Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805018714/hb6185sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536805018714/hb6185IIsup2.hkl |
CCDC reference: 277253
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).
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 |
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 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) |
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. |
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) |
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) |
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) |