1B—Te2A—N2A | 146.71 (12) | C30A—C32A—H32A | 109.5 |
N3A—Te2A—Te2B | 106.65 (9) | C30A—C32A—H32B | 109.5 |
N2A—Te2A—Te2B | 124.79 (9) | H32A—C32A—H32B | 109.5 |
O1A—Te2A—Te1A | 108.92 (8) | C30A—C32A—H32C | 109.5 |
O1B—Te2A—Te1A | 124.41 (7) | H32A—C32A—H32C | 109.5 |
Te2B—Te2A—Te1A | 133.25 (2) | H32B—C32A—H32C | 109.5 |
O1B—Te2B—N3B | 106.28 (12) | C30A—C33A—H33A | 109.5 |
O1B—Te2B—O1A | 75.83 (10) | C30A—C33A—H33B | 109.5 |
N3B—Te2B—O1A | 89.50 (12) | H33A—C33A—H33B | 109.5 |
O1B—Te2B—N2B | 84.69 (11) | C30A—C33A—H33C | 109.5 |
N3B—Te2B—N2B | 73.60 (13) | H33A—C33A—H33C | 109.5 |
O1A—Te2B—N2B | 149.56 (11) | H33B—C33A—H33C | 109.5 |
N3B—Te2B—Te2A | 107.65 (9) | N1B—C10B—C13B | 109.4 (3) |
N2B—Te2B—Te2A | 124.25 (9) | N1B—C10B—C11B | 107.4 (3) |
O1B—Te2B—Te1B | 107.75 (8) | C13B—C10B—C11B | 110.4 (4) |
O1A—Te2B—Te1B | 128.06 (7) | N1B—C10B—C12B | 110.3 (4) |
Te2A—Te2B—Te1B | 134.21 (2) | C13B—C10B—C12B | 109.8 (4) |
N2B—Te1B—N1B | 98.88 (14) | C11B—C10B—C12B | 109.5 (4) |
N2B—Te1B—N3B | 77.50 (13) | C10B—C11B—H11D | 109.5 |
N1B—Te1B—N3B | 93.82 (14) | C10B—C11B—H11E | 109.5 |
N1B—Te1B—Te2B | 110.68 (10) | H11D—C11B—H11E | 109.5 |
Te2A—O1A—Te2B | 101.71 (12) | C10B—C11B—H11F | 109.5 |
Te2B—O1B—Te2A | 102.83 (12) | H11D—C11B—H11F | 109.5 |
C10A—N1A—Te1A | 126.5 (3) | H11E—C11B—H11F | 109.5 |
C10A—N1A—H1A | 116.8 | C10B—C12B—H12D | 109.5 |
Te1A—N1A—H1A | 116.8 | C10B—C12B—H12E | 109.5 |
C20A—N2A—Te1A | 126.5 (3) | H12D—C12B—H12E | 109.5 |
C20A—N2A—Te2A | 125.5 (3) | C10B—C12B—H12F | 109.5 |
Te1A—N2A—Te2A | 100.78 (14) | H12D—C12B—H12F | 109.5 |
C30A—N3A—Te1A | 122.5 (2) | H12E—C12B—H12F | 109.5 |
C30A—N3A—Te2A | 126.3 (2) | C10B—C13B—H13D | 109.5 |
Te1A—N3A—Te2A | 101.19 (13) | C10B—C13B—H13E | 109.5 |
C10B—N1B—Te1B | 129.2 (3) | H13D—C13B—H13E | 109.5 |
C10B—N1B—H1B | 115.4 | C10B—C13B—H13F | 109.5 |
Te1B—N1B—H1B | 115.4 | H13D—C13B—H13F | 109.5 |
C20B—N2B—Te1B | 126.2 (2) | H13E—C13B—H13F | 109.5 |
C20B—N2B—Te2B | 124.5 (2) | N2B—C20B—C22B | 112.2 (3) |
Te1B—N2B—Te2B | 100.54 (14) | N2B—C20B—C21B | 107.9 (3) |
C30B—N3B—Te1B | 124.1 (2) | C22B—C20B—C21B | 110.3 (3) |
C30B—N3B—Te2B | 127.3 (2) | N2B—C20B—C23B | 107.5 (3) |
Te1B—N3B—Te2B | 101.78 (15) | C22B—C20B—C23B | 109.9 (3) |
N1A—C10A—C12A | 108.1 (4) | C21B—C20B—C23B | 108.9 (3) |
N1A—C10A—C11A | 109.6 (4) | C20B—C21B—H21D | 109.5 |
C12A—C10A—C11A | 110.9 (4) | C20B—C21B—H21E | 109.5 |
N1A—C10A—C13A | 109.9 (4) | H21D—C21B—H21E | 109.5 |
C12A—C10A—C13A | 111.1 (4) | C20B—C21B—H21F | 109.5 |
C11A—C10A—C13A | 107.3 (4) | H21D—C21B—H21F | 109.5 |
C10A—C11A—H11A | 109.5 | H21E—C21B—H21F | 109.5 |
C10A—C11A—H11B | 109.5 | C20B—C22B—H22D | 109.5 |
H11A—C11A—H11B | 109.5 | C20B—C22B—H22E | 109.5 |
C10A—C11A—H11C | 109.5 | H22D—C22B—H22E | 109.5 |
H11A—C11A—H11C | 109.5 | C20B—C22B—H22F | 109.5 |
H11B—C11A—H11C | 109.5 | H22D—C22B—H22F | 109.5 |
C10A—C12A—H12A | 109.5 | H22E—C22B—H22F | 109.5 |
C10A—C12A—H12B | 109.5 | C20B—C23B—H23D | 109.5 |
H12A—C12A—H12B | 109.5 | C20B—C23B—H23E | 109.5 |
C10A—C12A—H12C | 109.5 | H23D—C23B—H23E | 109.5 |
H12A—C12A—H12C | 109.5 | C20B—C23B—H23F | 109.5 |
H12B—C12A—H12C | 109.5 | H23D—C23B—H23F | 109.5 |
C10A—C13A—H13A | 109.5 | H23E—C23B—H23F | 109.5 |
C10A—C13A—H13B | 109.5 | N3B—C30B—C32B | 106.9 (3) |
H13A—C13A—H13B | 109.5 | N3B—C30B—C33B | 112.3 (3) |
C10A—C13A—H13C | 109.5 | C32B—C30B—C33B | 110.4 (4) |
H13A—C13A—H13C | 109.5 | N3B—C30B—C31B | 108.5 (3) |
H13B—C13A—H13C | 109.5 | C32B—C30B—C31B | 109.6 (4) |
N2A—C20A—C23A | 106.8 (4) | C33B—C30B—C31B | 109.0 (4) |
N2A—C20A—C22A | 110.2 (4) | C30B—C31B—H31D | 109.5 |
C23A—C20A—C22A | 110.6 (4) | C30B—C31B—H31E | 109.5 |
N2A—C20A—C21A | 109.9 (3) | H31D—C31B—H31E | 109.5 |
C23A—C20A—C21A | 110.2 (4) | C30B—C31B—H31F | 109.5 |
C22A—C20A—C21A | 109.1 (4) | H31D—C31B—H31F | 109.5 |
C20A—C21A—H21A | 109.5 | H31E—C31B—H31F | 109.5 |
C20A—C21A—H21B | 109.5 | C30B—C32B—H32D | 109.5 |
H21A—C21A—H21B | 109.5 | C30B—C32B—H32E | 109.5 |
C20A—C21A—H21C | 109.5 | H32D—C32B—H32E | 109.5 |
H21A—C21A—H21C | 109.5 | C30B—C32B—H32F | 109.5 |
H21B—C21A—H21C | 109.5 | H32D—C32B—H32F | 109.5 |
C20A—C22A—H22A | 109.5 | H32E—C32B—H32F | 109.5 |
C20A—C22A—H22B | 109.5 | C30B—C33B—H33D | 109.5 |
H22A—C22A—H22B | 109.5 | C30B—C33B—H33E | 109.5 |
C20A—C22A—H22C | 109.5 | H33D—C33B—H33E | 109.5 |
H22A—C22A—H22C | 109.5 | C30B—C33B—H33F | 109.5 |
H22B—C22A—H22C | 109.5 | H33D—C33B—H33F | 109.5 |
C20A—C23A—H23A | 109.5 | H33E—C33B—H33F | 109.5 |
C20A—C23A—H23B | 109.5 | C5—C4—H4A | 109.5 |
H23A—C23A—H23B | 109.5 | C5—C4—H4B | 109.5 |
C20A—C23A—H23C | 109.5 | H4A—C4—H4B | 109.5 |
H23A—C23A—H23C | 109.5 | C5—C4—H4C | 109.5 |
H23B—C23A—H23C | 109.5 | H4A—C4—H4C | 109.5 |
N3A—C30A—C33A | 107.6 (3) | H4B—C4—H4C | 109.5 |
N3A—C30A—C31A | 112.2 (3) | N4—C5—C4 | 179.0 (8) |
C33A—C30A—C31A | 110.3 (3) | | |
| | | |
N2A—Te1A—Te2A—O1A | −54.05 (17) | N3A—Te2A—N2A—Te1A | 18.53 (13) |
N1A—Te1A—Te2A—O1A | 24.32 (15) | O1B—Te2A—N2A—Te1A | 73.6 (2) |
N3A—Te1A—Te2A—O1A | 96.80 (16) | Te2B—Te2A—N2A—Te1A | 117.76 (10) |
N2A—Te1A—Te2A—N3A | −150.9 (2) | N2A—Te1A—N3A—C30A | 166.6 (3) |
N1A—Te1A—Te2A—N3A | −72.48 (19) | N1A—Te1A—N3A—C30A | −95.7 (3) |
N2A—Te1A—Te2A—O1B | −140.35 (17) | Te2A—Te1A—N3A—C30A | 147.4 (4) |
N1A—Te1A—Te2A—O1B | −61.97 (16) | N2A—Te1A—N3A—Te2A | 19.21 (13) |
N3A—Te1A—Te2A—O1B | 10.51 (17) | N1A—Te1A—N3A—Te2A | 116.92 (15) |
N1A—Te1A—Te2A—N2A | 78.37 (19) | O1A—Te2A—N3A—C30A | 117.3 (3) |
N3A—Te1A—Te2A—N2A | 150.9 (2) | O1B—Te2A—N3A—C30A | 43.0 (3) |
N2A—Te1A—Te2A—Te2B | −93.75 (15) | N2A—Te2A—N3A—C30A | −163.8 (3) |
N1A—Te1A—Te2A—Te2B | −15.37 (13) | Te2B—Te2A—N3A—C30A | 74.0 (3) |
N3A—Te1A—Te2A—Te2B | 57.11 (14) | Te1A—Te2A—N3A—C30A | −145.6 (4) |
O1A—Te2A—Te2B—O1B | −158.72 (17) | O1A—Te2A—N3A—Te1A | −97.02 (14) |
N3A—Te2A—Te2B—O1B | −58.93 (15) | O1B—Te2A—N3A—Te1A | −171.33 (14) |
N2A—Te2A—Te2B—O1B | −140.37 (16) | N2A—Te2A—N3A—Te1A | −18.13 (13) |
Te1A—Te2A—Te2B—O1B | −92.22 (12) | Te2B—Te2A—N3A—Te1A | −140.33 (9) |
O1A—Te2A—Te2B—N3B | −64.15 (15) | N2B—Te1B—N1B—C10B | −135.3 (4) |
N3A—Te2A—Te2B—N3B | 35.65 (14) | N3B—Te1B—N1B—C10B | 146.8 (4) |
O1B—Te2A—Te2B—N3B | 94.58 (16) | Te2B—Te1B—N1B—C10B | −176.6 (3) |
N2A—Te2A—Te2B—N3B | −45.79 (14) | N1B—Te1B—N2B—C20B | 100.5 (3) |
Te1A—Te2A—Te2B—N3B | 2.36 (10) | N3B—Te1B—N2B—C20B | −167.5 (3) |
N3A—Te2A—Te2B—O1A | 99.79 (15) | Te2B—Te1B—N2B—C20B | −148.3 (4) |
O1B—Te2A—Te2B—O1A | 158.72 (17) | N1B—Te1B—N2B—Te2B | −111.25 (15) |
N2A—Te2A—Te2B—O1A | 18.35 (16) | N3B—Te1B—N2B—Te2B | −19.28 (13) |
Te1A—Te2A—Te2B—O1A | 66.50 (12) | O1B—Te2B—N2B—C20B | −82.8 (3) |
O1A—Te2A—Te2B—N2B | −145.99 (16) | N3B—Te2B—N2B—C20B | 168.4 (3) |
N3A—Te2A—Te2B—N2B | −46.20 (14) | O1A—Te2B—N2B—C20B | −132.8 (3) |
O1B—Te2A—Te2B—N2B | 12.73 (16) | Te2A—Te2B—N2B—C20B | −91.1 (3) |
N2A—Te2A—Te2B—N2B | −127.64 (15) | Te1B—Te2B—N2B—C20B | 149.0 (4) |
Te1A—Te2A—Te2B—N2B | −79.49 (11) | O1B—Te2B—N2B—Te1B | 128.15 (14) |
O1A—Te2A—Te2B—Te1B | −98.01 (12) | N3B—Te2B—N2B—Te1B | 19.43 (13) |
N3A—Te2A—Te2B—Te1B | 1.78 (9) | O1A—Te2B—N2B—Te1B | 78.2 (2) |
O1B—Te2A—Te2B—Te1B | 60.71 (12) | Te2A—Te2B—N2B—Te1B | 119.91 (10) |
N2A—Te2A—Te2B—Te1B | −79.66 (11) | N2B—Te1B—N3B—C30B | 173.1 (3) |
Te1A—Te2A—Te2B—Te1B | −31.51 (3) | N1B—Te1B—N3B—C30B | −88.7 (3) |
O1B—Te2B—Te1B—N2B | −55.31 (16) | Te2B—Te1B—N3B—C30B | 152.8 (4) |
N3B—Te2B—Te1B—N2B | −149.4 (2) | N2B—Te1B—N3B—Te2B | 20.22 (14) |
O1A—Te2B—Te1B—N2B | −140.96 (16) | N1B—Te1B—N3B—Te2B | 118.48 (16) |
Te2A—Te2B—Te1B—N2B | −91.64 (14) | O1B—Te2B—N3B—C30B | 110.1 (3) |
O1B—Te2B—Te1B—N1B | 24.50 (15) | O1A—Te2B—N3B—C30B | 35.0 (3) |
N3B—Te2B—Te1B—N1B | −69.63 (19) | N2B—Te2B—N3B—C30B | −170.6 (3) |
O1A—Te2B—Te1B—N1B | −61.15 (15) | Te2A—Te2B—N3B—C30B | 67.9 (3) |
N2B—Te2B—Te1B—N1B | 79.81 (18) | Te1B—Te2B—N3B—C30B | −151.6 (4) |
Te2A—Te2B—Te1B—N1B | −11.83 (12) | O1B—Te2B—N3B—Te1B | −98.26 (14) |
O1B—Te2B—Te1B—N3B | 94.13 (17) | O1A—Te2B—N3B—Te1B | −173.34 (13) |
O1A—Te2B—Te1B—N3B | 8.48 (17) | N2B—Te2B—N3B—Te1B | −19.01 (13) |
N2B—Te2B—Te1B—N3B | 149.4 (2) | Te2A—Te2B—N3B—Te1B | −140.47 (10) |
Te2A—Te2B—Te1B—N3B | 57.80 (15) | Te1A—N1A—C10A—C12A | 175.4 (4) |
N3A—Te2A—O1A—Te2B | −94.01 (13) | Te1A—N1A—C10A—C11A | −63.6 (5) |
O1B—Te2A—O1A—Te2B | −12.94 (10) | Te1A—N1A—C10A—C13A | 54.0 (5) |
N2A—Te2A—O1A—Te2B | −164.96 (13) | Te1A—N2A—C20A—C23A | −116.0 (4) |
Te1A—Te2A—O1A—Te2B | −135.08 (7) | Te2A—N2A—C20A—C23A | 99.4 (4) |
O1B—Te2B—O1A—Te2A | 14.01 (11) | Te1A—N2A—C20A—C22A | 4.2 (5) |
N3B—Te2B—O1A—Te2A | 120.95 (13) | Te2A—N2A—C20A—C22A | −140.4 (3) |
N2B—Te2B—O1A—Te2A | 65.8 (3) | Te1A—N2A—C20A—C21A | 124.5 (3) |
Te1B—Te2B—O1A—Te2A | 115.65 (9) | Te2A—N2A—C20A—C21A | −20.1 (5) |
N3B—Te2B—O1B—Te2A | −98.27 (13) | Te1A—N3A—C30A—C33A | 128.0 (3) |
O1A—Te2B—O1B—Te2A | −13.04 (10) | Te2A—N3A—C30A—C33A | −93.0 (4) |
N2B—Te2B—O1B—Te2A | −169.46 (13) | Te1A—N3A—C30A—C31A | −110.5 (3) |
Te1B—Te2B—O1B—Te2A | −138.98 (8) | Te2A—N3A—C30A—C31A | 28.4 (4) |
O1A—Te2A—O1B—Te2B | 14.23 (11) | Te1A—N3A—C30A—C32A | 9.6 (4) |
N3A—Te2A—O1B—Te2B | 124.66 (14) | Te2A—N3A—C30A—C32A | 148.6 (3) |
N2A—Te2A—O1B—Te2B | 72.6 (2) | Te1B—N1B—C10B—C13B | −35.4 (5) |
Te1A—Te2A—O1B—Te2B | 118.09 (8) | Te1B—N1B—C10B—C11B | −155.2 (3) |
N2A—Te1A—N1A—C10A | −134.5 (4) | Te1B—N1B—C10B—C12B | 85.5 (4) |
N3A—Te1A—N1A—C10A | 146.5 (4) | Te1B—N2B—C20B—C22B | 61.6 (4) |
Te2A—Te1A—N1A—C10A | −175.4 (3) | Te2B—N2B—C20B—C22B | −79.5 (4) |
N1A—Te1A—N2A—C20A | 95.9 (3) | Te1B—N2B—C20B—C21B | −60.1 (4) |
N3A—Te1A—N2A—C20A | −170.0 (3) | Te2B—N2B—C20B—C21B | 158.7 (3) |
Te2A—Te1A—N2A—C20A | −151.3 (4) | Te1B—N2B—C20B—C23B | −177.4 (3) |
N1A—Te1A—N2A—Te2A | −112.81 (15) | Te2B—N2B—C20B—C23B | 41.5 (4) |
N3A—Te1A—N2A—Te2A | −18.66 (13) | Te1B—N3B—C30B—C32B | 124.4 (3) |
O1A—Te2A—N2A—C20A | −78.5 (3) | Te2B—N3B—C30B—C32B | −89.8 (4) |
N3A—Te2A—N2A—C20A | 170.3 (3) | Te1B—N3B—C30B—C33B | −114.3 (3) |
O1B—Te2A—N2A—C20A | −134.7 (3) | Te2B—N3B—C30B—C33B | 31.5 (5) |
Te2B—Te2A—N2A—C20A | −90.5 (3) | Te1B—N3B—C30B—C31B | 6.3 (5) |
Te1A—Te2A—N2A—C20A | 151.7 (4) | Te2B—N3B—C30B—C31B | 152.1 (3) |
O1A—Te2A—N2A—Te1A | 129.77 (14) | | |
Subscribe to Acta Crystallographica Section E: Crystallographic Communications
The full text of this article is available to subscribers to the journal.
If you have already registered and are using a computer listed in your registration details, please email
support@iucr.org for assistance.