The structure of (C
18H
15Sb)
3TeO
6, contains a [TeO
6] octahedral unit linked to three trigonal–bipyramidal [SbC
3O
2] units
via pairs of bridging O atoms to form a discrete molecular unit. The packing of the units is dominated by C—H

O hydrogen bonding and weak dispersion forces, with a minor contribution from C—H

π bonds and π–π stacking interactions.
Supporting information
CCDC reference: 2118082
Key indicators
- Single-crystal X-ray study
- T = 173 K
- Mean
(C-C) = 0.009 Å
- R factor = 0.038
- wR factor = 0.096
- Data-to-parameter ratio = 18.6
checkCIF/PLATON results
No syntax errors found
Alert level C
PLAT220_ALERT_2_C NonSolvent Resd 1 C Ueq(max)/Ueq(min) Range 3.2 Ratio
PLAT241_ALERT_2_C High 'MainMol' Ueq as Compared to Neighbors of C29 Check
PLAT241_ALERT_2_C High 'MainMol' Ueq as Compared to Neighbors of C39 Check
PLAT242_ALERT_2_C Low 'MainMol' Ueq as Compared to Neighbors of C25 Check
PLAT342_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.00867 Ang.
PLAT480_ALERT_4_C Long H...A H-Bond Reported H21 ..O4 . 2.75 Ang.
PLAT480_ALERT_4_C Long H...A H-Bond Reported H46 ..O6 . 2.67 Ang.
PLAT480_ALERT_4_C Long H...A H-Bond Reported H47 ..O6 . 2.73 Ang.
PLAT480_ALERT_4_C Long H...A H-Bond Reported H47 ..O2 . 2.70 Ang.
PLAT906_ALERT_3_C Large K Value in the Analysis of Variance ...... 3.831 Check
PLAT911_ALERT_3_C Missing FCF Refl Between Thmin & STh/L= 0.600 18 Report
PLAT978_ALERT_2_C Number C-C Bonds with Positive Residual Density. 0 Info
Alert level G
PLAT128_ALERT_4_G Alternate Setting for Input Space Group C2/c I2/a Note
PLAT910_ALERT_3_G Missing # of FCF Reflection(s) Below Theta(Min). 4 Note
PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 61 Note
0 ALERT level A = Most likely a serious problem - resolve or explain
0 ALERT level B = A potentially serious problem, consider carefully
12 ALERT level C = Check. Ensure it is not caused by an omission or oversight
3 ALERT level G = General information/check it is not something unexpected
0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
5 ALERT type 2 Indicator that the structure model may be wrong or deficient
4 ALERT type 3 Indicator that the structure quality may be low
6 ALERT type 4 Improvement, methodology, query or suggestion
0 ALERT type 5 Informative message, check
Data collection: IPDS Software (Stoe & Cie, 2000); cell refinement: IPDS Software (Stoe & Cie, 2000); data reduction: IPDS Software (Stoe & Cie, 2000); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL2018/1 (Sheldrick, 2015); molecular graphics: DIAMOND (Brandenburg, 1999); software used to prepare material for publication: WinGX (Farrugia, 2012).
Hexa-µ-oxido-1:2
κ4O:
O;1:3
κ4O:
O;1:4
κ4O:
O-nonaphenyl-2
κ3C,3
κ3C,4
κ3C-triantimony(V)tellurium(VI)
top
Crystal data top
[Sb3Te(C6H5)9O6] | F(000) = 4976 |
Mr = 1282.75 | Dx = 1.762 Mg m−3 |
Monoclinic, C2/c | Mo Kα radiation, λ = 0.71073 Å |
a = 47.714 (2) Å | Cell parameters from 8000 reflections |
b = 9.1176 (4) Å | θ = 2.2–27.2° |
c = 22.9324 (10) Å | µ = 2.31 mm−1 |
β = 104.168 (4)° | T = 173 K |
V = 9672.9 (8) Å3 | Prism, colorless |
Z = 8 | 0.28 × 0.22 × 0.21 mm |
Data collection top
Stoe IPDS diffractometer | 8356 reflections with I > 2σ(I) |
Radiation source: fine-focus sealed tube | Rint = 0.053 |
φ oscillation scans | θmax = 27.2°, θmin = 2.2° |
Absorption correction: numerical [X-RED (Stoe & Cie, 2001) and X-SHAPE (Stoe & Cie, 1999)] | h = −61→61 |
Tmin = 0.499, Tmax = 0.572 | k = −11→11 |
29796 measured reflections | l = −22→29 |
10754 independent reflections | |
Refinement top
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.038 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.096 | H-atom parameters constrained |
S = 0.93 | w = 1/[σ2(Fo2) + (0.0636P)2] where P = (Fo2 + 2Fc2)/3 |
10754 reflections | (Δ/σ)max = 0.001 |
577 parameters | Δρmax = 1.00 e Å−3 |
0 restraints | Δρmin = −1.24 e Å−3 |
Special details top
Geometry. All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | |
Te1 | 0.11716 (2) | 0.68140 (3) | 0.04796 (2) | 0.02091 (7) | |
Sb1 | 0.07040 (2) | 0.57473 (3) | −0.06047 (2) | 0.02250 (7) | |
Sb2 | 0.17996 (2) | 0.60629 (3) | 0.04935 (2) | 0.02511 (8) | |
Sb3 | 0.11281 (2) | 0.81559 (3) | 0.16789 (2) | 0.02307 (8) | |
O1 | 0.10263 (7) | 0.7188 (3) | −0.03781 (13) | 0.0251 (6) | |
O2 | 0.08497 (7) | 0.5513 (3) | 0.03277 (13) | 0.0242 (6) | |
O3 | 0.14157 (7) | 0.5152 (3) | 0.03645 (14) | 0.0272 (7) | |
O4 | 0.15241 (7) | 0.7840 (3) | 0.04941 (14) | 0.0259 (6) | |
O5 | 0.09873 (7) | 0.8455 (3) | 0.07399 (13) | 0.0242 (6) | |
O6 | 0.12791 (7) | 0.6419 (3) | 0.13479 (13) | 0.0256 (6) | |
C1 | 0.02873 (10) | 0.6340 (5) | −0.0526 (2) | 0.0283 (9) | |
C2 | 0.02482 (13) | 0.7519 (6) | −0.0164 (3) | 0.0481 (14) | |
H2 | 0.040997 | 0.806533 | 0.005257 | 0.058* | |
C3 | −0.00268 (15) | 0.7882 (7) | −0.0124 (3) | 0.0578 (17) | |
H3 | −0.005373 | 0.870350 | 0.011127 | 0.069* | |
C4 | −0.02669 (13) | 0.7065 (7) | −0.0423 (3) | 0.0523 (16) | |
H4 | −0.045521 | 0.731029 | −0.038595 | 0.063* | |
C5 | −0.02249 (12) | 0.5895 (7) | −0.0773 (3) | 0.0491 (14) | |
H5 | −0.038624 | 0.533456 | −0.098183 | 0.059* | |
C6 | 0.00518 (11) | 0.5525 (6) | −0.0826 (2) | 0.0392 (12) | |
H6 | 0.007804 | 0.471373 | −0.106653 | 0.047* | |
C7 | 0.06772 (10) | 0.6452 (5) | −0.15228 (19) | 0.0279 (9) | |
C8 | 0.04299 (14) | 0.7081 (8) | −0.1870 (3) | 0.0572 (17) | |
H8 | 0.026270 | 0.718276 | −0.171824 | 0.069* | |
C9 | 0.04280 (16) | 0.7567 (10) | −0.2448 (3) | 0.075 (2) | |
H9 | 0.025760 | 0.799698 | −0.269074 | 0.090* | |
C10 | 0.06683 (17) | 0.7434 (9) | −0.2672 (3) | 0.065 (2) | |
H10 | 0.066485 | 0.775560 | −0.306753 | 0.078* | |
C11 | 0.09166 (15) | 0.6821 (7) | −0.2310 (3) | 0.0541 (16) | |
H11 | 0.108536 | 0.673533 | −0.245738 | 0.065* | |
C12 | 0.09213 (13) | 0.6338 (7) | −0.1741 (2) | 0.0453 (13) | |
H12 | 0.109299 | 0.592438 | −0.149739 | 0.054* | |
C13 | 0.07579 (10) | 0.3464 (5) | −0.0738 (2) | 0.0253 (9) | |
C14 | 0.06436 (11) | 0.2885 (5) | −0.1306 (2) | 0.0332 (11) | |
H14 | 0.055396 | 0.351604 | −0.162692 | 0.040* | |
C15 | 0.06591 (12) | 0.1384 (5) | −0.1409 (2) | 0.0381 (12) | |
H15 | 0.057839 | 0.098566 | −0.179658 | 0.046* | |
C16 | 0.07947 (13) | 0.0479 (5) | −0.0935 (3) | 0.0418 (13) | |
H16 | 0.080622 | −0.054577 | −0.100017 | 0.050* | |
C17 | 0.09124 (13) | 0.1054 (5) | −0.0373 (2) | 0.0392 (12) | |
H17 | 0.100771 | 0.042865 | −0.005505 | 0.047* | |
C18 | 0.08920 (12) | 0.2546 (5) | −0.0271 (2) | 0.0351 (11) | |
H18 | 0.097003 | 0.293822 | 0.011831 | 0.042* | |
C19 | 0.19842 (11) | 0.3885 (5) | 0.0503 (2) | 0.0339 (11) | |
C20 | 0.17987 (13) | 0.2677 (5) | 0.0376 (2) | 0.0398 (12) | |
H20 | 0.159550 | 0.282526 | 0.028564 | 0.048* | |
C21 | 0.19088 (16) | 0.1249 (7) | 0.0382 (3) | 0.0596 (18) | |
H21 | 0.178264 | 0.042909 | 0.029335 | 0.071* | |
C22 | 0.22051 (19) | 0.1063 (7) | 0.0519 (4) | 0.074 (2) | |
H22 | 0.228237 | 0.010132 | 0.052558 | 0.089* | |
C23 | 0.23914 (15) | 0.2243 (8) | 0.0646 (3) | 0.0610 (19) | |
H23 | 0.259449 | 0.209139 | 0.073495 | 0.073* | |
C24 | 0.22796 (13) | 0.3664 (7) | 0.0644 (3) | 0.0454 (13) | |
H24 | 0.240714 | 0.447647 | 0.074062 | 0.054* | |
C25 | 0.19205 (10) | 0.7018 (5) | −0.0260 (2) | 0.0296 (10) | |
C26 | 0.21692 (14) | 0.6580 (8) | −0.0415 (3) | 0.0564 (17) | |
H26 | 0.228689 | 0.583115 | −0.019206 | 0.068* | |
C27 | 0.22468 (14) | 0.7237 (9) | −0.0897 (3) | 0.0628 (19) | |
H27 | 0.242017 | 0.694453 | −0.099821 | 0.075* | |
C28 | 0.20786 (15) | 0.8293 (7) | −0.1229 (3) | 0.0537 (16) | |
H28 | 0.213614 | 0.875525 | −0.155249 | 0.064* | |
C29 | 0.18223 (19) | 0.8685 (9) | −0.1089 (3) | 0.073 (2) | |
H29 | 0.169940 | 0.939138 | −0.132870 | 0.088* | |
C30 | 0.17436 (15) | 0.8053 (7) | −0.0601 (3) | 0.0571 (17) | |
H30 | 0.156880 | 0.833491 | −0.050383 | 0.068* | |
C31 | 0.20271 (10) | 0.6711 (6) | 0.1384 (2) | 0.0324 (10) | |
C32 | 0.21543 (12) | 0.5654 (7) | 0.1800 (2) | 0.0436 (13) | |
H32 | 0.215506 | 0.465302 | 0.168523 | 0.052* | |
C33 | 0.22812 (15) | 0.6083 (9) | 0.2390 (3) | 0.0637 (19) | |
H33 | 0.237072 | 0.537143 | 0.267874 | 0.076* | |
C34 | 0.22770 (15) | 0.7527 (10) | 0.2555 (3) | 0.071 (2) | |
H34 | 0.236135 | 0.780978 | 0.295823 | 0.085* | |
C35 | 0.21508 (13) | 0.8571 (8) | 0.2136 (3) | 0.0560 (16) | |
H35 | 0.215294 | 0.957248 | 0.225207 | 0.067* | |
C36 | 0.20219 (12) | 0.8174 (6) | 0.1554 (3) | 0.0425 (13) | |
H36 | 0.193028 | 0.889105 | 0.127008 | 0.051* | |
C37 | 0.13421 (11) | 0.7432 (5) | 0.2576 (2) | 0.0302 (10) | |
C38 | 0.15596 (16) | 0.6418 (7) | 0.2671 (3) | 0.0572 (18) | |
H38 | 0.162176 | 0.601976 | 0.234131 | 0.069* | |
C39 | 0.1691 (2) | 0.5966 (8) | 0.3264 (3) | 0.079 (3) | |
H39 | 0.183498 | 0.522309 | 0.332976 | 0.095* | |
C40 | 0.16135 (16) | 0.6588 (8) | 0.3746 (3) | 0.0568 (17) | |
H40 | 0.170279 | 0.628873 | 0.414496 | 0.068* | |
C41 | 0.14045 (14) | 0.7650 (7) | 0.3639 (2) | 0.0484 (14) | |
H41 | 0.135249 | 0.810505 | 0.397014 | 0.058* | |
C42 | 0.12681 (13) | 0.8076 (6) | 0.3065 (2) | 0.0428 (13) | |
H42 | 0.112290 | 0.881184 | 0.300325 | 0.051* | |
C43 | 0.12967 (10) | 1.0318 (5) | 0.1727 (2) | 0.0273 (9) | |
C44 | 0.15430 (12) | 1.0674 (5) | 0.2163 (3) | 0.0393 (12) | |
H44 | 0.163334 | 0.996960 | 0.245419 | 0.047* | |
C45 | 0.16574 (14) | 1.2099 (6) | 0.2169 (3) | 0.0506 (15) | |
H45 | 0.183074 | 1.235275 | 0.245520 | 0.061* | |
C46 | 0.15185 (13) | 1.3118 (6) | 0.1761 (3) | 0.0442 (13) | |
H46 | 0.160002 | 1.406821 | 0.176095 | 0.053* | |
C47 | 0.12629 (14) | 1.2793 (5) | 0.1352 (2) | 0.0421 (13) | |
H47 | 0.116082 | 1.353112 | 0.109215 | 0.050* | |
C48 | 0.11567 (12) | 1.1371 (5) | 0.1323 (2) | 0.0341 (11) | |
H48 | 0.098727 | 1.111817 | 0.102554 | 0.041* | |
C49 | 0.06918 (10) | 0.8064 (5) | 0.1725 (2) | 0.0313 (10) | |
C50 | 0.04935 (12) | 0.9103 (6) | 0.1435 (3) | 0.0455 (13) | |
H50 | 0.055228 | 0.985429 | 0.120348 | 0.055* | |
C51 | 0.02094 (13) | 0.9043 (8) | 0.1483 (3) | 0.0571 (17) | |
H51 | 0.007406 | 0.975992 | 0.128787 | 0.069* | |
C52 | 0.01240 (14) | 0.7942 (9) | 0.1813 (3) | 0.0604 (19) | |
H52 | −0.006883 | 0.791890 | 0.185752 | 0.072* | |
C53 | 0.03177 (14) | 0.6876 (8) | 0.2080 (3) | 0.0540 (17) | |
H53 | 0.025482 | 0.608218 | 0.228399 | 0.065* | |
C54 | 0.06031 (13) | 0.6957 (6) | 0.2051 (2) | 0.0416 (12) | |
H54 | 0.073856 | 0.625189 | 0.225552 | 0.050* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Te1 | 0.02428 (14) | 0.01463 (12) | 0.02401 (14) | 0.00024 (9) | 0.00627 (11) | 0.00027 (9) |
Sb1 | 0.02552 (14) | 0.01608 (13) | 0.02517 (15) | 0.00021 (10) | 0.00482 (11) | 0.00089 (10) |
Sb2 | 0.02550 (15) | 0.02110 (14) | 0.02942 (16) | 0.00203 (10) | 0.00803 (12) | 0.00078 (11) |
Sb3 | 0.02859 (15) | 0.01667 (13) | 0.02517 (15) | −0.00063 (10) | 0.00892 (11) | 0.00024 (10) |
O1 | 0.0306 (16) | 0.0175 (13) | 0.0268 (15) | −0.0019 (12) | 0.0061 (12) | 0.0028 (12) |
O2 | 0.0329 (16) | 0.0194 (14) | 0.0204 (14) | −0.0021 (12) | 0.0070 (12) | 0.0023 (11) |
O3 | 0.0292 (16) | 0.0177 (14) | 0.0353 (17) | 0.0009 (12) | 0.0088 (13) | −0.0024 (12) |
O4 | 0.0295 (16) | 0.0148 (13) | 0.0338 (17) | −0.0025 (12) | 0.0084 (13) | −0.0003 (12) |
O5 | 0.0320 (16) | 0.0166 (13) | 0.0258 (15) | 0.0045 (12) | 0.0104 (13) | −0.0015 (11) |
O6 | 0.0323 (17) | 0.0184 (14) | 0.0259 (15) | 0.0011 (12) | 0.0068 (13) | −0.0033 (12) |
C1 | 0.030 (2) | 0.023 (2) | 0.032 (2) | 0.0038 (18) | 0.0075 (19) | 0.0069 (18) |
C2 | 0.042 (3) | 0.036 (3) | 0.069 (4) | 0.005 (2) | 0.019 (3) | −0.013 (3) |
C3 | 0.054 (4) | 0.049 (3) | 0.078 (5) | 0.017 (3) | 0.031 (3) | −0.002 (3) |
C4 | 0.037 (3) | 0.065 (4) | 0.061 (4) | 0.015 (3) | 0.023 (3) | 0.020 (3) |
C5 | 0.029 (3) | 0.068 (4) | 0.050 (3) | −0.006 (3) | 0.009 (2) | 0.008 (3) |
C6 | 0.032 (3) | 0.047 (3) | 0.038 (3) | −0.006 (2) | 0.008 (2) | −0.003 (2) |
C7 | 0.037 (3) | 0.026 (2) | 0.020 (2) | −0.0048 (18) | 0.0071 (18) | 0.0057 (17) |
C8 | 0.045 (3) | 0.075 (4) | 0.048 (3) | 0.000 (3) | 0.002 (3) | 0.030 (3) |
C9 | 0.056 (4) | 0.108 (6) | 0.051 (4) | −0.005 (4) | −0.003 (3) | 0.042 (4) |
C10 | 0.078 (5) | 0.076 (5) | 0.039 (3) | −0.011 (4) | 0.010 (3) | 0.023 (3) |
C11 | 0.063 (4) | 0.064 (4) | 0.043 (3) | −0.006 (3) | 0.028 (3) | 0.007 (3) |
C12 | 0.049 (3) | 0.055 (3) | 0.034 (3) | 0.007 (3) | 0.015 (2) | 0.010 (3) |
C13 | 0.030 (2) | 0.0191 (19) | 0.027 (2) | 0.0001 (16) | 0.0080 (18) | −0.0004 (17) |
C14 | 0.035 (3) | 0.023 (2) | 0.039 (3) | 0.0023 (19) | 0.003 (2) | −0.0012 (19) |
C15 | 0.049 (3) | 0.025 (2) | 0.037 (3) | −0.001 (2) | 0.003 (2) | −0.006 (2) |
C16 | 0.060 (3) | 0.017 (2) | 0.052 (3) | 0.001 (2) | 0.020 (3) | −0.003 (2) |
C17 | 0.064 (4) | 0.023 (2) | 0.031 (3) | 0.011 (2) | 0.014 (2) | 0.0077 (19) |
C18 | 0.050 (3) | 0.026 (2) | 0.029 (2) | 0.006 (2) | 0.011 (2) | 0.0035 (19) |
C19 | 0.043 (3) | 0.025 (2) | 0.039 (3) | 0.014 (2) | 0.020 (2) | 0.0072 (19) |
C20 | 0.050 (3) | 0.026 (2) | 0.047 (3) | 0.011 (2) | 0.020 (2) | 0.006 (2) |
C21 | 0.077 (5) | 0.028 (3) | 0.081 (5) | 0.020 (3) | 0.032 (4) | 0.008 (3) |
C22 | 0.099 (6) | 0.036 (3) | 0.102 (6) | 0.032 (4) | 0.053 (5) | 0.025 (4) |
C23 | 0.055 (4) | 0.066 (4) | 0.072 (4) | 0.037 (3) | 0.035 (3) | 0.022 (4) |
C24 | 0.045 (3) | 0.047 (3) | 0.048 (3) | 0.019 (3) | 0.016 (3) | 0.006 (3) |
C25 | 0.031 (2) | 0.029 (2) | 0.031 (2) | −0.0031 (18) | 0.0125 (19) | −0.0010 (18) |
C26 | 0.046 (3) | 0.075 (4) | 0.057 (4) | 0.023 (3) | 0.030 (3) | 0.027 (3) |
C27 | 0.042 (3) | 0.097 (5) | 0.056 (4) | 0.010 (3) | 0.024 (3) | 0.025 (4) |
C28 | 0.058 (4) | 0.064 (4) | 0.046 (3) | −0.010 (3) | 0.026 (3) | 0.007 (3) |
C29 | 0.095 (6) | 0.082 (5) | 0.054 (4) | 0.036 (5) | 0.043 (4) | 0.034 (4) |
C30 | 0.063 (4) | 0.059 (4) | 0.058 (4) | 0.025 (3) | 0.032 (3) | 0.024 (3) |
C31 | 0.023 (2) | 0.043 (3) | 0.028 (2) | −0.0029 (19) | 0.0010 (18) | −0.004 (2) |
C32 | 0.041 (3) | 0.053 (3) | 0.034 (3) | 0.010 (2) | 0.003 (2) | 0.004 (2) |
C33 | 0.058 (4) | 0.091 (5) | 0.034 (3) | 0.020 (4) | −0.005 (3) | 0.005 (3) |
C34 | 0.051 (4) | 0.105 (6) | 0.045 (4) | 0.005 (4) | −0.009 (3) | −0.027 (4) |
C35 | 0.039 (3) | 0.066 (4) | 0.057 (4) | −0.004 (3) | 0.000 (3) | −0.023 (3) |
C36 | 0.033 (3) | 0.042 (3) | 0.051 (3) | −0.006 (2) | 0.007 (2) | −0.012 (2) |
C37 | 0.039 (3) | 0.027 (2) | 0.022 (2) | −0.0041 (19) | 0.0024 (19) | 0.0011 (17) |
C38 | 0.080 (5) | 0.051 (3) | 0.029 (3) | 0.032 (3) | −0.007 (3) | −0.005 (2) |
C39 | 0.113 (7) | 0.065 (5) | 0.046 (4) | 0.048 (5) | −0.009 (4) | 0.000 (3) |
C40 | 0.077 (5) | 0.057 (4) | 0.032 (3) | 0.004 (3) | 0.005 (3) | 0.010 (3) |
C41 | 0.056 (4) | 0.059 (4) | 0.030 (3) | 0.002 (3) | 0.010 (2) | 0.000 (3) |
C42 | 0.046 (3) | 0.051 (3) | 0.033 (3) | 0.005 (3) | 0.012 (2) | 0.000 (2) |
C43 | 0.033 (2) | 0.019 (2) | 0.032 (2) | −0.0050 (17) | 0.0105 (19) | −0.0021 (17) |
C44 | 0.040 (3) | 0.025 (2) | 0.048 (3) | −0.004 (2) | 0.002 (2) | 0.003 (2) |
C45 | 0.052 (3) | 0.034 (3) | 0.056 (4) | −0.013 (2) | −0.006 (3) | 0.002 (3) |
C46 | 0.057 (4) | 0.029 (3) | 0.046 (3) | −0.015 (2) | 0.011 (3) | −0.001 (2) |
C47 | 0.071 (4) | 0.023 (2) | 0.031 (3) | −0.007 (2) | 0.010 (2) | 0.0050 (19) |
C48 | 0.049 (3) | 0.021 (2) | 0.032 (2) | −0.001 (2) | 0.009 (2) | 0.0022 (18) |
C49 | 0.029 (2) | 0.032 (2) | 0.034 (2) | −0.0050 (18) | 0.0103 (19) | −0.0072 (19) |
C50 | 0.040 (3) | 0.045 (3) | 0.055 (3) | 0.009 (2) | 0.017 (3) | 0.008 (3) |
C51 | 0.037 (3) | 0.072 (4) | 0.063 (4) | 0.010 (3) | 0.013 (3) | −0.010 (3) |
C52 | 0.038 (3) | 0.103 (6) | 0.043 (3) | −0.024 (4) | 0.016 (3) | −0.023 (4) |
C53 | 0.046 (3) | 0.079 (5) | 0.039 (3) | −0.028 (3) | 0.013 (3) | −0.001 (3) |
C54 | 0.045 (3) | 0.048 (3) | 0.033 (3) | −0.009 (2) | 0.010 (2) | 0.003 (2) |
Geometric parameters (Å, º) top
Te1—O2 | 1.904 (3) | C22—C23 | 1.380 (11) |
Te1—O5 | 1.904 (3) | C22—H22 | 0.9500 |
Te1—O4 | 1.918 (3) | C23—C24 | 1.401 (8) |
Te1—O1 | 1.949 (3) | C23—H23 | 0.9500 |
Te1—O6 | 1.964 (3) | C24—H24 | 0.9500 |
Te1—O3 | 1.968 (3) | C25—C30 | 1.376 (7) |
Sb1—O1 | 1.992 (3) | C25—C26 | 1.378 (8) |
Sb1—O2 | 2.091 (3) | C26—C27 | 1.386 (9) |
Sb1—C1 | 2.110 (5) | C26—H26 | 0.9500 |
Sb1—C13 | 2.128 (4) | C27—C28 | 1.361 (9) |
Sb1—C7 | 2.175 (4) | C27—H27 | 0.9500 |
Sb2—O3 | 1.966 (3) | C28—C29 | 1.385 (10) |
Sb2—O4 | 2.087 (3) | C28—H28 | 0.9500 |
Sb2—C25 | 2.136 (5) | C29—C30 | 1.390 (9) |
Sb2—C31 | 2.147 (5) | C29—H29 | 0.9500 |
Sb2—C19 | 2.170 (4) | C30—H30 | 0.9500 |
Sb3—O6 | 1.967 (3) | C31—C32 | 1.387 (7) |
Sb3—O5 | 2.110 (3) | C31—C36 | 1.392 (7) |
Sb3—C49 | 2.112 (5) | C32—C33 | 1.397 (8) |
Sb3—C43 | 2.122 (4) | C32—H32 | 0.9500 |
Sb3—C37 | 2.165 (4) | C33—C34 | 1.371 (11) |
C1—C6 | 1.381 (7) | C33—H33 | 0.9500 |
C1—C2 | 1.399 (7) | C34—C35 | 1.381 (11) |
C2—C3 | 1.378 (8) | C34—H34 | 0.9500 |
C2—H2 | 0.9500 | C35—C36 | 1.376 (8) |
C3—C4 | 1.398 (10) | C35—H35 | 0.9500 |
C3—H3 | 0.9500 | C36—H36 | 0.9500 |
C4—C5 | 1.379 (9) | C37—C38 | 1.367 (8) |
C4—H4 | 0.9500 | C37—C42 | 1.385 (7) |
C5—C6 | 1.396 (8) | C38—C39 | 1.412 (8) |
C5—H5 | 0.9500 | C38—H38 | 0.9500 |
C6—H6 | 0.9500 | C39—C40 | 1.371 (10) |
C7—C8 | 1.377 (7) | C39—H39 | 0.9500 |
C7—C12 | 1.380 (8) | C40—C41 | 1.368 (9) |
C8—C9 | 1.396 (9) | C40—H40 | 0.9500 |
C8—H8 | 0.9500 | C41—C42 | 1.374 (8) |
C9—C10 | 1.371 (11) | C41—H41 | 0.9500 |
C9—H9 | 0.9500 | C42—H42 | 0.9500 |
C10—C11 | 1.387 (10) | C43—C44 | 1.383 (7) |
C10—H10 | 0.9500 | C43—C48 | 1.387 (7) |
C11—C12 | 1.371 (8) | C44—C45 | 1.408 (7) |
C11—H11 | 0.9500 | C44—H44 | 0.9500 |
C12—H12 | 0.9500 | C45—C46 | 1.368 (8) |
C13—C18 | 1.386 (6) | C45—H45 | 0.9500 |
C13—C14 | 1.387 (7) | C46—C47 | 1.377 (8) |
C14—C15 | 1.394 (7) | C46—H46 | 0.9500 |
C14—H14 | 0.9500 | C47—C48 | 1.387 (7) |
C15—C16 | 1.391 (7) | C47—H47 | 0.9500 |
C15—H15 | 0.9500 | C48—H48 | 0.9500 |
C16—C17 | 1.377 (8) | C49—C54 | 1.382 (7) |
C16—H16 | 0.9500 | C49—C50 | 1.388 (7) |
C17—C18 | 1.388 (7) | C50—C51 | 1.387 (8) |
C17—H17 | 0.9500 | C50—H50 | 0.9500 |
C18—H18 | 0.9500 | C51—C52 | 1.379 (10) |
C19—C24 | 1.382 (8) | C51—H51 | 0.9500 |
C19—C20 | 1.398 (8) | C52—C53 | 1.377 (10) |
C20—C21 | 1.403 (7) | C52—H52 | 0.9500 |
C20—H20 | 0.9500 | C53—C54 | 1.382 (8) |
C21—C22 | 1.381 (11) | C53—H53 | 0.9500 |
C21—H21 | 0.9500 | C54—H54 | 0.9500 |
| | | |
O2—Te1—O5 | 97.67 (13) | C20—C19—Sb2 | 118.9 (4) |
O2—Te1—O4 | 166.37 (13) | C19—C20—C21 | 120.8 (6) |
O5—Te1—O4 | 94.67 (13) | C19—C20—H20 | 119.6 |
O2—Te1—O1 | 81.53 (12) | C21—C20—H20 | 119.6 |
O5—Te1—O1 | 95.83 (13) | C22—C21—C20 | 118.4 (7) |
O4—Te1—O1 | 91.49 (13) | C22—C21—H21 | 120.8 |
O2—Te1—O6 | 94.01 (13) | C20—C21—H21 | 120.8 |
O5—Te1—O6 | 81.51 (12) | C23—C22—C21 | 121.5 (6) |
O4—Te1—O6 | 93.53 (13) | C23—C22—H22 | 119.2 |
O1—Te1—O6 | 174.49 (13) | C21—C22—H22 | 119.2 |
O2—Te1—O3 | 88.47 (13) | C22—C23—C24 | 119.7 (6) |
O5—Te1—O3 | 168.81 (13) | C22—C23—H23 | 120.2 |
O4—Te1—O3 | 80.35 (12) | C24—C23—H23 | 120.2 |
O1—Te1—O3 | 94.32 (13) | C19—C24—C23 | 120.1 (6) |
O6—Te1—O3 | 88.77 (13) | C19—C24—H24 | 119.9 |
O1—Sb1—O2 | 76.01 (12) | C23—C24—H24 | 119.9 |
O1—Sb1—C1 | 119.50 (15) | C30—C25—C26 | 119.9 (5) |
O2—Sb1—C1 | 91.35 (15) | C30—C25—Sb2 | 119.3 (4) |
O1—Sb1—C13 | 124.71 (15) | C26—C25—Sb2 | 120.7 (4) |
O2—Sb1—C13 | 91.45 (14) | C25—C26—C27 | 119.7 (6) |
C1—Sb1—C13 | 114.34 (17) | C25—C26—H26 | 120.1 |
O1—Sb1—C7 | 85.22 (15) | C27—C26—H26 | 120.1 |
O2—Sb1—C7 | 161.09 (15) | C28—C27—C26 | 121.1 (6) |
C1—Sb1—C7 | 99.99 (18) | C28—C27—H27 | 119.5 |
C13—Sb1—C7 | 97.49 (17) | C26—C27—H27 | 119.5 |
O3—Sb2—O4 | 76.38 (12) | C27—C28—C29 | 119.1 (6) |
O3—Sb2—C25 | 118.46 (16) | C27—C28—H28 | 120.4 |
O4—Sb2—C25 | 88.80 (15) | C29—C28—H28 | 120.4 |
O3—Sb2—C31 | 119.67 (17) | C28—C29—C30 | 120.5 (6) |
O4—Sb2—C31 | 87.58 (16) | C28—C29—H29 | 119.7 |
C25—Sb2—C31 | 118.87 (19) | C30—C29—H29 | 119.7 |
O3—Sb2—C19 | 88.62 (17) | C25—C30—C29 | 119.6 (6) |
O4—Sb2—C19 | 164.73 (16) | C25—C30—H30 | 120.2 |
C25—Sb2—C19 | 101.04 (18) | C29—C30—H30 | 120.2 |
C31—Sb2—C19 | 97.6 (2) | C32—C31—C36 | 120.5 (5) |
O6—Sb3—O5 | 76.45 (12) | C32—C31—Sb2 | 119.8 (4) |
O6—Sb3—C49 | 116.47 (16) | C36—C31—Sb2 | 119.4 (4) |
O5—Sb3—C49 | 89.13 (16) | C31—C32—C33 | 119.0 (6) |
O6—Sb3—C43 | 126.74 (16) | C31—C32—H32 | 120.5 |
O5—Sb3—C43 | 87.41 (15) | C33—C32—H32 | 120.5 |
C49—Sb3—C43 | 113.58 (18) | C34—C33—C32 | 120.2 (6) |
O6—Sb3—C37 | 89.39 (16) | C34—C33—H33 | 119.9 |
O5—Sb3—C37 | 165.43 (16) | C32—C33—H33 | 119.9 |
C49—Sb3—C37 | 100.46 (19) | C33—C34—C35 | 120.3 (6) |
C43—Sb3—C37 | 98.58 (17) | C33—C34—H34 | 119.9 |
Te1—O1—Sb1 | 102.08 (13) | C35—C34—H34 | 119.9 |
Te1—O2—Sb1 | 100.07 (13) | C36—C35—C34 | 120.5 (6) |
Sb2—O3—Te1 | 102.41 (13) | C36—C35—H35 | 119.7 |
Te1—O4—Sb2 | 99.85 (12) | C34—C35—H35 | 119.7 |
Te1—O5—Sb3 | 99.33 (13) | C35—C36—C31 | 119.4 (6) |
Te1—O6—Sb3 | 102.36 (14) | C35—C36—H36 | 120.3 |
C6—C1—C2 | 119.8 (5) | C31—C36—H36 | 120.3 |
C6—C1—Sb1 | 119.3 (4) | C38—C37—C42 | 119.4 (5) |
C2—C1—Sb1 | 120.8 (4) | C38—C37—Sb3 | 121.4 (4) |
C3—C2—C1 | 119.4 (6) | C42—C37—Sb3 | 119.1 (4) |
C3—C2—H2 | 120.3 | C37—C38—C39 | 119.5 (6) |
C1—C2—H2 | 120.3 | C37—C38—H38 | 120.3 |
C2—C3—C4 | 121.2 (6) | C39—C38—H38 | 120.3 |
C2—C3—H3 | 119.4 | C40—C39—C38 | 120.8 (6) |
C4—C3—H3 | 119.4 | C40—C39—H39 | 119.6 |
C5—C4—C3 | 118.7 (6) | C38—C39—H39 | 119.6 |
C5—C4—H4 | 120.7 | C41—C40—C39 | 118.5 (5) |
C3—C4—H4 | 120.7 | C41—C40—H40 | 120.8 |
C4—C5—C6 | 120.8 (5) | C39—C40—H40 | 120.8 |
C4—C5—H5 | 119.6 | C40—C41—C42 | 121.7 (6) |
C6—C5—H5 | 119.6 | C40—C41—H41 | 119.2 |
C1—C6—C5 | 119.9 (5) | C42—C41—H41 | 119.2 |
C1—C6—H6 | 120.0 | C41—C42—C37 | 120.0 (5) |
C5—C6—H6 | 120.0 | C41—C42—H42 | 120.0 |
C8—C7—C12 | 120.1 (5) | C37—C42—H42 | 120.0 |
C8—C7—Sb1 | 121.5 (4) | C44—C43—C48 | 120.4 (4) |
C12—C7—Sb1 | 118.3 (4) | C44—C43—Sb3 | 120.0 (3) |
C7—C8—C9 | 119.2 (6) | C48—C43—Sb3 | 119.6 (3) |
C7—C8—H8 | 120.4 | C43—C44—C45 | 118.8 (5) |
C9—C8—H8 | 120.4 | C43—C44—H44 | 120.6 |
C10—C9—C8 | 121.0 (6) | C45—C44—H44 | 120.6 |
C10—C9—H9 | 119.5 | C46—C45—C44 | 119.9 (5) |
C8—C9—H9 | 119.5 | C46—C45—H45 | 120.1 |
C9—C10—C11 | 118.8 (6) | C44—C45—H45 | 120.1 |
C9—C10—H10 | 120.6 | C45—C46—C47 | 121.3 (5) |
C11—C10—H10 | 120.6 | C45—C46—H46 | 119.3 |
C12—C11—C10 | 120.8 (6) | C47—C46—H46 | 119.3 |
C12—C11—H11 | 119.6 | C46—C47—C48 | 119.0 (5) |
C10—C11—H11 | 119.6 | C46—C47—H47 | 120.5 |
C11—C12—C7 | 120.2 (5) | C48—C47—H47 | 120.5 |
C11—C12—H12 | 119.9 | C43—C48—C47 | 120.3 (5) |
C7—C12—H12 | 119.9 | C43—C48—H48 | 119.8 |
C18—C13—C14 | 119.7 (4) | C47—C48—H48 | 119.8 |
C18—C13—Sb1 | 122.0 (3) | C54—C49—C50 | 119.6 (5) |
C14—C13—Sb1 | 118.3 (3) | C54—C49—Sb3 | 119.5 (4) |
C13—C14—C15 | 120.6 (4) | C50—C49—Sb3 | 120.9 (4) |
C13—C14—H14 | 119.7 | C51—C50—C49 | 120.0 (6) |
C15—C14—H14 | 119.7 | C51—C50—H50 | 120.0 |
C16—C15—C14 | 118.9 (5) | C49—C50—H50 | 120.0 |
C16—C15—H15 | 120.5 | C52—C51—C50 | 119.9 (6) |
C14—C15—H15 | 120.5 | C52—C51—H51 | 120.1 |
C17—C16—C15 | 120.7 (4) | C50—C51—H51 | 120.1 |
C17—C16—H16 | 119.7 | C53—C52—C51 | 120.1 (6) |
C15—C16—H16 | 119.7 | C53—C52—H52 | 120.0 |
C16—C17—C18 | 120.1 (5) | C51—C52—H52 | 120.0 |
C16—C17—H17 | 120.0 | C52—C53—C54 | 120.3 (6) |
C18—C17—H17 | 120.0 | C52—C53—H53 | 119.9 |
C13—C18—C17 | 120.0 (5) | C54—C53—H53 | 119.9 |
C13—C18—H18 | 120.0 | C53—C54—C49 | 120.0 (6) |
C17—C18—H18 | 120.0 | C53—C54—H54 | 120.0 |
C24—C19—C20 | 119.4 (5) | C49—C54—H54 | 120.0 |
C24—C19—Sb2 | 121.6 (4) | | |
| | | |
C6—C1—C2—C3 | −1.9 (9) | C27—C28—C29—C30 | 2.7 (12) |
Sb1—C1—C2—C3 | 179.8 (5) | C26—C25—C30—C29 | −2.1 (10) |
C1—C2—C3—C4 | 2.1 (10) | Sb2—C25—C30—C29 | 179.6 (6) |
C2—C3—C4—C5 | −1.4 (10) | C28—C29—C30—C25 | −0.8 (12) |
C3—C4—C5—C6 | 0.5 (9) | C36—C31—C32—C33 | −1.0 (9) |
C2—C1—C6—C5 | 1.1 (8) | Sb2—C31—C32—C33 | −174.9 (5) |
Sb1—C1—C6—C5 | 179.4 (4) | C31—C32—C33—C34 | 0.6 (10) |
C4—C5—C6—C1 | −0.3 (9) | C32—C33—C34—C35 | −0.9 (12) |
C12—C7—C8—C9 | 1.5 (10) | C33—C34—C35—C36 | 1.5 (11) |
Sb1—C7—C8—C9 | 177.5 (6) | C34—C35—C36—C31 | −1.9 (10) |
C7—C8—C9—C10 | −0.4 (12) | C32—C31—C36—C35 | 1.6 (9) |
C8—C9—C10—C11 | −0.8 (13) | Sb2—C31—C36—C35 | 175.5 (5) |
C9—C10—C11—C12 | 0.9 (11) | C42—C37—C38—C39 | 4.5 (10) |
C10—C11—C12—C7 | 0.3 (10) | Sb3—C37—C38—C39 | −179.4 (6) |
C8—C7—C12—C11 | −1.5 (9) | C37—C38—C39—C40 | −3.4 (13) |
Sb1—C7—C12—C11 | −177.5 (5) | C38—C39—C40—C41 | 0.4 (13) |
C18—C13—C14—C15 | 0.9 (8) | C39—C40—C41—C42 | 1.5 (11) |
Sb1—C13—C14—C15 | −176.5 (4) | C40—C41—C42—C37 | −0.4 (10) |
C13—C14—C15—C16 | −0.9 (8) | C38—C37—C42—C41 | −2.7 (9) |
C14—C15—C16—C17 | −0.1 (9) | Sb3—C37—C42—C41 | −178.9 (5) |
C15—C16—C17—C18 | 1.2 (9) | C48—C43—C44—C45 | −3.4 (8) |
C14—C13—C18—C17 | 0.2 (8) | Sb3—C43—C44—C45 | 177.3 (5) |
Sb1—C13—C18—C17 | 177.5 (4) | C43—C44—C45—C46 | 2.5 (10) |
C16—C17—C18—C13 | −1.2 (9) | C44—C45—C46—C47 | 1.7 (10) |
C24—C19—C20—C21 | −1.1 (8) | C45—C46—C47—C48 | −5.0 (10) |
Sb2—C19—C20—C21 | −179.5 (5) | C44—C43—C48—C47 | 0.2 (8) |
C19—C20—C21—C22 | 0.4 (10) | Sb3—C43—C48—C47 | 179.5 (4) |
C20—C21—C22—C23 | −0.2 (12) | C46—C47—C48—C43 | 4.0 (9) |
C21—C22—C23—C24 | 0.7 (12) | C54—C49—C50—C51 | 1.3 (9) |
C20—C19—C24—C23 | 1.5 (9) | Sb3—C49—C50—C51 | −178.4 (5) |
Sb2—C19—C24—C23 | 180.0 (4) | C49—C50—C51—C52 | −0.7 (10) |
C22—C23—C24—C19 | −1.4 (10) | C50—C51—C52—C53 | −2.1 (10) |
C30—C25—C26—C27 | 3.1 (10) | C51—C52—C53—C54 | 4.3 (9) |
Sb2—C25—C26—C27 | −178.6 (6) | C52—C53—C54—C49 | −3.7 (9) |
C25—C26—C27—C28 | −1.2 (12) | C50—C49—C54—C53 | 0.9 (8) |
C26—C27—C28—C29 | −1.7 (12) | Sb3—C49—C54—C53 | −179.3 (4) |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
C16—H16···O1i | 0.95 | 2.58 | 3.342 (6) | 137 |
C17—H17···O5i | 0.95 | 2.58 | 3.437 (6) | 150 |
C21—H21···O4i | 0.95 | 2.75 | 3.651 (8) | 158 |
C46—H46···O6ii | 0.95 | 2.67 | 3.276 (6) | 122 |
C47—H47···O6ii | 0.95 | 2.73 | 3.307 (6) | 120 |
C47—H47···O2ii | 0.95 | 2.70 | 3.645 (6) | 177 |
Symmetry codes: (i) x, y−1, z; (ii) x, y+1, z. |