The synthesis and structural characterization of two new potassium triphenylsiloxides, namely, aqua(propan-2-ol)hexakis(triphenylsilanolato)hexapotassium toluene disolvate, [K
6(C
18H
15OSi)
6(C
3H
8O)(H
2O)]·2C
7H
8, and diaquahexakis(triphenylsilanolato)hexapotassium, [K
6(C
18H
15OSi)
6(H
2O)
2], are reported. Both compounds crystallize in the triclinic space group
P. The structure in each case resembles an alkali metal polyoxometalate-like structure, in which electrostatic interactions are observed in the metal–oxygen core. Furthermore, both compounds also resemble a reverse micelles-like architecture, in which the hydrophilic core is enclosed in a hydrophobic shell. The cores of the complexes are flanked by hydrophobic aromatic rings derived from Ph
3SiO
− anions, where intramolecular π-interactions between the aromatic rings and potassium cations stabilize the cores of the crystals. Moreover, in both structures, the presence of hydrogen bonds is observed; until now, no crystal structures have been described containing K atoms and triphenylsiloxide molecules in which the presence of hydrogen bonds was confirmed. Thus, these coordination entities could be considered as attractive reagents for further synthetic protocols towards heterometallic complexes.
Supporting information
CCDC references: 2077951; 2077950
For both structures, data collection: CrysAlis PRO (Rigaku OD, 2020); cell refinement: CrysAlis PRO (Rigaku OD, 2020); data reduction: CrysAlis PRO (Rigaku OD, 2020); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL2018 (Sheldrick, 2015).
(µ
6-Aqua)(µ
3-propan-2-ol)pentakis(µ
3-triphenylsilanolato)(µ
2-triphenylsilanolato)hexapotassium toluene disolvate (u777a)
top
Crystal data top
[K6(C18H15OSi)6(C3H8O)(H2O)]·2C7H8 | Z = 2 |
Mr = 2149.31 | F(000) = 2256 |
Triclinic, P1 | Dx = 1.266 Mg m−3 |
a = 13.081 (2) Å | Cu Kα radiation, λ = 1.54184 Å |
b = 14.960 (3) Å | Cell parameters from 43113 reflections |
c = 31.017 (4) Å | θ = 2.8–60° |
α = 82.52 (2)° | µ = 3.12 mm−1 |
β = 87.24 (2)° | T = 100 K |
γ = 69.51 (2)° | Needle, colorless |
V = 5637.4 (18) Å3 | 0.31 × 0.07 × 0.06 mm |
Data collection top
XtaLAB Synergy R, DW system, HyPix-Arc 150 diffractometer | 20072 independent reflections |
Radiation source: Rotating-anode X-ray tube, Rigaku (Cu) X-ray Source | 15683 reflections with I > 2σ(I) |
Mirror monochromator | Rint = 0.091 |
Detector resolution: 10.0000 pixels mm-1 | θmax = 67.0°, θmin = 2.9° |
Absorption correction: analytical [CrysAlis PRO (Rigaku OD, 2020), based on
expressions derived by Clark & Reid (1995)] | h = −15→15 |
Tmin = 0.569, Tmax = 0.869 | k = −17→17 |
97762 measured reflections | l = −37→37 |
Refinement top
Refinement on F2 | 16 restraints |
Least-squares matrix: full | Hydrogen site location: mixed |
R[F2 > 2σ(F2)] = 0.077 | H-atom parameters constrained |
wR(F2) = 0.221 | w = 1/[σ2(Fo2) + (0.1182P)2 + 6.1369P], where P = (Fo2 + 2Fc2)/3 |
S = 1.10 | (Δ/σ)max = 0.001 |
20072 reflections | Δρmax = 0.96 e Å−3 |
1250 parameters | Δρmin = −0.58 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. |
Refinement. Diffraction data for 1 and 2 were collected at 100 K
on an XCALIBUR PX monocrystalline diffractometer with a large CCD camera using
Cu Kα radiation (λ = 1.54184 Å). The CrysAlisPro software from
Oxford Diffraction was used to determine cell parameters, data reduction, and
absorption correction. The structures were solved by direct methods (SHELXS97)
and refined using the least-squares technique (SHELXL2013). |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | Occ. (<1) |
O1W | 0.4928 (2) | 0.6821 (2) | 0.21617 (9) | 0.0389 (6) | |
H1W | 0.4368 | 0.7278 | 0.2068 | 0.058* | |
H2W | 0.5139 | 0.6410 | 0.1986 | 0.058* | |
K1 | 0.45134 (7) | 0.74130 (6) | 0.11190 (3) | 0.0350 (2) | |
K2 | 0.53723 (7) | 0.88948 (7) | 0.18830 (3) | 0.0404 (2) | |
K3 | 0.72316 (8) | 0.57815 (7) | 0.17891 (3) | 0.0426 (2) | |
K4 | 0.35004 (7) | 0.81118 (7) | 0.27618 (3) | 0.0392 (2) | |
K5 | 0.52696 (8) | 0.51277 (7) | 0.27820 (3) | 0.0408 (2) | |
K6 | 0.63599 (7) | 0.69406 (7) | 0.28138 (3) | 0.0404 (2) | |
O1 | 0.6448 (2) | 0.77325 (19) | 0.12726 (9) | 0.0341 (6) | |
Si1 | 0.70036 (8) | 0.77269 (7) | 0.08033 (3) | 0.0289 (2) | |
C1A | 0.5950 (3) | 0.7954 (3) | 0.03661 (12) | 0.0303 (8) | |
C2A | 0.5106 (3) | 0.8836 (3) | 0.03054 (14) | 0.0394 (9) | |
H2A | 0.5119 | 0.9333 | 0.0465 | 0.047* | |
C3A | 0.4249 (4) | 0.9022 (3) | 0.00239 (16) | 0.0455 (11) | |
H3A | 0.3683 | 0.9632 | −0.0004 | 0.055* | |
C4A | 0.4219 (4) | 0.8313 (4) | −0.02185 (16) | 0.0484 (11) | |
H4A | 0.3633 | 0.8433 | −0.0413 | 0.058* | |
C5A | 0.5049 (4) | 0.7435 (3) | −0.01725 (15) | 0.0425 (10) | |
H5A | 0.5042 | 0.6948 | −0.0339 | 0.051* | |
C6A | 0.5904 (3) | 0.7254 (3) | 0.01180 (13) | 0.0343 (8) | |
H6A | 0.6466 | 0.6641 | 0.0147 | 0.041* | |
C1B | 0.7649 (3) | 0.8686 (3) | 0.06927 (13) | 0.0339 (8) | |
C2B | 0.7621 (3) | 0.9281 (3) | 0.10037 (14) | 0.0394 (9) | |
H2B | 0.7218 | 0.9236 | 0.1264 | 0.047* | |
C3B | 0.8160 (4) | 0.9943 (3) | 0.09491 (16) | 0.0458 (10) | |
H3B | 0.8125 | 1.0342 | 0.1168 | 0.055* | |
C4B | 0.8746 (4) | 1.0010 (3) | 0.05733 (16) | 0.0448 (10) | |
H4B | 0.9143 | 1.0439 | 0.0537 | 0.054* | |
C5B | 0.8758 (3) | 0.9460 (3) | 0.02515 (15) | 0.0420 (10) | |
H5B | 0.9136 | 0.9531 | −0.0013 | 0.050* | |
C6B | 0.8220 (3) | 0.8798 (3) | 0.03098 (14) | 0.0372 (9) | |
H6B | 0.8242 | 0.8416 | 0.0085 | 0.045* | |
C1C | 0.8076 (3) | 0.6525 (3) | 0.07321 (12) | 0.0306 (8) | |
C2C | 0.9148 (3) | 0.6414 (3) | 0.06115 (17) | 0.0483 (11) | |
H2C | 0.9366 | 0.6961 | 0.0567 | 0.058* | |
C3C | 0.9903 (4) | 0.5516 (4) | 0.0555 (2) | 0.0667 (17) | |
H3C | 1.0627 | 0.5460 | 0.0468 | 0.080* | |
C4C | 0.9616 (4) | 0.4705 (3) | 0.06239 (19) | 0.0577 (13) | |
H4C | 1.0133 | 0.4096 | 0.0577 | 0.069* | |
C5C | 0.8575 (4) | 0.4784 (3) | 0.07604 (14) | 0.0402 (9) | |
H5C | 0.8378 | 0.4227 | 0.0823 | 0.048* | |
C6C | 0.7815 (3) | 0.5687 (3) | 0.08060 (12) | 0.0331 (8) | |
H6C | 0.7092 | 0.5737 | 0.0891 | 0.040* | |
O2 | 0.3591 (2) | 0.8530 (2) | 0.18254 (10) | 0.0391 (6) | |
Si2 | 0.24249 (8) | 0.91681 (8) | 0.16263 (4) | 0.0331 (2) | |
C1D | 0.2011 (3) | 0.8484 (3) | 0.12363 (14) | 0.0339 (8) | |
C2D | 0.1946 (4) | 0.7579 (3) | 0.13785 (15) | 0.0426 (10) | |
H2D | 0.2050 | 0.7342 | 0.1678 | 0.051* | |
C3D | 0.1736 (4) | 0.7015 (3) | 0.10965 (18) | 0.0535 (12) | |
H3D | 0.1699 | 0.6402 | 0.1204 | 0.064* | |
C4D | 0.1581 (4) | 0.7348 (3) | 0.06603 (17) | 0.0486 (11) | |
H4D | 0.1421 | 0.6972 | 0.0467 | 0.058* | |
C5D | 0.1658 (4) | 0.8222 (4) | 0.05080 (17) | 0.0527 (12) | |
H5D | 0.1567 | 0.8446 | 0.0206 | 0.063* | |
C6D | 0.1867 (4) | 0.8783 (3) | 0.07906 (16) | 0.0452 (10) | |
H6D | 0.1914 | 0.9389 | 0.0678 | 0.054* | |
C1E | 0.2425 (3) | 1.0317 (3) | 0.12975 (13) | 0.0351 (9) | |
C2E | 0.3303 (4) | 1.0350 (3) | 0.10350 (14) | 0.0418 (10) | |
H2E | 0.3944 | 0.9795 | 0.1045 | 0.050* | |
C3E | 0.3276 (4) | 1.1160 (3) | 0.07605 (16) | 0.0490 (11) | |
H3E | 0.3892 | 1.1152 | 0.0583 | 0.059* | |
C4E | 0.2376 (4) | 1.1972 (3) | 0.07411 (15) | 0.0492 (11) | |
H4E | 0.2346 | 1.2526 | 0.0546 | 0.059* | |
C5E | 0.1511 (5) | 1.1973 (4) | 0.10101 (19) | 0.0636 (15) | |
H5E | 0.0887 | 1.2542 | 0.1007 | 0.076* | |
C6E | 0.1531 (4) | 1.1158 (3) | 0.12872 (17) | 0.0534 (12) | |
H6E | 0.0924 | 1.1178 | 0.1471 | 0.064* | |
C1F | 0.1319 (3) | 0.9532 (3) | 0.20435 (14) | 0.0385 (9) | |
C2F | 0.1464 (4) | 0.9987 (3) | 0.23949 (15) | 0.0460 (10) | |
H2F | 0.2142 | 1.0070 | 0.2426 | 0.055* | |
C3F | 0.0646 (5) | 1.0314 (4) | 0.26946 (17) | 0.0623 (15) | |
H3F | 0.0764 | 1.0616 | 0.2929 | 0.075* | |
C4F | −0.0345 (5) | 1.0200 (4) | 0.2652 (2) | 0.0701 (17) | |
H4F | −0.0906 | 1.0416 | 0.2860 | 0.084* | |
C5F | −0.0528 (4) | 0.9771 (4) | 0.2308 (2) | 0.0674 (16) | |
H5F | −0.1215 | 0.9702 | 0.2277 | 0.081* | |
C6F | 0.0301 (4) | 0.9445 (4) | 0.20098 (17) | 0.0513 (12) | |
H6F | 0.0170 | 0.9151 | 0.1774 | 0.062* | |
O3 | 0.7246 (2) | 0.5091 (2) | 0.26060 (9) | 0.0402 (7) | |
Si3 | 0.83535 (9) | 0.43955 (8) | 0.28285 (4) | 0.0393 (3) | |
C1G | 0.9508 (3) | 0.3970 (3) | 0.24288 (14) | 0.0396 (9) | |
C2G | 1.0162 (4) | 0.3008 (3) | 0.24209 (17) | 0.0500 (11) | |
H2G | 1.0008 | 0.2528 | 0.2617 | 0.060* | |
C3G | 1.1030 (4) | 0.2736 (4) | 0.21344 (19) | 0.0598 (14) | |
H3G | 1.1455 | 0.2075 | 0.2134 | 0.072* | |
C4G | 1.1286 (4) | 0.3420 (4) | 0.18477 (19) | 0.0619 (14) | |
H4G | 1.1896 | 0.3231 | 0.1658 | 0.074* | |
C5G | 1.0650 (4) | 0.4373 (4) | 0.18397 (18) | 0.0588 (13) | |
H5G | 1.0803 | 0.4847 | 0.1639 | 0.071* | |
C6G | 0.9779 (4) | 0.4637 (4) | 0.21292 (16) | 0.0482 (11) | |
H6G | 0.9351 | 0.5298 | 0.2123 | 0.058* | |
C1H | 0.8226 (4) | 0.3285 (4) | 0.31497 (17) | 0.0538 (12) | |
C2H | 0.7576 (5) | 0.2809 (4) | 0.30088 (19) | 0.0637 (15) | |
H2H | 0.7165 | 0.3066 | 0.2749 | 0.076* | |
C3H | 0.7520 (6) | 0.1957 (4) | 0.3245 (3) | 0.083 (2) | |
H3H | 0.7064 | 0.1651 | 0.3148 | 0.099* | |
C4H | 0.8116 (7) | 0.1574 (5) | 0.3612 (3) | 0.110 (3) | |
H4H | 0.8102 | 0.0986 | 0.3765 | 0.132* | |
C5H | 0.8741 (7) | 0.2035 (7) | 0.3762 (3) | 0.136 (4) | |
H5H | 0.9140 | 0.1772 | 0.4025 | 0.163* | |
C6H | 0.8798 (5) | 0.2881 (6) | 0.3536 (3) | 0.102 (3) | |
H6H | 0.9235 | 0.3190 | 0.3647 | 0.123* | |
C1I | 0.8900 (4) | 0.5012 (4) | 0.32098 (15) | 0.0513 (12) | |
C2I | 0.9975 (4) | 0.4987 (4) | 0.32028 (19) | 0.0617 (14) | |
H2I | 1.0477 | 0.4608 | 0.3009 | 0.074* | |
C3I | 1.0341 (6) | 0.5489 (6) | 0.3466 (2) | 0.084 (2) | |
H3I | 1.1082 | 0.5451 | 0.3454 | 0.101* | |
C4I | 0.9621 (7) | 0.6046 (6) | 0.3746 (2) | 0.098 (2) | |
H4I | 0.9859 | 0.6413 | 0.3919 | 0.118* | |
C5I | 0.8560 (7) | 0.6074 (6) | 0.3777 (2) | 0.093 (2) | |
H5I | 0.8074 | 0.6443 | 0.3977 | 0.112* | |
C6I | 0.8195 (5) | 0.5562 (4) | 0.35134 (17) | 0.0669 (15) | |
H6I | 0.7460 | 0.5583 | 0.3538 | 0.080* | |
O4 | 0.5078 (2) | 0.8783 (2) | 0.27478 (9) | 0.0416 (7) | |
Si4 | 0.49729 (9) | 0.97845 (8) | 0.28979 (4) | 0.0367 (3) | |
C1J | 0.5209 (4) | 1.0600 (3) | 0.24118 (14) | 0.0411 (10) | |
C2J | 0.4392 (5) | 1.1044 (3) | 0.20938 (16) | 0.0531 (12) | |
H2J | 0.3677 | 1.1032 | 0.2152 | 0.064* | |
C3J | 0.4602 (6) | 1.1495 (4) | 0.17021 (17) | 0.0632 (15) | |
H3J | 0.4038 | 1.1785 | 0.1493 | 0.076* | |
C4J | 0.5628 (6) | 1.1525 (4) | 0.16142 (19) | 0.0701 (18) | |
H4J | 0.5776 | 1.1828 | 0.1342 | 0.084* | |
C5J | 0.6436 (5) | 1.1124 (4) | 0.1914 (2) | 0.0652 (16) | |
H5J | 0.7141 | 1.1158 | 0.1853 | 0.078* | |
C6J | 0.6231 (4) | 1.0663 (3) | 0.23113 (17) | 0.0513 (12) | |
H6J | 0.6802 | 1.0385 | 0.2518 | 0.062* | |
C1K | 0.3624 (4) | 1.0450 (4) | 0.31442 (15) | 0.0449 (10) | |
C2K | 0.3175 (4) | 0.9961 (4) | 0.34664 (16) | 0.0552 (12) | |
H2K | 0.3509 | 0.9285 | 0.3533 | 0.066* | |
C3K | 0.2238 (5) | 1.0450 (5) | 0.36941 (19) | 0.0725 (17) | |
H3K | 0.1942 | 1.0099 | 0.3911 | 0.087* | |
C4K | 0.1736 (5) | 1.1438 (5) | 0.3608 (2) | 0.0766 (19) | |
H4K | 0.1110 | 1.1768 | 0.3767 | 0.092* | |
C5K | 0.2158 (5) | 1.1924 (5) | 0.3290 (2) | 0.0699 (16) | |
H5K | 0.1816 | 1.2600 | 0.3224 | 0.084* | |
C6K | 0.3084 (4) | 1.1443 (4) | 0.30611 (18) | 0.0554 (12) | |
H6K | 0.3360 | 1.1801 | 0.2840 | 0.067* | |
C1L | 0.5996 (4) | 0.9643 (3) | 0.33352 (15) | 0.0454 (10) | |
C2L | 0.5798 (5) | 1.0260 (5) | 0.36498 (19) | 0.0718 (18) | |
H2L | 0.5143 | 1.0804 | 0.3637 | 0.086* | |
C3L | 0.6533 (7) | 1.0104 (8) | 0.3984 (2) | 0.109 (3) | |
H3L | 0.6359 | 1.0525 | 0.4202 | 0.131* | |
C4L | 0.7498 (7) | 0.9357 (8) | 0.4004 (3) | 0.107 (3) | |
H4L | 0.8016 | 0.9277 | 0.4223 | 0.128* | |
C5L | 0.7708 (6) | 0.8735 (5) | 0.3709 (3) | 0.106 (3) | |
H5L | 0.8366 | 0.8195 | 0.3727 | 0.127* | |
C6L | 0.6966 (5) | 0.8872 (4) | 0.3375 (3) | 0.0778 (19) | |
H6L | 0.7134 | 0.8422 | 0.3170 | 0.093* | |
O5 | 0.5387 (2) | 0.57040 (19) | 0.15287 (9) | 0.0352 (6) | |
Si5 | 0.51974 (9) | 0.47271 (7) | 0.14886 (3) | 0.0314 (2) | |
C1M | 0.6514 (3) | 0.3727 (3) | 0.13857 (14) | 0.0353 (9) | |
C2M | 0.6683 (3) | 0.3295 (3) | 0.10056 (15) | 0.0388 (9) | |
H2M | 0.6112 | 0.3500 | 0.0798 | 0.047* | |
C3M | 0.7649 (4) | 0.2577 (3) | 0.09173 (16) | 0.0449 (11) | |
H3M | 0.7737 | 0.2301 | 0.0653 | 0.054* | |
C4M | 0.8482 (4) | 0.2268 (3) | 0.12178 (18) | 0.0499 (12) | |
H4M | 0.9145 | 0.1772 | 0.1161 | 0.060* | |
C5M | 0.8359 (4) | 0.2675 (3) | 0.15991 (18) | 0.0519 (12) | |
H5M | 0.8934 | 0.2459 | 0.1805 | 0.062* | |
C6M | 0.7392 (4) | 0.3400 (3) | 0.16804 (15) | 0.0435 (10) | |
H6M | 0.7318 | 0.3685 | 0.1942 | 0.052* | |
C1N | 0.4277 (3) | 0.4839 (3) | 0.10239 (13) | 0.0346 (9) | |
C2N | 0.3498 (3) | 0.4381 (3) | 0.10514 (15) | 0.0402 (9) | |
H2N | 0.3429 | 0.4002 | 0.1314 | 0.048* | |
C3N | 0.2832 (4) | 0.4469 (3) | 0.07054 (17) | 0.0487 (12) | |
H3N | 0.2302 | 0.4164 | 0.0736 | 0.058* | |
C4N | 0.2927 (4) | 0.4995 (4) | 0.03163 (16) | 0.0515 (12) | |
H4N | 0.2471 | 0.5047 | 0.0078 | 0.062* | |
C5N | 0.3699 (4) | 0.5451 (4) | 0.02766 (15) | 0.0488 (12) | |
H5N | 0.3770 | 0.5819 | 0.0011 | 0.059* | |
C6N | 0.4356 (3) | 0.5365 (3) | 0.06232 (13) | 0.0401 (9) | |
H6N | 0.4882 | 0.5674 | 0.0590 | 0.048* | |
C1O | 0.4513 (3) | 0.4353 (3) | 0.19970 (13) | 0.0381 (9) | |
C2O | 0.3530 (4) | 0.4984 (3) | 0.21237 (14) | 0.0425 (10) | |
H1O | 0.3209 | 0.5577 | 0.1946 | 0.051* | |
C3O | 0.2987 (4) | 0.4790 (4) | 0.24998 (16) | 0.0535 (12) | |
H3O | 0.2299 | 0.5234 | 0.2572 | 0.064* | |
C4O | 0.3462 (5) | 0.3936 (4) | 0.27689 (16) | 0.0567 (13) | |
H4O | 0.3111 | 0.3800 | 0.3032 | 0.068* | |
C5O | 0.4447 (5) | 0.3287 (4) | 0.26527 (15) | 0.0514 (12) | |
H5O | 0.4772 | 0.2703 | 0.2836 | 0.062* | |
C6O | 0.4969 (4) | 0.3481 (3) | 0.22702 (14) | 0.0437 (10) | |
H6O | 0.5640 | 0.3022 | 0.2192 | 0.052* | |
O6 | 0.4741 (2) | 0.6538 (2) | 0.32452 (9) | 0.0400 (7) | |
Si6 | 0.42260 (9) | 0.63680 (9) | 0.37061 (4) | 0.0378 (3) | |
C1P | 0.4232 (4) | 0.5093 (3) | 0.38294 (13) | 0.0449 (10) | |
C2P | 0.3300 (4) | 0.4853 (4) | 0.39166 (15) | 0.0524 (12) | |
H2P | 0.2614 | 0.5354 | 0.3933 | 0.063* | |
C3P | 0.3341 (6) | 0.3906 (5) | 0.39800 (17) | 0.0681 (16) | |
H3P | 0.2688 | 0.3768 | 0.4035 | 0.082* | |
C4P | 0.4322 (7) | 0.3167 (5) | 0.39630 (18) | 0.0751 (19) | |
H4P | 0.4349 | 0.2519 | 0.4006 | 0.090* | |
C5P | 0.5266 (6) | 0.3373 (4) | 0.38836 (19) | 0.0778 (19) | |
H5P | 0.5947 | 0.2865 | 0.3871 | 0.093* | |
C6P | 0.5225 (5) | 0.4333 (4) | 0.38206 (17) | 0.0590 (13) | |
H6P | 0.5883 | 0.4467 | 0.3771 | 0.071* | |
C1Q | 0.4959 (4) | 0.6602 (4) | 0.41614 (14) | 0.0450 (10) | |
C2Q | 0.5474 (4) | 0.7284 (4) | 0.40888 (16) | 0.0515 (12) | |
H2Q | 0.5456 | 0.7621 | 0.3806 | 0.062* | |
C3Q | 0.6012 (5) | 0.7479 (5) | 0.44204 (18) | 0.0710 (17) | |
H3Q | 0.6377 | 0.7930 | 0.4360 | 0.085* | |
C4Q | 0.6019 (6) | 0.7023 (6) | 0.4833 (2) | 0.089 (2) | |
H4Q | 0.6372 | 0.7169 | 0.5061 | 0.106* | |
C5Q | 0.5506 (7) | 0.6344 (6) | 0.49169 (19) | 0.092 (2) | |
H5Q | 0.5517 | 0.6017 | 0.5202 | 0.111* | |
C6Q | 0.4979 (5) | 0.6148 (5) | 0.45838 (16) | 0.0654 (15) | |
H6Q | 0.4622 | 0.5691 | 0.4645 | 0.079* | |
C1R | 0.2754 (4) | 0.7207 (3) | 0.37220 (15) | 0.0453 (10) | |
C2R | 0.2020 (4) | 0.7242 (4) | 0.34071 (17) | 0.0538 (12) | |
H2R | 0.2246 | 0.6803 | 0.3197 | 0.065* | |
C3R | 0.0943 (5) | 0.7914 (5) | 0.3391 (2) | 0.0717 (16) | |
H3R | 0.0456 | 0.7926 | 0.3171 | 0.086* | |
C4R | 0.0610 (5) | 0.8539 (5) | 0.3689 (3) | 0.083 (2) | |
H4R | −0.0112 | 0.8993 | 0.3678 | 0.100* | |
C5R | 0.1314 (5) | 0.8523 (5) | 0.4009 (3) | 0.087 (2) | |
H5R | 0.1075 | 0.8962 | 0.4219 | 0.105* | |
C6R | 0.2365 (4) | 0.7869 (4) | 0.4024 (2) | 0.0666 (15) | |
H6R | 0.2841 | 0.7867 | 0.4246 | 0.080* | |
C1S | 0.3057 (7) | 1.0325 (6) | 0.4751 (3) | 0.062 (3)* | 0.5 |
C2S | 0.1999 (7) | 1.0502 (6) | 0.4908 (4) | 0.090 (5)* | 0.5 |
H2S | 0.1489 | 1.1140 | 0.4883 | 0.108* | 0.5 |
C3S | 0.1688 (7) | 0.9745 (8) | 0.5102 (4) | 0.104 (5)* | 0.5 |
H3S | 0.0965 | 0.9865 | 0.5209 | 0.125* | 0.5 |
C4S | 0.2434 (10) | 0.8811 (7) | 0.5138 (4) | 0.098 (10)* | 0.5 |
H4S | 0.2221 | 0.8293 | 0.5271 | 0.118* | 0.5 |
C5S | 0.3492 (9) | 0.8634 (5) | 0.4982 (4) | 0.106 (5)* | 0.5 |
H5S | 0.4002 | 0.7996 | 0.5007 | 0.127* | 0.5 |
C6S | 0.3803 (6) | 0.9392 (6) | 0.4788 (3) | 0.076 (3)* | 0.5 |
H6S | 0.4526 | 0.9271 | 0.4681 | 0.092* | 0.5 |
C7S | 0.3454 (11) | 1.1104 (11) | 0.4548 (4) | 0.076 (4)* | 0.5 |
H7SA | 0.3632 | 1.1025 | 0.4242 | 0.115* | 0.5 |
H7SB | 0.4109 | 1.1069 | 0.4701 | 0.115* | 0.5 |
H7SC | 0.2884 | 1.1731 | 0.4569 | 0.115* | 0.5 |
C1X | 0.2949 (8) | 1.0073 (9) | 0.4778 (4) | 0.104 (6)* | 0.5 |
C2X | 0.1903 (10) | 1.0744 (7) | 0.4800 (4) | 0.105 (6)* | 0.5 |
H2X | 0.1767 | 1.1401 | 0.4696 | 0.126* | 0.5 |
C3X | 0.1055 (7) | 1.0454 (8) | 0.4976 (4) | 0.090 (4)* | 0.5 |
H3X | 0.0340 | 1.0912 | 0.4991 | 0.108* | 0.5 |
C4X | 0.1254 (9) | 0.9493 (8) | 0.5129 (4) | 0.109 (5)* | 0.5 |
H4X | 0.0675 | 0.9294 | 0.5249 | 0.131* | 0.5 |
C5X | 0.2300 (11) | 0.8822 (7) | 0.5106 (5) | 0.130 (14)* | 0.5 |
H5X | 0.2436 | 0.8165 | 0.5211 | 0.156* | 0.5 |
C6X | 0.3148 (8) | 0.9112 (8) | 0.4931 (4) | 0.095 (4)* | 0.5 |
H6X | 0.3863 | 0.8654 | 0.4915 | 0.114* | 0.5 |
C7X | 0.3879 (17) | 1.0422 (17) | 0.4589 (7) | 0.130 (7)* | 0.5 |
H7XA | 0.4300 | 1.0490 | 0.4828 | 0.195* | 0.5 |
H7XB | 0.3568 | 1.1044 | 0.4411 | 0.195* | 0.5 |
H7XC | 0.4360 | 0.9952 | 0.4409 | 0.195* | 0.5 |
C1T | 0.1240 (6) | 0.6299 (7) | 0.5276 (3) | 0.073 (3)* | 0.5 |
C2T | 0.0357 (8) | 0.6157 (7) | 0.5503 (2) | 0.083 (4)* | 0.5 |
H2T | 0.0455 | 0.5822 | 0.5788 | 0.099* | 0.5 |
C3T | −0.0670 (6) | 0.6505 (7) | 0.5312 (3) | 0.104 (5)* | 0.5 |
H3T | −0.1274 | 0.6407 | 0.5467 | 0.125* | 0.5 |
C4T | −0.0814 (6) | 0.6995 (7) | 0.4894 (3) | 0.070 (3)* | 0.5 |
H4T | −0.1516 | 0.7233 | 0.4764 | 0.084* | 0.5 |
C5T | 0.0070 (7) | 0.7137 (7) | 0.4667 (2) | 0.084 (4)* | 0.5 |
H5T | −0.0029 | 0.7472 | 0.4382 | 0.100* | 0.5 |
C6T | 0.1097 (6) | 0.6790 (7) | 0.4858 (3) | 0.088 (4)* | 0.5 |
H6T | 0.1700 | 0.6887 | 0.4702 | 0.106* | 0.5 |
C7T | 0.2353 (16) | 0.5905 (15) | 0.5468 (7) | 0.121 (6)* | 0.5 |
H7T1 | 0.2331 | 0.6124 | 0.5754 | 0.182* | 0.5 |
H7T2 | 0.2854 | 0.6130 | 0.5277 | 0.182* | 0.5 |
H7T3 | 0.2607 | 0.5201 | 0.5501 | 0.182* | 0.5 |
C1Y | 0.108 (2) | 0.633 (4) | 0.5063 (15) | 0.40 (4)* | 0.5 |
C2Y | 0.087 (2) | 0.560 (3) | 0.5335 (12) | 0.33 (3)* | 0.5 |
H2Y | 0.1431 | 0.5136 | 0.5511 | 0.395* | 0.5 |
C3Y | −0.017 (3) | 0.5539 (18) | 0.5347 (9) | 0.35 (3)* | 0.5 |
H3Y | −0.0318 | 0.5040 | 0.5533 | 0.414* | 0.5 |
C4Y | −0.0996 (17) | 0.6212 (18) | 0.5089 (8) | 0.145 (8)* | 0.5 |
H4Y | −0.1706 | 0.6173 | 0.5098 | 0.174* | 0.5 |
C5Y | −0.078 (3) | 0.6942 (19) | 0.4818 (10) | 0.39 (4)* | 0.5 |
H5Y | −0.1344 | 0.7402 | 0.4641 | 0.467* | 0.5 |
C6Y | 0.026 (4) | 0.700 (3) | 0.4805 (14) | 0.47 (5)* | 0.5 |
H6Y | 0.0405 | 0.7498 | 0.4620 | 0.566* | 0.5 |
C7Y | 0.226 (2) | 0.617 (2) | 0.5134 (10) | 0.185 (11)* | 0.5 |
H7Y1 | 0.2334 | 0.6404 | 0.5409 | 0.277* | 0.5 |
H7Y2 | 0.2520 | 0.6533 | 0.4894 | 0.277* | 0.5 |
H7Y3 | 0.2689 | 0.5488 | 0.5147 | 0.277* | 0.5 |
O1U | 0.7502 (3) | 0.7424 (2) | 0.20138 (10) | 0.0485 (8) | |
H1U | 0.7272 | 0.7584 | 0.1757 | 0.073* | |
C1U | 0.8417 (4) | 0.7727 (4) | 0.20348 (17) | 0.0540 (12) | |
H1UC | 0.8157 | 0.8444 | 0.1975 | 0.065* | |
C2U | 0.9283 (4) | 0.7327 (4) | 0.17137 (19) | 0.0602 (13) | |
H2UA | 0.9868 | 0.7588 | 0.1731 | 0.090* | |
H2UB | 0.8972 | 0.7503 | 0.1420 | 0.090* | |
H2UC | 0.9579 | 0.6625 | 0.1778 | 0.090* | |
C3U | 0.8854 (7) | 0.7437 (6) | 0.2494 (2) | 0.091 (2) | |
H3UA | 0.8997 | 0.6749 | 0.2576 | 0.137* | |
H3UB | 0.8314 | 0.7806 | 0.2694 | 0.137* | |
H3UC | 0.9533 | 0.7570 | 0.2510 | 0.137* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
O1W | 0.0447 (16) | 0.0372 (15) | 0.0314 (14) | −0.0087 (13) | −0.0032 (12) | −0.0065 (12) |
K1 | 0.0311 (4) | 0.0327 (4) | 0.0410 (5) | −0.0107 (3) | 0.0008 (3) | −0.0045 (3) |
K2 | 0.0375 (5) | 0.0471 (5) | 0.0421 (5) | −0.0181 (4) | 0.0026 (4) | −0.0162 (4) |
K3 | 0.0442 (5) | 0.0515 (6) | 0.0379 (5) | −0.0234 (4) | −0.0035 (4) | −0.0054 (4) |
K4 | 0.0367 (5) | 0.0409 (5) | 0.0395 (5) | −0.0136 (4) | −0.0023 (4) | −0.0023 (4) |
K5 | 0.0451 (5) | 0.0421 (5) | 0.0407 (5) | −0.0200 (4) | −0.0005 (4) | −0.0105 (4) |
K6 | 0.0379 (5) | 0.0399 (5) | 0.0445 (5) | −0.0139 (4) | −0.0026 (4) | −0.0071 (4) |
O1 | 0.0351 (14) | 0.0365 (15) | 0.0345 (14) | −0.0161 (12) | 0.0067 (11) | −0.0100 (11) |
Si1 | 0.0281 (5) | 0.0270 (5) | 0.0325 (5) | −0.0101 (4) | −0.0002 (4) | −0.0060 (4) |
C1A | 0.0259 (18) | 0.030 (2) | 0.035 (2) | −0.0095 (15) | 0.0016 (15) | −0.0025 (15) |
C2A | 0.035 (2) | 0.036 (2) | 0.045 (2) | −0.0086 (18) | −0.0004 (18) | −0.0056 (18) |
C3A | 0.035 (2) | 0.038 (2) | 0.057 (3) | −0.0072 (19) | −0.007 (2) | 0.004 (2) |
C4A | 0.036 (2) | 0.057 (3) | 0.055 (3) | −0.022 (2) | −0.015 (2) | 0.005 (2) |
C5A | 0.040 (2) | 0.046 (3) | 0.047 (2) | −0.021 (2) | −0.0116 (19) | −0.004 (2) |
C6A | 0.032 (2) | 0.032 (2) | 0.040 (2) | −0.0136 (17) | −0.0040 (16) | −0.0013 (16) |
C1B | 0.0293 (19) | 0.030 (2) | 0.042 (2) | −0.0097 (16) | −0.0052 (16) | −0.0028 (16) |
C2B | 0.042 (2) | 0.036 (2) | 0.044 (2) | −0.0177 (19) | 0.0034 (18) | −0.0097 (18) |
C3B | 0.048 (3) | 0.038 (2) | 0.058 (3) | −0.021 (2) | 0.001 (2) | −0.011 (2) |
C4B | 0.038 (2) | 0.035 (2) | 0.065 (3) | −0.0168 (19) | −0.004 (2) | −0.004 (2) |
C5B | 0.034 (2) | 0.040 (2) | 0.048 (3) | −0.0115 (18) | 0.0006 (18) | 0.0045 (19) |
C6B | 0.035 (2) | 0.035 (2) | 0.040 (2) | −0.0118 (17) | −0.0010 (17) | −0.0031 (17) |
C1C | 0.0291 (19) | 0.034 (2) | 0.0295 (19) | −0.0119 (16) | −0.0031 (15) | −0.0044 (15) |
C2C | 0.033 (2) | 0.032 (2) | 0.075 (3) | −0.0082 (18) | 0.004 (2) | −0.001 (2) |
C3C | 0.035 (3) | 0.039 (3) | 0.111 (5) | −0.001 (2) | 0.018 (3) | 0.005 (3) |
C4C | 0.042 (3) | 0.032 (2) | 0.085 (4) | 0.002 (2) | 0.007 (2) | −0.002 (2) |
C5C | 0.044 (2) | 0.028 (2) | 0.045 (2) | −0.0094 (18) | −0.0044 (19) | 0.0008 (17) |
C6C | 0.034 (2) | 0.033 (2) | 0.032 (2) | −0.0112 (17) | −0.0012 (16) | −0.0050 (16) |
O2 | 0.0312 (14) | 0.0375 (16) | 0.0476 (17) | −0.0094 (12) | −0.0067 (12) | −0.0067 (13) |
Si2 | 0.0287 (5) | 0.0311 (5) | 0.0394 (6) | −0.0093 (4) | −0.0011 (4) | −0.0065 (4) |
C1D | 0.0237 (18) | 0.029 (2) | 0.046 (2) | −0.0036 (15) | −0.0016 (16) | −0.0082 (17) |
C2D | 0.042 (2) | 0.038 (2) | 0.050 (3) | −0.0163 (19) | −0.0008 (19) | −0.0078 (19) |
C3D | 0.054 (3) | 0.037 (2) | 0.076 (4) | −0.022 (2) | 0.007 (3) | −0.017 (2) |
C4D | 0.036 (2) | 0.046 (3) | 0.069 (3) | −0.013 (2) | −0.006 (2) | −0.023 (2) |
C5D | 0.054 (3) | 0.048 (3) | 0.057 (3) | −0.015 (2) | −0.010 (2) | −0.013 (2) |
C6D | 0.047 (3) | 0.037 (2) | 0.054 (3) | −0.015 (2) | −0.010 (2) | −0.011 (2) |
C1E | 0.036 (2) | 0.034 (2) | 0.037 (2) | −0.0125 (17) | 0.0002 (16) | −0.0095 (17) |
C2E | 0.042 (2) | 0.041 (2) | 0.042 (2) | −0.0136 (19) | 0.0017 (19) | −0.0058 (19) |
C3E | 0.056 (3) | 0.051 (3) | 0.045 (3) | −0.026 (2) | 0.005 (2) | −0.005 (2) |
C4E | 0.076 (3) | 0.038 (2) | 0.041 (2) | −0.029 (2) | 0.006 (2) | −0.0066 (19) |
C5E | 0.063 (3) | 0.033 (3) | 0.075 (4) | 0.003 (2) | 0.015 (3) | 0.006 (2) |
C6E | 0.048 (3) | 0.038 (3) | 0.061 (3) | −0.002 (2) | 0.005 (2) | 0.005 (2) |
C1F | 0.040 (2) | 0.028 (2) | 0.044 (2) | −0.0094 (17) | −0.0022 (18) | −0.0014 (17) |
C2F | 0.057 (3) | 0.039 (2) | 0.041 (2) | −0.016 (2) | −0.002 (2) | −0.0049 (19) |
C3F | 0.088 (4) | 0.043 (3) | 0.046 (3) | −0.008 (3) | 0.005 (3) | −0.011 (2) |
C4F | 0.076 (4) | 0.053 (3) | 0.070 (4) | −0.009 (3) | 0.028 (3) | −0.014 (3) |
C5F | 0.048 (3) | 0.065 (4) | 0.090 (4) | −0.020 (3) | 0.026 (3) | −0.020 (3) |
C6F | 0.042 (3) | 0.052 (3) | 0.061 (3) | −0.014 (2) | 0.005 (2) | −0.017 (2) |
O3 | 0.0350 (15) | 0.0410 (16) | 0.0406 (16) | −0.0086 (13) | −0.0047 (12) | −0.0021 (13) |
Si3 | 0.0356 (6) | 0.0385 (6) | 0.0402 (6) | −0.0091 (5) | −0.0036 (5) | −0.0010 (5) |
C1G | 0.034 (2) | 0.042 (2) | 0.043 (2) | −0.0124 (18) | −0.0087 (18) | −0.0043 (18) |
C2G | 0.043 (3) | 0.046 (3) | 0.058 (3) | −0.012 (2) | 0.002 (2) | −0.001 (2) |
C3G | 0.054 (3) | 0.044 (3) | 0.070 (3) | −0.002 (2) | 0.009 (3) | −0.011 (2) |
C4G | 0.054 (3) | 0.059 (3) | 0.070 (4) | −0.016 (3) | 0.019 (3) | −0.012 (3) |
C5G | 0.058 (3) | 0.059 (3) | 0.061 (3) | −0.026 (3) | 0.009 (2) | −0.002 (2) |
C6G | 0.040 (2) | 0.048 (3) | 0.056 (3) | −0.013 (2) | 0.001 (2) | −0.005 (2) |
C1H | 0.042 (3) | 0.048 (3) | 0.059 (3) | −0.006 (2) | 0.007 (2) | 0.009 (2) |
C2H | 0.085 (4) | 0.038 (3) | 0.066 (3) | −0.020 (3) | 0.025 (3) | −0.011 (2) |
C3H | 0.097 (5) | 0.039 (3) | 0.105 (5) | −0.021 (3) | 0.054 (4) | −0.017 (3) |
C4H | 0.079 (5) | 0.063 (4) | 0.146 (8) | 0.003 (4) | 0.054 (5) | 0.044 (5) |
C5H | 0.070 (5) | 0.142 (8) | 0.156 (9) | −0.029 (5) | −0.014 (5) | 0.107 (7) |
C6H | 0.063 (4) | 0.116 (6) | 0.106 (6) | −0.030 (4) | −0.019 (4) | 0.069 (5) |
C1I | 0.049 (3) | 0.057 (3) | 0.039 (2) | −0.008 (2) | −0.012 (2) | −0.001 (2) |
C2I | 0.054 (3) | 0.067 (3) | 0.062 (3) | −0.019 (3) | −0.018 (2) | 0.000 (3) |
C3I | 0.075 (4) | 0.107 (5) | 0.076 (4) | −0.033 (4) | −0.027 (3) | −0.021 (4) |
C4I | 0.097 (6) | 0.130 (7) | 0.079 (5) | −0.040 (5) | −0.032 (4) | −0.037 (5) |
C5I | 0.097 (5) | 0.109 (6) | 0.064 (4) | −0.013 (4) | −0.020 (4) | −0.037 (4) |
C6I | 0.067 (4) | 0.079 (4) | 0.044 (3) | −0.011 (3) | −0.012 (2) | −0.009 (3) |
O4 | 0.0499 (17) | 0.0391 (16) | 0.0421 (16) | −0.0210 (14) | 0.0041 (13) | −0.0130 (13) |
Si4 | 0.0376 (6) | 0.0385 (6) | 0.0396 (6) | −0.0173 (5) | 0.0015 (5) | −0.0133 (5) |
C1J | 0.052 (3) | 0.036 (2) | 0.046 (2) | −0.025 (2) | 0.005 (2) | −0.0181 (19) |
C2J | 0.072 (3) | 0.042 (3) | 0.052 (3) | −0.026 (2) | −0.002 (2) | −0.013 (2) |
C3J | 0.105 (5) | 0.046 (3) | 0.046 (3) | −0.035 (3) | −0.001 (3) | −0.011 (2) |
C4J | 0.126 (6) | 0.052 (3) | 0.048 (3) | −0.049 (4) | 0.022 (3) | −0.016 (2) |
C5J | 0.089 (4) | 0.057 (3) | 0.067 (4) | −0.046 (3) | 0.033 (3) | −0.025 (3) |
C6J | 0.059 (3) | 0.048 (3) | 0.055 (3) | −0.024 (2) | 0.011 (2) | −0.019 (2) |
C1K | 0.038 (2) | 0.060 (3) | 0.045 (2) | −0.023 (2) | −0.0001 (19) | −0.018 (2) |
C2K | 0.061 (3) | 0.067 (3) | 0.046 (3) | −0.028 (3) | 0.001 (2) | −0.022 (2) |
C3K | 0.066 (4) | 0.106 (5) | 0.059 (3) | −0.043 (4) | 0.022 (3) | −0.031 (3) |
C4K | 0.042 (3) | 0.103 (5) | 0.082 (4) | −0.014 (3) | 0.011 (3) | −0.038 (4) |
C5K | 0.056 (3) | 0.073 (4) | 0.068 (4) | 0.001 (3) | 0.002 (3) | −0.026 (3) |
C6K | 0.053 (3) | 0.051 (3) | 0.059 (3) | −0.010 (2) | −0.002 (2) | −0.013 (2) |
C1L | 0.046 (3) | 0.052 (3) | 0.044 (2) | −0.024 (2) | 0.001 (2) | −0.006 (2) |
C2L | 0.055 (3) | 0.115 (5) | 0.059 (3) | −0.036 (3) | 0.002 (3) | −0.042 (3) |
C3L | 0.097 (6) | 0.226 (10) | 0.051 (4) | −0.102 (7) | 0.003 (4) | −0.050 (5) |
C4L | 0.102 (6) | 0.174 (9) | 0.080 (5) | −0.109 (7) | −0.045 (4) | 0.050 (5) |
C5L | 0.084 (5) | 0.073 (5) | 0.168 (8) | −0.043 (4) | −0.081 (5) | 0.031 (5) |
C6L | 0.058 (3) | 0.053 (3) | 0.126 (6) | −0.017 (3) | −0.027 (3) | −0.022 (3) |
O5 | 0.0389 (15) | 0.0310 (14) | 0.0391 (15) | −0.0142 (12) | −0.0018 (12) | −0.0096 (11) |
Si5 | 0.0331 (5) | 0.0308 (5) | 0.0334 (5) | −0.0138 (4) | −0.0018 (4) | −0.0066 (4) |
C1M | 0.040 (2) | 0.029 (2) | 0.043 (2) | −0.0182 (17) | −0.0010 (17) | −0.0063 (16) |
C2M | 0.034 (2) | 0.037 (2) | 0.049 (2) | −0.0152 (18) | −0.0002 (18) | −0.0123 (19) |
C3M | 0.040 (2) | 0.038 (2) | 0.063 (3) | −0.0170 (19) | 0.004 (2) | −0.020 (2) |
C4M | 0.037 (2) | 0.029 (2) | 0.081 (4) | −0.0067 (18) | −0.002 (2) | −0.011 (2) |
C5M | 0.042 (3) | 0.043 (3) | 0.069 (3) | −0.015 (2) | −0.014 (2) | 0.003 (2) |
C6M | 0.044 (2) | 0.039 (2) | 0.050 (3) | −0.017 (2) | −0.009 (2) | −0.0039 (19) |
C1N | 0.031 (2) | 0.034 (2) | 0.037 (2) | −0.0074 (16) | 0.0000 (16) | −0.0093 (17) |
C2N | 0.040 (2) | 0.039 (2) | 0.046 (2) | −0.0169 (19) | 0.0006 (18) | −0.0115 (19) |
C3N | 0.037 (2) | 0.050 (3) | 0.065 (3) | −0.013 (2) | −0.011 (2) | −0.025 (2) |
C4N | 0.038 (2) | 0.058 (3) | 0.050 (3) | 0.002 (2) | −0.012 (2) | −0.026 (2) |
C5N | 0.045 (3) | 0.053 (3) | 0.034 (2) | 0.002 (2) | 0.0002 (19) | −0.009 (2) |
C6N | 0.036 (2) | 0.049 (3) | 0.033 (2) | −0.0095 (19) | 0.0012 (17) | −0.0100 (18) |
C1O | 0.042 (2) | 0.041 (2) | 0.036 (2) | −0.0207 (19) | −0.0028 (17) | −0.0068 (18) |
C2O | 0.040 (2) | 0.051 (3) | 0.039 (2) | −0.018 (2) | −0.0010 (18) | −0.0082 (19) |
C3O | 0.053 (3) | 0.065 (3) | 0.048 (3) | −0.026 (3) | 0.008 (2) | −0.014 (2) |
C4O | 0.073 (4) | 0.069 (3) | 0.042 (3) | −0.041 (3) | 0.009 (2) | −0.013 (2) |
C5O | 0.079 (4) | 0.047 (3) | 0.036 (2) | −0.033 (3) | −0.001 (2) | −0.003 (2) |
C6O | 0.059 (3) | 0.041 (2) | 0.039 (2) | −0.026 (2) | 0.000 (2) | −0.0084 (19) |
O6 | 0.0436 (16) | 0.0420 (16) | 0.0339 (15) | −0.0147 (13) | −0.0009 (12) | −0.0026 (12) |
Si6 | 0.0376 (6) | 0.0464 (7) | 0.0306 (6) | −0.0167 (5) | −0.0005 (4) | −0.0029 (5) |
C1P | 0.059 (3) | 0.051 (3) | 0.026 (2) | −0.023 (2) | −0.0032 (19) | 0.0002 (18) |
C2P | 0.064 (3) | 0.063 (3) | 0.039 (2) | −0.036 (3) | −0.010 (2) | 0.007 (2) |
C3P | 0.106 (5) | 0.072 (4) | 0.044 (3) | −0.054 (4) | −0.011 (3) | 0.003 (3) |
C4P | 0.133 (6) | 0.061 (4) | 0.042 (3) | −0.048 (4) | 0.013 (3) | −0.009 (3) |
C5P | 0.108 (5) | 0.052 (3) | 0.057 (3) | −0.012 (3) | 0.026 (3) | −0.003 (3) |
C6P | 0.066 (3) | 0.052 (3) | 0.049 (3) | −0.012 (3) | 0.013 (2) | 0.003 (2) |
C1Q | 0.045 (2) | 0.059 (3) | 0.032 (2) | −0.021 (2) | −0.0029 (18) | −0.0020 (19) |
C2Q | 0.058 (3) | 0.064 (3) | 0.041 (2) | −0.031 (3) | −0.001 (2) | −0.002 (2) |
C3Q | 0.086 (4) | 0.100 (5) | 0.053 (3) | −0.063 (4) | −0.004 (3) | −0.009 (3) |
C4Q | 0.125 (6) | 0.124 (6) | 0.050 (3) | −0.084 (5) | −0.023 (4) | −0.002 (3) |
C5Q | 0.138 (6) | 0.126 (6) | 0.039 (3) | −0.085 (5) | −0.034 (3) | 0.019 (3) |
C6Q | 0.093 (4) | 0.090 (4) | 0.032 (2) | −0.057 (4) | −0.010 (2) | 0.004 (2) |
C1R | 0.041 (2) | 0.053 (3) | 0.049 (3) | −0.024 (2) | 0.0011 (19) | −0.008 (2) |
C2R | 0.045 (3) | 0.063 (3) | 0.056 (3) | −0.024 (2) | −0.004 (2) | −0.001 (2) |
C3R | 0.051 (3) | 0.072 (4) | 0.093 (5) | −0.027 (3) | −0.011 (3) | 0.004 (3) |
C4R | 0.048 (3) | 0.076 (4) | 0.125 (6) | −0.017 (3) | 0.008 (4) | −0.022 (4) |
C5R | 0.052 (3) | 0.091 (5) | 0.121 (6) | −0.017 (3) | 0.012 (4) | −0.048 (4) |
C6R | 0.047 (3) | 0.078 (4) | 0.078 (4) | −0.020 (3) | 0.006 (3) | −0.028 (3) |
O1U | 0.0490 (18) | 0.0536 (19) | 0.0459 (18) | −0.0203 (15) | −0.0003 (14) | −0.0096 (14) |
C1U | 0.055 (3) | 0.063 (3) | 0.056 (3) | −0.036 (3) | −0.004 (2) | −0.005 (2) |
C2U | 0.049 (3) | 0.059 (3) | 0.073 (4) | −0.023 (3) | −0.005 (3) | 0.000 (3) |
C3U | 0.127 (6) | 0.118 (6) | 0.059 (4) | −0.083 (5) | −0.020 (4) | 0.004 (4) |
Geometric parameters (Å, º) top
O1W—K6 | 2.886 (3) | C6I—H6I | 0.9500 |
O1W—K5 | 2.888 (3) | O4—Si4 | 1.585 (3) |
O1W—K4 | 2.959 (3) | Si4—C1K | 1.878 (5) |
O1W—K3 | 3.112 (3) | Si4—C1L | 1.891 (5) |
O1W—K1 | 3.260 (3) | Si4—C1J | 1.897 (5) |
O1W—K2 | 3.351 (3) | C1J—C6J | 1.390 (6) |
O1W—H1W | 0.8400 | C1J—C2J | 1.411 (7) |
O1W—H2W | 0.8400 | C2J—C3J | 1.375 (7) |
K1—O5 | 2.590 (3) | C2J—H2J | 0.9500 |
K1—O1 | 2.807 (3) | C3J—C4J | 1.372 (9) |
K1—O2 | 2.887 (3) | C3J—H3J | 0.9500 |
K1—C1D | 3.127 (4) | C4J—C5J | 1.360 (9) |
K1—C1A | 3.129 (4) | C4J—H4J | 0.9500 |
K1—C2A | 3.327 (4) | C5J—C6J | 1.393 (7) |
K1—C2D | 3.346 (4) | C5J—H5J | 0.9500 |
K1—C6D | 3.471 (5) | C6J—H6J | 0.9500 |
K1—C6A | 3.514 (4) | C1K—C2K | 1.390 (7) |
K1—Si1 | 3.5262 (14) | C1K—C6K | 1.399 (7) |
K1—Si2 | 3.5318 (16) | C2K—C3K | 1.399 (7) |
K1—H1W | 2.9267 | C2K—H2K | 0.9500 |
K1—H2W | 2.9065 | C3K—C4K | 1.387 (10) |
K2—O2 | 2.591 (3) | C3K—H3K | 0.9500 |
K2—O4 | 2.683 (3) | C4K—C5K | 1.359 (9) |
K2—O1 | 2.734 (3) | C4K—H4K | 0.9500 |
K2—O1U | 2.890 (3) | C5K—C6K | 1.389 (7) |
K2—C1J | 3.149 (4) | C5K—H5K | 0.9500 |
K2—C2J | 3.161 (5) | C6K—H6K | 0.9500 |
K2—Si4 | 3.5213 (15) | C1L—C6L | 1.381 (7) |
K2—K6 | 3.7506 (17) | C1L—C2L | 1.384 (7) |
K2—Si2 | 3.8436 (15) | C2L—C3L | 1.390 (9) |
K2—K4 | 3.9156 (15) | C2L—H2L | 0.9500 |
K2—H1U | 2.6210 | C3L—C4L | 1.360 (13) |
K3—O3 | 2.607 (3) | C3L—H3L | 0.9500 |
K3—O5 | 2.626 (3) | C4L—C5L | 1.340 (13) |
K3—O1U | 2.780 (3) | C4L—H4L | 0.9500 |
K3—O1 | 2.997 (3) | C5L—C6L | 1.399 (9) |
K3—C6C | 3.117 (4) | C5L—H5L | 0.9500 |
K3—C6G | 3.321 (5) | C6L—H6L | 0.9500 |
K3—Si3 | 3.6648 (17) | O5—Si5 | 1.587 (3) |
K3—Si5 | 3.7414 (15) | Si5—C1N | 1.876 (4) |
K3—K6 | 3.7562 (15) | Si5—C1M | 1.890 (4) |
K3—Si1 | 3.8822 (17) | Si5—C1O | 1.894 (4) |
K3—H2W | 2.6330 | C1M—C2M | 1.389 (6) |
K3—H1U | 2.7039 | C1M—C6M | 1.409 (6) |
K4—O4 | 2.588 (3) | C2M—C3M | 1.385 (6) |
K4—O6 | 2.658 (3) | C2M—H2M | 0.9500 |
K4—O2 | 2.896 (3) | C3M—C4M | 1.379 (7) |
K4—C2R | 3.188 (5) | C3M—H3M | 0.9500 |
K4—C2F | 3.239 (5) | C4M—C5M | 1.377 (7) |
K4—C1R | 3.354 (5) | C4M—H4M | 0.9500 |
K4—K6 | 3.5332 (15) | C5M—C6M | 1.387 (7) |
K4—Si6 | 3.5819 (17) | C5M—H5M | 0.9500 |
K4—Si4 | 3.7252 (16) | C6M—H6M | 0.9500 |
K4—Si2 | 3.7885 (16) | C1N—C6N | 1.402 (6) |
K4—H1W | 2.6352 | C1N—C2N | 1.408 (6) |
K5—O6 | 2.582 (3) | C2N—C3N | 1.379 (6) |
K5—O3 | 2.600 (3) | C2N—H2N | 0.9500 |
K5—C1O | 3.166 (4) | C3N—C4N | 1.378 (7) |
K5—C2O | 3.210 (4) | C3N—H3N | 0.9500 |
K5—C6O | 3.240 (4) | C4N—C5N | 1.395 (7) |
K5—C6P | 3.291 (5) | C4N—H4N | 0.9500 |
K5—C5O | 3.361 (5) | C5N—C6N | 1.374 (6) |
K5—C3O | 3.371 (5) | C5N—H5N | 0.9500 |
K5—C4O | 3.427 (5) | C6N—H6N | 0.9500 |
K5—C1P | 3.461 (4) | C1O—C2O | 1.377 (6) |
K5—K6 | 3.4916 (14) | C1O—C6O | 1.411 (6) |
K5—H2W | 2.8967 | C2O—C3O | 1.388 (6) |
K6—O6 | 2.655 (3) | C2O—H1O | 0.9500 |
K6—O4 | 2.665 (3) | C3O—C4O | 1.389 (8) |
K6—O3 | 2.750 (3) | C3O—H3O | 0.9500 |
K6—O1U | 2.974 (3) | C4O—C5O | 1.379 (7) |
K6—C6I | 3.255 (6) | C4O—H4O | 0.9500 |
K6—Si3 | 3.7835 (18) | C5O—C6O | 1.388 (6) |
O1—Si1 | 1.595 (3) | C5O—H5O | 0.9500 |
Si1—C1C | 1.886 (4) | C6O—H6O | 0.9500 |
Si1—C1B | 1.893 (4) | O6—Si6 | 1.579 (3) |
Si1—C1A | 1.893 (4) | Si6—C1Q | 1.878 (5) |
C1A—C2A | 1.390 (5) | Si6—C1P | 1.894 (5) |
C1A—C6A | 1.397 (6) | Si6—C1R | 1.898 (5) |
C2A—C3A | 1.382 (6) | C1P—C2P | 1.392 (7) |
C2A—H2A | 0.9500 | C1P—C6P | 1.396 (7) |
C3A—C4A | 1.390 (7) | C2P—C3P | 1.387 (7) |
C3A—H3A | 0.9500 | C2P—H2P | 0.9500 |
C4A—C5A | 1.376 (7) | C3P—C4P | 1.373 (9) |
C4A—H4A | 0.9500 | C3P—H3P | 0.9500 |
C5A—C6A | 1.399 (6) | C4P—C5P | 1.377 (10) |
C5A—H5A | 0.9500 | C4P—H4P | 0.9500 |
C6A—H6A | 0.9500 | C5P—C6P | 1.407 (8) |
C1B—C2B | 1.386 (6) | C5P—H5P | 0.9500 |
C1B—C6B | 1.395 (6) | C6P—H6P | 0.9500 |
C2B—C3B | 1.393 (6) | C1Q—C6Q | 1.392 (7) |
C2B—H2B | 0.9500 | C1Q—C2Q | 1.398 (7) |
C3B—C4B | 1.376 (7) | C2Q—C3Q | 1.390 (7) |
C3B—H3B | 0.9500 | C2Q—H2Q | 0.9500 |
C4B—C5B | 1.370 (7) | C3Q—C4Q | 1.367 (8) |
C4B—H4B | 0.9500 | C3Q—H3Q | 0.9500 |
C5B—C6B | 1.393 (6) | C4Q—C5Q | 1.394 (9) |
C5B—H5B | 0.9500 | C4Q—H4Q | 0.9500 |
C6B—H6B | 0.9500 | C5Q—C6Q | 1.384 (8) |
C1C—C2C | 1.391 (6) | C5Q—H5Q | 0.9500 |
C1C—C6C | 1.400 (5) | C6Q—H6Q | 0.9500 |
C2C—C3C | 1.387 (6) | C1R—C2R | 1.386 (7) |
C2C—H2C | 0.9500 | C1R—C6R | 1.399 (7) |
C3C—C4C | 1.379 (7) | C2R—C3R | 1.414 (8) |
C3C—H3C | 0.9500 | C2R—H2R | 0.9500 |
C4C—C5C | 1.375 (7) | C3R—C4R | 1.349 (9) |
C4C—H4C | 0.9500 | C3R—H3R | 0.9500 |
C5C—C6C | 1.388 (6) | C4R—C5R | 1.378 (10) |
C5C—H5C | 0.9500 | C4R—H4R | 0.9500 |
C6C—H6C | 0.9500 | C5R—C6R | 1.380 (8) |
O2—Si2 | 1.593 (3) | C5R—H5R | 0.9500 |
Si2—C1F | 1.875 (4) | C6R—H6R | 0.9500 |
Si2—C1E | 1.881 (4) | C1S—C2S | 1.3900 |
Si2—C1D | 1.891 (4) | C1S—C6S | 1.3900 |
C1D—C6D | 1.397 (6) | C1S—C7S | 1.492 (16) |
C1D—C2D | 1.399 (6) | C2S—C3S | 1.3900 |
C2D—C3D | 1.390 (6) | C2S—H2S | 0.9500 |
C2D—H2D | 0.9500 | C3S—C4S | 1.3900 |
C3D—C4D | 1.378 (7) | C3S—H3S | 0.9500 |
C3D—H3D | 0.9500 | C4S—C5S | 1.3900 |
C4D—C5D | 1.367 (7) | C4S—H4S | 0.9500 |
C4D—H4D | 0.9500 | C5S—C6S | 1.3900 |
C5D—C6D | 1.387 (6) | C5S—H5S | 0.9500 |
C5D—H5D | 0.9500 | C6S—H6S | 0.9500 |
C6D—H6D | 0.9500 | C7S—H7SA | 0.9800 |
C1E—C6E | 1.384 (6) | C7S—H7SB | 0.9800 |
C1E—C2E | 1.386 (6) | C7S—H7SC | 0.9800 |
C2E—C3E | 1.379 (6) | C1X—C2X | 1.3900 |
C2E—H2E | 0.9500 | C1X—C6X | 1.3900 |
C3E—C4E | 1.361 (7) | C1X—C7X | 1.55 (2) |
C3E—H3E | 0.9500 | C2X—C3X | 1.3900 |
C4E—C5E | 1.372 (7) | C2X—H2X | 0.9500 |
C4E—H4E | 0.9500 | C3X—C4X | 1.3900 |
C5E—C6E | 1.391 (7) | C3X—H3X | 0.9500 |
C5E—H5E | 0.9500 | C4X—C5X | 1.3900 |
C6E—H6E | 0.9500 | C4X—H4X | 0.9500 |
C1F—C6F | 1.394 (6) | C5X—C6X | 1.3900 |
C1F—C2F | 1.411 (6) | C5X—H5X | 0.9500 |
C2F—C3F | 1.380 (7) | C6X—H6X | 0.9500 |
C2F—H2F | 0.9500 | C7X—H7XA | 0.9800 |
C3F—C4F | 1.381 (9) | C7X—H7XB | 0.9800 |
C3F—H3F | 0.9500 | C7X—H7XC | 0.9800 |
C4F—C5F | 1.384 (9) | C1T—C2T | 1.3900 |
C4F—H4F | 0.9500 | C1T—C6T | 1.3900 |
C5F—C6F | 1.385 (7) | C1T—C7T | 1.49 (2) |
C5F—H5F | 0.9500 | C2T—C3T | 1.3900 |
C6F—H6F | 0.9500 | C2T—H2T | 0.9500 |
O3—Si3 | 1.585 (3) | C3T—C4T | 1.3900 |
Si3—C1H | 1.877 (5) | C3T—H3T | 0.9500 |
Si3—C1G | 1.891 (4) | C4T—C5T | 1.3900 |
Si3—C1I | 1.894 (5) | C4T—H4T | 0.9500 |
C1G—C2G | 1.395 (6) | C5T—C6T | 1.3900 |
C1G—C6G | 1.400 (6) | C5T—H5T | 0.9500 |
C2G—C3G | 1.385 (7) | C6T—H6T | 0.9500 |
C2G—H2G | 0.9500 | C7T—H7T1 | 0.9800 |
C3G—C4G | 1.387 (8) | C7T—H7T2 | 0.9800 |
C3G—H3G | 0.9500 | C7T—H7T3 | 0.9800 |
C4G—C5G | 1.373 (8) | C1Y—C2Y | 1.3900 |
C4G—H4G | 0.9500 | C1Y—C6Y | 1.3900 |
C5G—C6G | 1.393 (7) | C1Y—C7Y | 1.50 (4) |
C5G—H5G | 0.9500 | C2Y—C3Y | 1.3900 |
C6G—H6G | 0.9500 | C2Y—H2Y | 0.9500 |
C1H—C6H | 1.394 (8) | C3Y—C4Y | 1.3900 |
C1H—C2H | 1.401 (8) | C3Y—H3Y | 0.9500 |
C2H—C3H | 1.410 (8) | C4Y—C5Y | 1.3900 |
C2H—H2H | 0.9500 | C4Y—H4Y | 0.9500 |
C3H—C4H | 1.353 (12) | C5Y—C6Y | 1.3900 |
C3H—H3H | 0.9500 | C5Y—H5Y | 0.9500 |
C4H—C5H | 1.369 (14) | C6Y—H6Y | 0.9500 |
C4H—H4H | 0.9500 | C7Y—H7Y1 | 0.9800 |
C5H—C6H | 1.390 (10) | C7Y—H7Y2 | 0.9800 |
C5H—H5H | 0.9500 | C7Y—H7Y3 | 0.9800 |
C6H—H6H | 0.9500 | O1U—C1U | 1.427 (6) |
C1I—C2I | 1.393 (7) | O1U—H1U | 0.8400 |
C1I—C6I | 1.415 (7) | C1U—C2U | 1.485 (7) |
C2I—C3I | 1.383 (8) | C1U—C3U | 1.512 (8) |
C2I—H2I | 0.9500 | C1U—H1UC | 1.0000 |
C3I—C4I | 1.377 (10) | C2U—H2UA | 0.9800 |
C3I—H3I | 0.9500 | C2U—H2UB | 0.9800 |
C4I—C5I | 1.373 (11) | C2U—H2UC | 0.9800 |
C4I—H4I | 0.9500 | C3U—H3UA | 0.9800 |
C5I—C6I | 1.392 (9) | C3U—H3UB | 0.9800 |
C5I—H5I | 0.9500 | C3U—H3UC | 0.9800 |
| | | |
K6—O1W—K5 | 74.42 (7) | C3C—C2C—H2C | 119.4 |
K6—O1W—K4 | 74.37 (7) | C1C—C2C—H2C | 119.4 |
K5—O1W—K4 | 93.02 (8) | C4C—C3C—C2C | 120.8 (5) |
K6—O1W—K3 | 77.44 (7) | C4C—C3C—H3C | 119.6 |
K5—O1W—K3 | 87.49 (8) | C2C—C3C—H3C | 119.6 |
K4—O1W—K3 | 150.55 (11) | C5C—C4C—C3C | 119.6 (4) |
K6—O1W—K1 | 138.44 (10) | C5C—C4C—H4C | 120.2 |
K5—O1W—K1 | 137.33 (10) | C3C—C4C—H4C | 120.2 |
K4—O1W—K1 | 118.48 (9) | C4C—C5C—C6C | 119.3 (4) |
K3—O1W—K1 | 78.41 (7) | C4C—C5C—H5C | 120.3 |
K6—O1W—K2 | 73.51 (7) | C6C—C5C—H5C | 120.3 |
K5—O1W—K2 | 147.87 (10) | C5C—C6C—C1C | 122.5 (4) |
K4—O1W—K2 | 76.43 (7) | C5C—C6C—K3 | 108.3 (3) |
K3—O1W—K2 | 87.61 (8) | C1C—C6C—K3 | 97.2 (2) |
K1—O1W—K2 | 72.16 (6) | C5C—C6C—H6C | 118.8 |
K6—O1W—H1W | 124.0 | C1C—C6C—H6C | 118.8 |
K5—O1W—H1W | 133.4 | K3—C6C—H6C | 62.8 |
K4—O1W—H1W | 59.6 | Si2—O2—K2 | 131.99 (16) |
K3—O1W—H1W | 135.4 | Si2—O2—K1 | 100.02 (13) |
K1—O1W—H1W | 59.7 | K2—O2—K1 | 90.41 (9) |
K2—O1W—H1W | 66.6 | Si2—O2—K4 | 111.82 (14) |
K6—O1W—H2W | 121.8 | K2—O2—K4 | 90.87 (9) |
K5—O1W—H2W | 82.3 | K1—O2—K4 | 135.14 (11) |
K4—O1W—H2W | 160.5 | O2—Si2—C1F | 114.07 (18) |
K3—O1W—H2W | 48.6 | O2—Si2—C1E | 112.81 (17) |
K1—O1W—H2W | 58.2 | C1F—Si2—C1E | 105.91 (18) |
K2—O1W—H2W | 116.9 | O2—Si2—C1D | 109.36 (16) |
H1W—O1W—H2W | 110.8 | C1F—Si2—C1D | 108.62 (18) |
O5—K1—O1 | 87.60 (9) | C1E—Si2—C1D | 105.65 (18) |
O5—K1—O2 | 101.77 (9) | C1F—Si2—K1 | 151.90 (13) |
O1—K1—O2 | 86.13 (8) | C1E—Si2—K1 | 102.17 (13) |
O5—K1—C1D | 118.32 (10) | C1D—Si2—K1 | 62.00 (11) |
O1—K1—C1D | 136.62 (9) | C1F—Si2—K4 | 68.91 (14) |
O2—K1—C1D | 56.35 (9) | C1E—Si2—K4 | 129.49 (13) |
O5—K1—C1A | 114.40 (10) | C1D—Si2—K4 | 123.97 (13) |
O1—K1—C1A | 57.46 (9) | K1—Si2—K4 | 93.76 (4) |
O2—K1—C1A | 125.28 (9) | C1F—Si2—K2 | 120.48 (14) |
C1D—K1—C1A | 125.10 (11) | C1E—Si2—K2 | 83.25 (13) |
O5—K1—O1W | 52.46 (8) | C1D—Si2—K2 | 125.51 (12) |
O1—K1—O1W | 75.13 (8) | K1—Si2—K2 | 63.56 (3) |
O2—K1—O1W | 50.69 (8) | K4—Si2—K2 | 61.73 (3) |
C1D—K1—O1W | 93.17 (10) | C6D—C1D—C2D | 115.8 (4) |
C1A—K1—O1W | 132.10 (9) | C6D—C1D—Si2 | 123.6 (3) |
O5—K1—C2A | 139.02 (10) | C2D—C1D—Si2 | 120.3 (3) |
O1—K1—C2A | 68.14 (10) | C6D—C1D—K1 | 92.1 (3) |
O2—K1—C2A | 108.61 (10) | C2D—C1D—K1 | 86.5 (2) |
C1D—K1—C2A | 101.44 (11) | Si2—C1D—K1 | 85.73 (13) |
C1A—K1—C2A | 24.62 (10) | C3D—C2D—C1D | 122.3 (5) |
O1W—K1—C2A | 139.30 (10) | C3D—C2D—K1 | 102.3 (3) |
O5—K1—C2D | 94.86 (10) | C1D—C2D—K1 | 68.9 (2) |
O1—K1—C2D | 151.45 (10) | C3D—C2D—H2D | 118.8 |
O2—K1—C2D | 65.50 (10) | C1D—C2D—H2D | 118.8 |
C1D—K1—C2D | 24.66 (10) | K1—C2D—H2D | 98.8 |
C1A—K1—C2D | 142.62 (11) | C4D—C3D—C2D | 119.7 (4) |
O1W—K1—C2D | 83.88 (10) | C4D—C3D—H3D | 120.1 |
C2A—K1—C2D | 122.38 (11) | C2D—C3D—H3D | 120.1 |
O5—K1—C6D | 133.28 (11) | C5D—C4D—C3D | 119.6 (4) |
O1—K1—C6D | 137.36 (10) | C5D—C4D—H4D | 120.2 |
O2—K1—C6D | 75.34 (9) | C3D—C4D—H4D | 120.2 |
C1D—K1—C6D | 23.72 (11) | C4D—C5D—C6D | 120.5 (5) |
C1A—K1—C6D | 103.50 (11) | C4D—C5D—H5D | 119.8 |
O1W—K1—C6D | 116.84 (10) | C6D—C5D—H5D | 119.8 |
C2A—K1—C6D | 81.77 (11) | C5D—C6D—C1D | 122.0 (4) |
C2D—K1—C6D | 40.62 (12) | C5D—C6D—K1 | 101.7 (3) |
O5—K1—C6A | 102.99 (9) | C1D—C6D—K1 | 64.2 (2) |
O1—K1—C6A | 74.97 (9) | C5D—C6D—H6D | 119.0 |
O2—K1—C6A | 147.97 (9) | C1D—C6D—H6D | 119.0 |
C1D—K1—C6A | 125.05 (11) | K1—C6D—H6D | 103.9 |
C1A—K1—C6A | 23.36 (9) | C6E—C1E—C2E | 116.6 (4) |
O1W—K1—C6A | 141.73 (9) | C6E—C1E—Si2 | 121.9 (3) |
C2A—K1—C6A | 40.36 (10) | C2E—C1E—Si2 | 121.5 (3) |
C2D—K1—C6A | 131.44 (11) | C3E—C2E—C1E | 122.2 (4) |
C6D—K1—C6A | 101.33 (11) | C3E—C2E—H2E | 118.9 |
O5—K1—Si1 | 95.65 (7) | C1E—C2E—H2E | 118.9 |
O1—K1—Si1 | 26.16 (6) | C4E—C3E—C2E | 120.6 (4) |
O2—K1—Si1 | 108.69 (6) | C4E—C3E—H3E | 119.7 |
C1D—K1—Si1 | 144.24 (8) | C2E—C3E—H3E | 119.7 |
C1A—K1—Si1 | 32.36 (7) | C3E—C4E—C5E | 118.5 (4) |
O1W—K1—Si1 | 99.75 (6) | C3E—C4E—H4E | 120.8 |
C2A—K1—Si1 | 49.03 (8) | C5E—C4E—H4E | 120.8 |
C2D—K1—Si1 | 168.90 (8) | C4E—C5E—C6E | 121.2 (5) |
C6D—K1—Si1 | 130.01 (9) | C4E—C5E—H5E | 119.4 |
C6A—K1—Si1 | 48.88 (7) | C6E—C5E—H5E | 119.4 |
O5—K1—Si2 | 119.55 (7) | C1E—C6E—C5E | 120.8 (5) |
O1—K1—Si2 | 105.50 (6) | C1E—C6E—H6E | 119.6 |
O2—K1—Si2 | 26.36 (6) | C5E—C6E—H6E | 119.6 |
C1D—K1—Si2 | 32.27 (8) | C6F—C1F—C2F | 116.6 (4) |
C1A—K1—Si2 | 122.36 (8) | C6F—C1F—Si2 | 123.1 (3) |
O1W—K1—Si2 | 74.03 (6) | C2F—C1F—Si2 | 120.1 (3) |
C2A—K1—Si2 | 99.10 (8) | C3F—C2F—C1F | 121.8 (5) |
C2D—K1—Si2 | 49.11 (8) | C3F—C2F—K4 | 114.6 (3) |
C6D—K1—Si2 | 49.04 (8) | C1F—C2F—K4 | 91.7 (3) |
C6A—K1—Si2 | 137.46 (7) | C3F—C2F—H2F | 119.1 |
Si1—K1—Si2 | 121.60 (4) | C1F—C2F—H2F | 119.1 |
O5—K1—H1W | 64.5 | K4—C2F—H2F | 62.6 |
O1—K1—H1W | 82.0 | C2F—C3F—C4F | 119.6 (5) |
O2—K1—H1W | 37.4 | C2F—C3F—H3F | 120.2 |
C1D—K1—H1W | 79.7 | C4F—C3F—H3F | 120.2 |
C1A—K1—H1W | 139.1 | C3F—C4F—C5F | 120.5 (5) |
O1W—K1—H1W | 14.3 | C3F—C4F—H4F | 119.8 |
C2A—K1—H1W | 137.6 | C5F—C4F—H4F | 119.8 |
C2D—K1—H1W | 73.6 | C4F—C5F—C6F | 119.3 (5) |
C6D—K1—H1W | 103.2 | C4F—C5F—H5F | 120.3 |
C6A—K1—H1W | 154.4 | C6F—C5F—H5F | 120.3 |
Si1—K1—H1W | 108.0 | C5F—C6F—C1F | 122.2 (5) |
Si2—K1—H1W | 59.8 | C5F—C6F—H6F | 118.9 |
O5—K1—H2W | 38.3 | C1F—C6F—H6F | 118.9 |
O1—K1—H2W | 76.8 | Si3—O3—K5 | 128.63 (16) |
O2—K1—H2W | 64.6 | Si3—O3—K3 | 119.95 (15) |
C1D—K1—H2W | 101.7 | K5—O3—K3 | 105.76 (10) |
C1A—K1—H2W | 129.8 | Si3—O3—K6 | 119.14 (15) |
O1W—K1—H2W | 14.2 | K5—O3—K6 | 81.43 (8) |
C2A—K1—H2W | 144.8 | K3—O3—K6 | 89.01 (9) |
C2D—K1—H2W | 87.6 | O3—Si3—C1H | 113.2 (2) |
C6D—K1—H2W | 125.2 | O3—Si3—C1G | 113.52 (18) |
C6A—K1—H2W | 132.4 | C1H—Si3—C1G | 106.4 (2) |
Si1—K1—H2W | 98.5 | O3—Si3—C1I | 112.06 (19) |
Si2—K1—H2W | 86.9 | C1H—Si3—C1I | 107.2 (2) |
H1W—K1—H2W | 27.4 | C1G—Si3—C1I | 103.7 (2) |
O2—K2—O4 | 88.06 (10) | C1H—Si3—K3 | 133.75 (19) |
O2—K2—O1 | 93.78 (9) | C1G—Si3—K3 | 76.06 (13) |
O4—K2—O1 | 138.89 (9) | C1I—Si3—K3 | 117.14 (16) |
O2—K2—O1U | 123.65 (10) | C1H—Si3—K6 | 126.87 (15) |
O4—K2—O1U | 89.33 (10) | C1G—Si3—K6 | 125.67 (14) |
O1—K2—O1U | 55.98 (9) | C1I—Si3—K6 | 72.66 (15) |
O2—K2—C1J | 116.06 (11) | K3—Si3—K6 | 60.54 (3) |
O4—K2—C1J | 57.65 (11) | C1H—Si3—K5 | 82.18 (16) |
O1—K2—C1J | 148.28 (10) | C1G—Si3—K5 | 134.89 (13) |
O1U—K2—C1J | 109.31 (11) | C1I—Si3—K5 | 116.02 (16) |
O2—K2—C2J | 100.16 (12) | K3—Si3—K5 | 67.59 (4) |
O4—K2—C2J | 74.39 (11) | K6—Si3—K5 | 54.85 (3) |
O1—K2—C2J | 144.63 (12) | C2G—C1G—C6G | 116.0 (4) |
O1U—K2—C2J | 132.84 (12) | C2G—C1G—Si3 | 123.8 (3) |
C1J—K2—C2J | 25.83 (13) | C6G—C1G—Si3 | 120.1 (3) |
O2—K2—O1W | 51.09 (8) | C3G—C2G—C1G | 121.7 (5) |
O4—K2—O1W | 75.05 (8) | C3G—C2G—H2G | 119.2 |
O1—K2—O1W | 74.51 (8) | C1G—C2G—H2G | 119.2 |
O1U—K2—O1W | 73.99 (8) | C2G—C3G—C4G | 120.6 (5) |
C1J—K2—O1W | 132.22 (10) | C2G—C3G—H3G | 119.7 |
C2J—K2—O1W | 138.26 (11) | C4G—C3G—H3G | 119.7 |
O2—K2—Si4 | 100.48 (7) | C5G—C4G—C3G | 119.5 (5) |
O4—K2—Si4 | 25.27 (6) | C5G—C4G—H4G | 120.2 |
O1—K2—Si4 | 156.30 (7) | C3G—C4G—H4G | 120.2 |
O1U—K2—Si4 | 100.33 (7) | C4G—C5G—C6G | 119.3 (5) |
C1J—K2—Si4 | 32.43 (9) | C4G—C5G—H5G | 120.4 |
C2J—K2—Si4 | 50.75 (10) | C6G—C5G—H5G | 120.4 |
O1W—K2—Si4 | 99.96 (6) | C5G—C6G—C1G | 122.9 (5) |
O2—K2—K6 | 91.57 (7) | C5G—C6G—K3 | 121.9 (4) |
O4—K2—K6 | 45.27 (7) | C1G—C6G—K3 | 94.2 (3) |
O1—K2—K6 | 93.62 (7) | C5G—C6G—H6G | 118.5 |
O1U—K2—K6 | 51.23 (7) | C1G—C6G—H6G | 118.5 |
C1J—K2—K6 | 95.93 (9) | K3—C6G—H6G | 51.0 |
C2J—K2—K6 | 118.09 (10) | C6H—C1H—C2H | 116.7 (6) |
O1W—K2—K6 | 47.54 (5) | C6H—C1H—Si3 | 121.4 (5) |
Si4—K2—K6 | 67.36 (3) | C2H—C1H—Si3 | 121.9 (4) |
O2—K2—Si2 | 17.94 (7) | C1H—C2H—C3H | 121.2 (6) |
O4—K2—Si2 | 94.85 (7) | C1H—C2H—H2H | 119.4 |
O1—K2—Si2 | 99.32 (7) | C3H—C2H—H2H | 119.4 |
O1U—K2—Si2 | 140.16 (7) | C4H—C3H—C2H | 120.0 (8) |
C1J—K2—Si2 | 106.24 (9) | C4H—C3H—H3H | 120.0 |
C2J—K2—Si2 | 86.02 (11) | C2H—C3H—H3H | 120.0 |
O1W—K2—Si2 | 68.98 (6) | C3H—C4H—C5H | 120.1 (7) |
Si4—K2—Si2 | 100.01 (4) | C3H—C4H—H4H | 120.0 |
K6—K2—Si2 | 108.08 (4) | C5H—C4H—H4H | 120.0 |
O2—K2—K1 | 47.86 (7) | C4H—C5H—C6H | 120.8 (8) |
O4—K2—K1 | 125.14 (7) | C4H—C5H—H5H | 119.6 |
O1—K2—K1 | 46.13 (6) | C6H—C5H—H5H | 119.6 |
O1U—K2—K1 | 91.48 (7) | C5H—C6H—C1H | 121.2 (8) |
C1J—K2—K1 | 159.22 (9) | C5H—C6H—H6H | 119.4 |
C2J—K2—K1 | 134.18 (10) | C1H—C6H—H6H | 119.4 |
O1W—K2—K1 | 52.84 (5) | C2I—C1I—C6I | 116.3 (5) |
Si4—K2—K1 | 146.03 (4) | C2I—C1I—Si3 | 123.6 (4) |
K6—K2—K1 | 97.48 (3) | C6I—C1I—Si3 | 120.0 (4) |
Si2—K2—K1 | 54.31 (3) | C3I—C2I—C1I | 122.7 (6) |
O2—K2—K4 | 47.70 (7) | C3I—C2I—H2I | 118.6 |
O4—K2—K4 | 41.11 (6) | C1I—C2I—H2I | 118.6 |
O1—K2—K4 | 121.39 (6) | C4I—C3I—C2I | 119.3 (7) |
O1U—K2—K4 | 104.96 (7) | C4I—C3I—H3I | 120.4 |
C1J—K2—K4 | 88.42 (8) | C2I—C3I—H3I | 120.4 |
C2J—K2—K4 | 91.30 (10) | C5I—C4I—C3I | 120.5 (7) |
O1W—K2—K4 | 47.28 (5) | C5I—C4I—H4I | 119.7 |
Si4—K2—K4 | 59.84 (3) | C3I—C4I—H4I | 119.7 |
K6—K2—K4 | 54.84 (3) | C4I—C5I—C6I | 120.1 (7) |
Si2—K2—K4 | 58.44 (3) | C4I—C5I—H5I | 120.0 |
K1—K2—K4 | 86.41 (3) | C6I—C5I—H5I | 120.0 |
O2—K2—H1U | 120.3 | C5I—C6I—C1I | 121.0 (6) |
O4—K2—H1U | 105.7 | C5I—C6I—K6 | 113.1 (4) |
O1—K2—H1U | 40.0 | C1I—C6I—K6 | 96.5 (3) |
O1U—K2—H1U | 16.6 | C5I—C6I—H6I | 119.5 |
C1J—K2—H1U | 120.3 | C1I—C6I—H6I | 119.5 |
C2J—K2—H1U | 139.5 | K6—C6I—H6I | 59.1 |
O1W—K2—H1U | 76.5 | Si4—O4—K4 | 124.68 (16) |
Si4—K2—H1U | 116.4 | Si4—O4—K6 | 142.33 (17) |
K6—K2—H1U | 65.2 | K4—O4—K6 | 84.52 (9) |
Si2—K2—H1U | 133.3 | Si4—O4—K2 | 108.43 (15) |
K1—K2—H1U | 79.9 | K4—O4—K2 | 95.92 (10) |
K4—K2—H1U | 115.7 | K6—O4—K2 | 89.06 (9) |
O3—K3—O5 | 101.18 (9) | O4—Si4—C1K | 115.49 (19) |
O3—K3—O1U | 90.92 (10) | O4—Si4—C1L | 111.9 (2) |
O5—K3—O1U | 124.70 (10) | C1K—Si4—C1L | 103.8 (2) |
O3—K3—O1 | 136.33 (9) | O4—Si4—C1J | 109.10 (17) |
O5—K3—O1 | 83.07 (8) | C1K—Si4—C1J | 107.4 (2) |
O1U—K3—O1 | 54.29 (9) | C1L—Si4—C1J | 108.9 (2) |
O3—K3—O1W | 73.13 (9) | C1K—Si4—K2 | 126.16 (14) |
O5—K3—O1W | 54.31 (8) | C1L—Si4—K2 | 129.85 (15) |
O1U—K3—O1W | 79.41 (9) | C1J—Si4—K2 | 62.93 (12) |
O1—K3—O1W | 74.90 (8) | C1K—Si4—K4 | 80.78 (14) |
O3—K3—C6C | 155.41 (10) | C1L—Si4—K4 | 126.94 (15) |
O5—K3—C6C | 82.19 (10) | C1J—Si4—K4 | 120.14 (13) |
O1U—K3—C6C | 107.31 (10) | K2—Si4—K4 | 65.34 (3) |
O1—K3—C6C | 68.11 (9) | C6J—C1J—C2J | 116.3 (5) |
O1W—K3—C6C | 125.51 (10) | C6J—C1J—Si4 | 122.3 (4) |
O3—K3—C6G | 69.79 (11) | C2J—C1J—Si4 | 120.5 (3) |
O5—K3—C6G | 148.97 (11) | C6J—C1J—K2 | 98.6 (3) |
O1U—K3—C6G | 85.83 (11) | C2J—C1J—K2 | 77.6 (2) |
O1—K3—C6G | 124.50 (10) | Si4—C1J—K2 | 84.63 (14) |
O1W—K3—C6G | 139.68 (10) | C3J—C2J—C1J | 121.8 (5) |
C6C—K3—C6G | 94.66 (12) | C3J—C2J—K2 | 98.7 (3) |
O3—K3—Si3 | 22.00 (6) | C1J—C2J—K2 | 76.6 (3) |
O5—K3—Si3 | 117.72 (7) | C3J—C2J—H2J | 119.1 |
O1U—K3—Si3 | 92.12 (8) | C1J—C2J—H2J | 119.1 |
O1—K3—Si3 | 145.88 (6) | K2—C2J—H2J | 94.7 |
O1W—K3—Si3 | 94.93 (6) | C4J—C3J—C2J | 119.8 (6) |
C6C—K3—Si3 | 137.16 (8) | C4J—C3J—H3J | 120.1 |
C6G—K3—Si3 | 48.07 (9) | C2J—C3J—H3J | 120.1 |
O3—K3—Si5 | 93.26 (7) | C5J—C4J—C3J | 120.4 (5) |
O5—K3—Si5 | 20.73 (6) | C5J—C4J—H4J | 119.8 |
O1U—K3—Si5 | 144.79 (8) | C3J—C4J—H4J | 119.8 |
O1—K3—Si5 | 101.88 (6) | C4J—C5J—C6J | 120.0 (6) |
O1W—K3—Si5 | 68.51 (6) | C4J—C5J—H5J | 120.0 |
C6C—K3—Si5 | 81.40 (8) | C6J—C5J—H5J | 120.0 |
C6G—K3—Si5 | 128.23 (9) | C1J—C6J—C5J | 121.5 (5) |
Si3—K3—Si5 | 104.39 (4) | C1J—C6J—H6J | 119.2 |
O3—K3—K6 | 47.05 (7) | C5J—C6J—H6J | 119.2 |
O5—K3—K6 | 101.65 (7) | C2K—C1K—C6K | 116.3 (4) |
O1U—K3—K6 | 51.53 (7) | C2K—C1K—Si4 | 119.1 (4) |
O1—K3—K6 | 89.35 (6) | C6K—C1K—Si4 | 124.2 (4) |
O1W—K3—K6 | 48.58 (6) | C1K—C2K—C3K | 121.1 (6) |
C6C—K3—K6 | 156.67 (8) | C1K—C2K—H2K | 119.5 |
C6G—K3—K6 | 93.35 (9) | C3K—C2K—H2K | 119.5 |
Si3—K3—K6 | 61.29 (3) | C4K—C3K—C2K | 120.9 (6) |
Si5—K3—K6 | 110.27 (4) | C4K—C3K—H3K | 119.5 |
O3—K3—Si1 | 156.76 (7) | C2K—C3K—H3K | 119.5 |
O5—K3—Si1 | 87.11 (7) | C5K—C4K—C3K | 118.7 (5) |
O1U—K3—Si1 | 66.85 (7) | C5K—C4K—H4K | 120.7 |
O1—K3—Si1 | 22.43 (5) | C3K—C4K—H4K | 120.7 |
O1W—K3—Si1 | 95.20 (6) | C4K—C5K—C6K | 120.7 (6) |
C6C—K3—Si1 | 46.63 (8) | C4K—C5K—H5K | 119.7 |
C6G—K3—Si1 | 113.08 (9) | C6K—C5K—H5K | 119.7 |
Si3—K3—Si1 | 154.43 (4) | C5K—C6K—C1K | 122.3 (6) |
Si5—K3—Si1 | 101.17 (4) | C5K—C6K—H6K | 118.8 |
K6—K3—Si1 | 110.21 (3) | C1K—C6K—H6K | 118.8 |
O3—K3—K1 | 124.21 (7) | C6L—C1L—C2L | 115.8 (5) |
O5—K3—K1 | 39.09 (6) | C6L—C1L—Si4 | 121.4 (4) |
O1U—K3—K1 | 90.32 (8) | C2L—C1L—Si4 | 122.7 (4) |
O1—K3—K1 | 44.12 (6) | C1L—C2L—C3L | 121.6 (7) |
O1W—K3—K1 | 52.42 (5) | C1L—C2L—H2L | 119.2 |
C6C—K3—K1 | 73.24 (8) | C3L—C2L—H2L | 119.2 |
C6G—K3—K1 | 165.61 (9) | C4L—C3L—C2L | 120.9 (7) |
Si3—K3—K1 | 146.12 (4) | C4L—C3L—H3L | 119.5 |
Si5—K3—K1 | 58.86 (3) | C2L—C3L—H3L | 119.5 |
K6—K3—K1 | 95.09 (3) | C5L—C4L—C3L | 119.0 (6) |
Si1—K3—K1 | 52.90 (3) | C5L—C4L—H4L | 120.5 |
O3—K3—H2W | 78.1 | C3L—C4L—H4L | 120.5 |
O5—K3—H2W | 40.7 | C4L—C5L—C6L | 120.6 (7) |
O1U—K3—H2W | 92.1 | C4L—C5L—H5L | 119.7 |
O1—K3—H2W | 77.9 | C6L—C5L—H5L | 119.7 |
O1W—K3—H2W | 13.8 | C1L—C6L—C5L | 122.0 (7) |
C6C—K3—H2W | 116.4 | C1L—C6L—H6L | 119.0 |
C6G—K3—H2W | 147.8 | C5L—C6L—H6L | 119.0 |
Si3—K3—H2W | 100.1 | Si5—O5—K1 | 131.25 (15) |
Si5—K3—H2W | 54.9 | Si5—O5—K3 | 123.40 (15) |
K6—K3—H2W | 61.5 | K1—O5—K3 | 101.18 (10) |
Si1—K3—H2W | 95.3 | O5—Si5—C1N | 112.35 (17) |
K1—K3—H2W | 46.1 | O5—Si5—C1M | 112.04 (16) |
O3—K3—H1U | 107.6 | C1N—Si5—C1M | 105.70 (18) |
O5—K3—H1U | 114.2 | O5—Si5—C1O | 110.40 (17) |
O1U—K3—H1U | 17.6 | C1N—Si5—C1O | 106.24 (18) |
O1—K3—H1U | 37.1 | C1M—Si5—C1O | 109.85 (19) |
O1W—K3—H1U | 79.7 | C1N—Si5—K3 | 139.14 (14) |
C6C—K3—H1U | 92.7 | C1M—Si5—K3 | 79.64 (12) |
C6G—K3—H1U | 96.7 | C1O—Si5—K3 | 109.76 (13) |
Si3—K3—H1U | 109.6 | C1N—Si5—K1 | 81.95 (13) |
Si5—K3—H1U | 134.9 | C1M—Si5—K1 | 126.68 (13) |
K6—K3—H1U | 64.6 | C1O—Si5—K1 | 118.43 (14) |
Si1—K3—H1U | 49.7 | K3—Si5—K1 | 64.33 (3) |
K1—K3—H1U | 76.5 | C2M—C1M—C6M | 116.2 (4) |
H2W—K3—H1U | 90.2 | C2M—C1M—Si5 | 121.5 (3) |
O4—K4—O6 | 88.80 (10) | C6M—C1M—Si5 | 122.2 (3) |
O4—K4—O2 | 83.71 (9) | C3M—C2M—C1M | 122.7 (4) |
O6—K4—O2 | 126.55 (9) | C3M—C2M—H2M | 118.6 |
O4—K4—O1W | 83.75 (9) | C1M—C2M—H2M | 118.6 |
O6—K4—O1W | 72.75 (8) | C4M—C3M—C2M | 119.2 (4) |
O2—K4—O1W | 53.86 (8) | C4M—C3M—H3M | 120.4 |
O4—K4—C2R | 142.42 (12) | C2M—C3M—H3M | 120.4 |
O6—K4—C2R | 69.79 (11) | C5M—C4M—C3M | 120.4 (4) |
O2—K4—C2R | 133.86 (11) | C5M—C4M—H4M | 119.8 |
O1W—K4—C2R | 116.47 (12) | C3M—C4M—H4M | 119.8 |
O4—K4—C2F | 102.49 (12) | C4M—C5M—C6M | 119.7 (4) |
O6—K4—C2F | 162.93 (11) | C4M—C5M—H5M | 120.2 |
O2—K4—C2F | 68.15 (10) | C6M—C5M—H5M | 120.2 |
O1W—K4—C2F | 120.72 (10) | C5M—C6M—C1M | 121.8 (4) |
C2R—K4—C2F | 93.79 (13) | C5M—C6M—H6M | 119.1 |
O4—K4—C1R | 118.40 (11) | C1M—C6M—H6M | 119.1 |
O6—K4—C1R | 55.20 (10) | C6N—C1N—C2N | 116.3 (4) |
O2—K4—C1R | 157.51 (10) | C6N—C1N—Si5 | 121.2 (3) |
O1W—K4—C1R | 120.54 (10) | C2N—C1N—Si5 | 122.4 (3) |
C2R—K4—C1R | 24.30 (12) | C3N—C2N—C1N | 121.5 (4) |
C2F—K4—C1R | 107.80 (12) | C3N—C2N—H2N | 119.3 |
O4—K4—K6 | 48.66 (7) | C1N—C2N—H2N | 119.3 |
O6—K4—K6 | 48.28 (7) | C4N—C3N—C2N | 120.7 (4) |
O2—K4—K6 | 91.24 (6) | C4N—C3N—H3N | 119.6 |
O1W—K4—K6 | 51.86 (6) | C2N—C3N—H3N | 119.6 |
C2R—K4—K6 | 118.05 (10) | C3N—C4N—C5N | 119.2 (4) |
C2F—K4—K6 | 147.62 (9) | C3N—C4N—H4N | 120.4 |
C1R—K4—K6 | 100.47 (9) | C5N—C4N—H4N | 120.4 |
O4—K4—Si6 | 100.27 (8) | C6N—C5N—C4N | 119.8 (5) |
O6—K4—Si6 | 23.96 (6) | C6N—C5N—H5N | 120.1 |
O2—K4—Si6 | 148.22 (7) | C4N—C5N—H5N | 120.1 |
O1W—K4—Si6 | 94.95 (6) | C5N—C6N—C1N | 122.4 (4) |
C2R—K4—Si6 | 49.63 (9) | C5N—C6N—H6N | 118.8 |
C2F—K4—Si6 | 139.23 (9) | C1N—C6N—H6N | 118.8 |
C1R—K4—Si6 | 31.54 (8) | C2O—C1O—C6O | 117.1 (4) |
K6—K4—Si6 | 69.62 (4) | C2O—C1O—Si5 | 118.6 (3) |
O4—K4—Si4 | 20.47 (6) | C6O—C1O—Si5 | 124.2 (3) |
O6—K4—Si4 | 100.28 (7) | C2O—C1O—K5 | 79.3 (2) |
O2—K4—Si4 | 90.45 (6) | C6O—C1O—K5 | 80.2 (2) |
O1W—K4—Si4 | 103.30 (7) | Si5—C1O—K5 | 107.22 (16) |
C2R—K4—Si4 | 132.27 (10) | C1O—C2O—C3O | 122.9 (5) |
C2F—K4—Si4 | 87.21 (9) | C1O—C2O—K5 | 75.8 (2) |
C1R—K4—Si4 | 111.72 (8) | C3O—C2O—K5 | 84.4 (3) |
K6—K4—Si4 | 67.53 (3) | C1O—C2O—H1O | 118.6 |
Si6—K4—Si4 | 104.27 (4) | C3O—C2O—H1O | 118.6 |
O4—K4—Si2 | 97.81 (8) | K5—C2O—H1O | 111.0 |
O6—K4—Si2 | 144.68 (7) | C2O—C3O—C4O | 119.1 (5) |
O2—K4—Si2 | 22.97 (6) | C2O—C3O—K5 | 71.4 (3) |
O1W—K4—Si2 | 73.56 (6) | C4O—C3O—K5 | 80.5 (3) |
C2R—K4—Si2 | 117.68 (10) | C2O—C3O—H3O | 120.5 |
C2F—K4—Si2 | 47.16 (8) | C4O—C3O—H3O | 120.5 |
C1R—K4—Si2 | 141.40 (8) | K5—C3O—H3O | 118.6 |
K6—K4—Si2 | 114.15 (4) | C5O—C4O—C3O | 119.7 (5) |
Si6—K4—Si2 | 157.36 (4) | C5O—C4O—K5 | 75.6 (3) |
Si4—K4—Si2 | 97.43 (4) | C3O—C4O—K5 | 76.0 (3) |
O4—K4—K2 | 42.97 (7) | C5O—C4O—H4O | 120.2 |
O6—K4—K2 | 107.88 (7) | C3O—C4O—H4O | 120.2 |
O2—K4—K2 | 41.43 (6) | K5—C4O—H4O | 119.3 |
O1W—K4—K2 | 56.29 (6) | C4O—C5O—C6O | 120.6 (5) |
C2R—K4—K2 | 172.46 (11) | C4O—C5O—K5 | 81.0 (3) |
C2F—K4—K2 | 89.00 (9) | C6O—C5O—K5 | 73.0 (3) |
C1R—K4—K2 | 158.75 (8) | C4O—C5O—H5O | 119.7 |
K6—K4—K2 | 60.21 (3) | C6O—C5O—H5O | 119.7 |
Si6—K4—K2 | 129.75 (4) | K5—C5O—H5O | 117.0 |
Si4—K4—K2 | 54.82 (3) | C5O—C6O—C1O | 120.7 (5) |
Si2—K4—K2 | 59.83 (3) | C5O—C6O—K5 | 82.8 (3) |
O4—K4—H1W | 88.4 | C1O—C6O—K5 | 74.4 (2) |
O6—K4—H1W | 88.0 | C5O—C6O—H6O | 119.7 |
O2—K4—H1W | 39.1 | C1O—C6O—H6O | 119.7 |
O1W—K4—H1W | 16.0 | K5—C6O—H6O | 113.5 |
C2R—K4—H1W | 120.0 | Si6—O6—K5 | 116.16 (15) |
C2F—K4—H1W | 104.8 | Si6—O6—K6 | 146.05 (17) |
C1R—K4—H1W | 130.8 | K5—O6—K6 | 83.62 (9) |
K6—K4—H1W | 65.6 | Si6—O6—K4 | 112.91 (15) |
Si6—K4—H1W | 109.2 | K5—O6—K4 | 108.10 (10) |
Si4—K4—H1W | 105.6 | K6—O6—K4 | 83.37 (9) |
Si2—K4—H1W | 57.7 | O6—Si6—C1Q | 112.90 (18) |
K2—K4—H1W | 52.4 | O6—Si6—C1P | 111.49 (18) |
O6—K5—O3 | 96.22 (10) | C1Q—Si6—C1P | 107.6 (2) |
O6—K5—O1W | 75.05 (9) | O6—Si6—C1R | 109.93 (19) |
O3—K5—O1W | 77.20 (9) | C1Q—Si6—C1R | 107.1 (2) |
O6—K5—C1O | 143.65 (11) | C1P—Si6—C1R | 107.6 (2) |
O3—K5—C1O | 106.78 (11) | C1Q—Si6—K5 | 130.46 (15) |
O1W—K5—C1O | 82.93 (10) | C1P—Si6—K5 | 71.18 (13) |
O6—K5—C2O | 119.93 (11) | C1R—Si6—K5 | 120.70 (15) |
O3—K5—C2O | 127.46 (10) | C1Q—Si6—K4 | 118.67 (16) |
O1W—K5—C2O | 77.21 (11) | C1P—Si6—K4 | 132.99 (14) |
C1O—K5—C2O | 24.94 (11) | C1R—Si6—K4 | 67.59 (15) |
O6—K5—C6O | 158.27 (11) | K5—Si6—K4 | 72.75 (3) |
O3—K5—C6O | 105.42 (11) | C2P—C1P—C6P | 117.0 (5) |
O1W—K5—C6O | 107.47 (10) | C2P—C1P—Si6 | 124.2 (4) |
C1O—K5—C6O | 25.41 (11) | C6P—C1P—Si6 | 118.7 (4) |
C2O—K5—C6O | 43.27 (12) | C2P—C1P—K5 | 119.7 (3) |
O6—K5—C6P | 69.63 (12) | C6P—C1P—K5 | 71.3 (3) |
O3—K5—C6P | 106.67 (13) | Si6—C1P—K5 | 77.63 (14) |
O1W—K5—C6P | 144.67 (11) | C3P—C2P—C1P | 122.0 (6) |
C1O—K5—C6P | 126.72 (14) | C3P—C2P—H2P | 119.0 |
C2O—K5—C6P | 120.50 (14) | C1P—C2P—H2P | 119.0 |
C6O—K5—C6P | 105.19 (13) | C4P—C3P—C2P | 120.3 (6) |
O6—K5—C5O | 138.05 (11) | C4P—C3P—H3P | 119.8 |
O3—K5—C5O | 122.59 (12) | C2P—C3P—H3P | 119.8 |
O1W—K5—C5O | 125.08 (11) | C3P—C4P—C5P | 119.6 (6) |
C1O—K5—C5O | 43.64 (11) | C3P—C4P—H4P | 120.2 |
C2O—K5—C5O | 49.35 (12) | C5P—C4P—H4P | 120.2 |
C6O—K5—C5O | 24.19 (11) | C4P—C5P—C6P | 120.2 (6) |
C6P—K5—C5O | 83.31 (13) | C4P—C5P—H5P | 119.9 |
O6—K5—C3O | 109.15 (11) | C6P—C5P—H5P | 119.9 |
O3—K5—C3O | 150.20 (11) | C1P—C6P—C5P | 120.9 (6) |
O1W—K5—C3O | 94.10 (11) | C1P—C6P—K5 | 85.0 (3) |
C1O—K5—C3O | 43.47 (11) | C5P—C6P—K5 | 111.7 (4) |
C2O—K5—C3O | 24.19 (11) | C1P—C6P—H6P | 119.5 |
C6O—K5—C3O | 49.56 (13) | C5P—C6P—H6P | 119.5 |
C6P—K5—C3O | 96.89 (14) | K5—C6P—H6P | 73.3 |
C5O—K5—C3O | 41.65 (13) | C6Q—C1Q—C2Q | 117.0 (4) |
O6—K5—C4O | 116.92 (11) | C6Q—C1Q—Si6 | 122.7 (4) |
O3—K5—C4O | 145.89 (12) | C2Q—C1Q—Si6 | 120.2 (3) |
O1W—K5—C4O | 117.33 (12) | C3Q—C2Q—C1Q | 121.5 (5) |
C1O—K5—C4O | 50.28 (11) | C3Q—C2Q—H2Q | 119.2 |
C2O—K5—C4O | 42.13 (12) | C1Q—C2Q—H2Q | 119.2 |
C6O—K5—C4O | 42.16 (12) | C4Q—C3Q—C2Q | 120.2 (5) |
C6P—K5—C4O | 79.60 (14) | C4Q—C3Q—H3Q | 119.9 |
C5O—K5—C4O | 23.42 (13) | C2Q—C3Q—H3Q | 119.9 |
C3O—K5—C4O | 23.57 (13) | C3Q—C4Q—C5Q | 119.7 (5) |
O6—K5—C1P | 54.52 (10) | C3Q—C4Q—H4Q | 120.2 |
O3—K5—C1P | 122.84 (11) | C5Q—C4Q—H4Q | 120.2 |
O1W—K5—C1P | 125.69 (10) | C6Q—C5Q—C4Q | 119.7 (5) |
C1O—K5—C1P | 125.78 (11) | C6Q—C5Q—H5Q | 120.2 |
C2O—K5—C1P | 109.40 (11) | C4Q—C5Q—H5Q | 120.2 |
C6O—K5—C1P | 112.58 (11) | C5Q—C6Q—C1Q | 121.8 (5) |
C6P—K5—C1P | 23.70 (12) | C5Q—C6Q—H6Q | 119.1 |
C5O—K5—C1P | 88.40 (11) | C1Q—C6Q—H6Q | 119.1 |
C3O—K5—C1P | 85.51 (12) | C2R—C1R—C6R | 116.1 (5) |
C4O—K5—C1P | 75.65 (12) | C2R—C1R—Si6 | 120.6 (4) |
O6—K5—K6 | 49.08 (7) | C6R—C1R—Si6 | 123.1 (4) |
O3—K5—K6 | 51.15 (7) | C2R—C1R—K4 | 71.1 (3) |
O1W—K5—K6 | 52.76 (6) | C6R—C1R—K4 | 114.6 (4) |
C1O—K5—K6 | 131.76 (8) | Si6—C1R—K4 | 80.87 (15) |
C2O—K5—K6 | 129.81 (9) | C1R—C2R—C3R | 121.7 (5) |
C6O—K5—K6 | 149.07 (9) | C1R—C2R—K4 | 84.6 (3) |
C6P—K5—K6 | 101.51 (11) | C3R—C2R—K4 | 108.3 (4) |
C5O—K5—K6 | 172.86 (9) | C1R—C2R—H2R | 119.1 |
C3O—K5—K6 | 141.37 (10) | C3R—C2R—H2R | 119.1 |
C4O—K5—K6 | 162.23 (10) | K4—C2R—H2R | 76.9 |
C1P—K5—K6 | 98.13 (8) | C4R—C3R—C2R | 119.7 (6) |
O6—K5—H2W | 91.7 | C4R—C3R—H3R | 120.2 |
O3—K5—H2W | 73.6 | C2R—C3R—H3R | 120.2 |
O1W—K5—H2W | 16.7 | C3R—C4R—C5R | 120.3 (6) |
C1O—K5—H2W | 69.1 | C3R—C4R—H4R | 119.8 |
C2O—K5—H2W | 68.9 | C5R—C4R—H4R | 119.8 |
C6O—K5—H2W | 92.4 | C4R—C5R—C6R | 119.9 (6) |
C6P—K5—H2W | 161.3 | C4R—C5R—H5R | 120.1 |
C5O—K5—H2W | 112.7 | C6R—C5R—H5R | 120.1 |
C3O—K5—H2W | 89.8 | C5R—C6R—C1R | 122.2 (6) |
C4O—K5—H2W | 111.0 | C5R—C6R—H6R | 118.9 |
C1P—K5—H2W | 141.4 | C1R—C6R—H6R | 118.9 |
K6—K5—H2W | 63.6 | C2S—C1S—C6S | 120.0 |
O6—K6—O4 | 87.27 (9) | C2S—C1S—C7S | 122.9 (8) |
O6—K6—O3 | 91.07 (9) | C6S—C1S—C7S | 117.1 (8) |
O4—K6—O3 | 158.39 (9) | C1S—C2S—C3S | 120.0 |
O6—K6—O1W | 74.02 (9) | C1S—C2S—H2S | 120.0 |
O4—K6—O1W | 83.88 (9) | C3S—C2S—H2S | 120.0 |
O3—K6—O1W | 74.98 (9) | C4S—C3S—C2S | 120.0 |
O6—K6—O1U | 154.09 (10) | C4S—C3S—H3S | 120.0 |
O4—K6—O1U | 87.91 (9) | C2S—C3S—H3S | 120.0 |
O3—K6—O1U | 84.21 (9) | C5S—C4S—C3S | 120.0 |
O1W—K6—O1U | 80.15 (9) | C5S—C4S—H4S | 120.0 |
O6—K6—C6I | 93.38 (14) | C3S—C4S—H4S | 120.0 |
O4—K6—C6I | 133.70 (13) | C4S—C5S—C6S | 120.0 |
O3—K6—C6I | 67.90 (12) | C4S—C5S—H5S | 120.0 |
O1W—K6—C6I | 140.54 (13) | C6S—C5S—H5S | 120.0 |
O1U—K6—C6I | 108.19 (13) | C5S—C6S—C1S | 120.0 |
O6—K6—K5 | 47.30 (7) | C5S—C6S—H6S | 120.0 |
O4—K6—K5 | 120.97 (7) | C1S—C6S—H6S | 120.0 |
O3—K6—K5 | 47.42 (6) | C1S—C7S—H7SA | 109.5 |
O1W—K6—K5 | 52.82 (6) | C1S—C7S—H7SB | 109.5 |
O1U—K6—K5 | 116.28 (7) | H7SA—C7S—H7SB | 109.5 |
C6I—K6—K5 | 90.97 (12) | C1S—C7S—H7SC | 109.5 |
O6—K6—K4 | 48.36 (7) | H7SA—C7S—H7SC | 109.5 |
O4—K6—K4 | 46.82 (7) | H7SB—C7S—H7SC | 109.5 |
O3—K6—K4 | 119.13 (7) | C2X—C1X—C6X | 120.0 |
O1W—K6—K4 | 53.77 (6) | C2X—C1X—C7X | 118.8 (12) |
O1U—K6—K4 | 112.95 (7) | C6X—C1X—C7X | 121.2 (12) |
C6I—K6—K4 | 138.70 (12) | C3X—C2X—C1X | 120.0 |
K5—K6—K4 | 74.30 (3) | C3X—C2X—H2X | 120.0 |
O6—K6—K2 | 112.66 (7) | C1X—C2X—H2X | 120.0 |
O4—K6—K2 | 45.67 (7) | C2X—C3X—C4X | 120.0 |
O3—K6—K2 | 116.58 (7) | C2X—C3X—H3X | 120.0 |
O1W—K6—K2 | 58.94 (6) | C4X—C3X—H3X | 120.0 |
O1U—K6—K2 | 49.25 (7) | C5X—C4X—C3X | 120.0 |
C6I—K6—K2 | 152.96 (13) | C5X—C4X—H4X | 120.0 |
K5—K6—K2 | 111.73 (4) | C3X—C4X—H4X | 120.0 |
K4—K6—K2 | 64.96 (3) | C6X—C5X—C4X | 120.0 |
O6—K6—K3 | 115.12 (7) | C6X—C5X—H5X | 120.0 |
O4—K6—K3 | 118.47 (7) | C4X—C5X—H5X | 120.0 |
O3—K6—K3 | 43.94 (6) | C5X—C6X—C1X | 120.0 |
O1W—K6—K3 | 53.98 (6) | C5X—C6X—H6X | 120.0 |
O1U—K6—K3 | 47.04 (6) | C1X—C6X—H6X | 120.0 |
C6I—K6—K3 | 103.00 (10) | C1X—C7X—H7XA | 109.5 |
K5—K6—K3 | 69.79 (3) | C1X—C7X—H7XB | 109.5 |
K4—K6—K3 | 107.30 (4) | H7XA—C7X—H7XB | 109.5 |
K2—K6—K3 | 73.23 (3) | C1X—C7X—H7XC | 109.5 |
O6—K6—Si3 | 98.00 (7) | H7XA—C7X—H7XC | 109.5 |
O4—K6—Si3 | 174.60 (7) | H7XB—C7X—H7XC | 109.5 |
O3—K6—Si3 | 21.46 (6) | C2T—C1T—C6T | 120.0 |
O1W—K6—Si3 | 96.41 (7) | C2T—C1T—C7T | 120.8 (10) |
O1U—K6—Si3 | 86.83 (7) | C6T—C1T—C7T | 119.2 (10) |
C6I—K6—Si3 | 47.51 (10) | C3T—C2T—C1T | 120.0 |
K5—K6—Si3 | 62.77 (3) | C3T—C2T—H2T | 120.0 |
K4—K6—Si3 | 137.06 (4) | C1T—C2T—H2T | 120.0 |
K2—K6—Si3 | 130.19 (4) | C2T—C3T—C4T | 120.0 |
K3—K6—Si3 | 58.16 (3) | C2T—C3T—H3T | 120.0 |
Si1—O1—K2 | 143.67 (15) | C4T—C3T—H3T | 120.0 |
Si1—O1—K1 | 102.96 (13) | C5T—C4T—C3T | 120.0 |
K2—O1—K1 | 89.27 (8) | C5T—C4T—H4T | 120.0 |
Si1—O1—K3 | 111.76 (13) | C3T—C4T—H4T | 120.0 |
K2—O1—K3 | 102.65 (9) | C4T—C5T—C6T | 120.0 |
K1—O1—K3 | 87.86 (8) | C4T—C5T—H5T | 120.0 |
O1—Si1—C1C | 112.06 (16) | C6T—C5T—H5T | 120.0 |
O1—Si1—C1B | 111.80 (16) | C5T—C6T—C1T | 120.0 |
C1C—Si1—C1B | 108.60 (17) | C5T—C6T—H6T | 120.0 |
O1—Si1—C1A | 110.26 (16) | C1T—C6T—H6T | 120.0 |
C1C—Si1—C1A | 105.92 (17) | C1T—C7T—H7T1 | 109.5 |
C1B—Si1—C1A | 107.94 (17) | C1T—C7T—H7T2 | 109.5 |
C1C—Si1—K1 | 109.67 (12) | H7T1—C7T—H7T2 | 109.5 |
C1B—Si1—K1 | 141.71 (13) | C1T—C7T—H7T3 | 109.5 |
C1A—Si1—K1 | 62.19 (11) | H7T1—C7T—H7T3 | 109.5 |
C1C—Si1—K3 | 66.42 (12) | H7T2—C7T—H7T3 | 109.5 |
C1B—Si1—K3 | 131.44 (13) | C2Y—C1Y—C6Y | 120.0 |
C1A—Si1—K3 | 120.04 (12) | C2Y—C1Y—C7Y | 106 (4) |
K1—Si1—K3 | 65.69 (3) | C6Y—C1Y—C7Y | 134 (4) |
C2A—C1A—C6A | 116.2 (4) | C3Y—C2Y—C1Y | 120.0 |
C2A—C1A—Si1 | 119.6 (3) | C3Y—C2Y—H2Y | 120.0 |
C6A—C1A—Si1 | 123.9 (3) | C1Y—C2Y—H2Y | 120.0 |
C2A—C1A—K1 | 85.7 (2) | C4Y—C3Y—C2Y | 120.0 |
C6A—C1A—K1 | 94.0 (2) | C4Y—C3Y—H3Y | 120.0 |
Si1—C1A—K1 | 85.45 (13) | C2Y—C3Y—H3Y | 120.0 |
C3A—C2A—C1A | 122.9 (4) | C3Y—C4Y—C5Y | 120.0 |
C3A—C2A—K1 | 101.8 (3) | C3Y—C4Y—H4Y | 120.0 |
C1A—C2A—K1 | 69.7 (2) | C5Y—C4Y—H4Y | 120.0 |
C3A—C2A—H2A | 118.5 | C6Y—C5Y—C4Y | 120.0 |
C1A—C2A—H2A | 118.5 | C6Y—C5Y—H5Y | 120.0 |
K1—C2A—H2A | 98.6 | C4Y—C5Y—H5Y | 120.0 |
C2A—C3A—C4A | 119.8 (4) | C5Y—C6Y—C1Y | 120.0 |
C2A—C3A—H3A | 120.1 | C5Y—C6Y—H6Y | 120.0 |
C4A—C3A—H3A | 120.1 | C1Y—C6Y—H6Y | 120.0 |
C5A—C4A—C3A | 119.0 (4) | C1Y—C7Y—H7Y1 | 109.5 |
C5A—C4A—H4A | 120.5 | C1Y—C7Y—H7Y2 | 109.5 |
C3A—C4A—H4A | 120.5 | H7Y1—C7Y—H7Y2 | 109.5 |
C4A—C5A—C6A | 120.5 (4) | C1Y—C7Y—H7Y3 | 109.5 |
C4A—C5A—H5A | 119.7 | H7Y1—C7Y—H7Y3 | 109.5 |
C6A—C5A—H5A | 119.7 | H7Y2—C7Y—H7Y3 | 109.5 |
C1A—C6A—C5A | 121.5 (4) | C1U—O1U—K3 | 134.3 (3) |
C1A—C6A—K1 | 62.6 (2) | C1U—O1U—K2 | 117.8 (3) |
C5A—C6A—K1 | 101.4 (3) | K3—O1U—K2 | 104.29 (11) |
C1A—C6A—H6A | 119.2 | C1U—O1U—K6 | 121.5 (3) |
C5A—C6A—H6A | 119.2 | K3—O1U—K6 | 81.43 (9) |
K1—C6A—H6A | 105.5 | K2—O1U—K6 | 79.52 (8) |
C2B—C1B—C6B | 116.9 (4) | C1U—O1U—H1U | 106.6 |
C2B—C1B—Si1 | 120.7 (3) | K3—O1U—H1U | 76.1 |
C6B—C1B—Si1 | 122.3 (3) | K2—O1U—H1U | 63.2 |
C1B—C2B—C3B | 122.5 (4) | K6—O1U—H1U | 129.1 |
C1B—C2B—H2B | 118.8 | O1U—C1U—C2U | 113.1 (4) |
C3B—C2B—H2B | 118.8 | O1U—C1U—C3U | 107.6 (4) |
C4B—C3B—C2B | 119.0 (4) | C2U—C1U—C3U | 111.1 (5) |
C4B—C3B—H3B | 120.5 | O1U—C1U—H1UC | 108.3 |
C2B—C3B—H3B | 120.5 | C2U—C1U—H1UC | 108.3 |
C5B—C4B—C3B | 120.1 (4) | C3U—C1U—H1UC | 108.3 |
C5B—C4B—H4B | 119.9 | C1U—C2U—H2UA | 109.5 |
C3B—C4B—H4B | 119.9 | C1U—C2U—H2UB | 109.5 |
C4B—C5B—C6B | 120.4 (4) | H2UA—C2U—H2UB | 109.5 |
C4B—C5B—H5B | 119.8 | C1U—C2U—H2UC | 109.5 |
C6B—C5B—H5B | 119.8 | H2UA—C2U—H2UC | 109.5 |
C5B—C6B—C1B | 121.1 (4) | H2UB—C2U—H2UC | 109.5 |
C5B—C6B—H6B | 119.5 | C1U—C3U—H3UA | 109.5 |
C1B—C6B—H6B | 119.5 | C1U—C3U—H3UB | 109.5 |
C2C—C1C—C6C | 116.6 (4) | H3UA—C3U—H3UB | 109.5 |
C2C—C1C—Si1 | 123.2 (3) | C1U—C3U—H3UC | 109.5 |
C6C—C1C—Si1 | 120.1 (3) | H3UA—C3U—H3UC | 109.5 |
C3C—C2C—C1C | 121.1 (4) | H3UB—C3U—H3UC | 109.5 |
| | | |
K2—O1—Si1—C1C | 155.1 (2) | O4—Si4—C1J—C6J | −93.3 (4) |
K1—O1—Si1—C1C | −97.96 (16) | C1K—Si4—C1J—C6J | 140.9 (4) |
K3—O1—Si1—C1C | −5.06 (19) | C1L—Si4—C1J—C6J | 29.1 (4) |
K2—O1—Si1—C1B | 32.9 (3) | K2—Si4—C1J—C6J | −96.8 (4) |
K1—O1—Si1—C1B | 139.84 (14) | K4—Si4—C1J—C6J | −129.8 (3) |
K3—O1—Si1—C1B | −127.25 (15) | O4—Si4—C1J—C2J | 75.7 (4) |
K2—O1—Si1—C1A | −87.2 (3) | C1K—Si4—C1J—C2J | −50.2 (4) |
K1—O1—Si1—C1A | 19.76 (17) | C1L—Si4—C1J—C2J | −162.0 (3) |
K3—O1—Si1—C1A | 112.67 (16) | K2—Si4—C1J—C2J | 72.1 (3) |
K2—O1—Si1—K1 | −106.9 (3) | K4—Si4—C1J—C2J | 39.1 (4) |
K3—O1—Si1—K1 | 92.91 (13) | O4—Si4—C1J—K2 | 3.53 (18) |
K2—O1—Si1—K3 | 160.2 (3) | C1K—Si4—C1J—K2 | −122.31 (15) |
K1—O1—Si1—K3 | −92.91 (13) | C1L—Si4—C1J—K2 | 125.86 (17) |
O1—Si1—C1A—C2A | 65.2 (3) | K4—Si4—C1J—K2 | −33.03 (15) |
C1C—Si1—C1A—C2A | −173.4 (3) | C6J—C1J—C2J—C3J | 1.5 (6) |
C1B—Si1—C1A—C2A | −57.2 (4) | Si4—C1J—C2J—C3J | −168.1 (4) |
K1—Si1—C1A—C2A | 82.4 (3) | K2—C1J—C2J—C3J | −92.1 (4) |
K3—Si1—C1A—C2A | 115.0 (3) | C6J—C1J—C2J—K2 | 93.5 (4) |
O1—Si1—C1A—C6A | −109.0 (3) | Si4—C1J—C2J—K2 | −76.0 (3) |
C1C—Si1—C1A—C6A | 12.4 (4) | C1J—C2J—C3J—C4J | −0.4 (7) |
C1B—Si1—C1A—C6A | 128.6 (3) | K2—C2J—C3J—C4J | −80.1 (5) |
K1—Si1—C1A—C6A | −91.8 (3) | C2J—C3J—C4J—C5J | −0.9 (8) |
K3—Si1—C1A—C6A | −59.2 (4) | C3J—C4J—C5J—C6J | 1.2 (8) |
O1—Si1—C1A—K1 | −17.25 (15) | C2J—C1J—C6J—C5J | −1.2 (6) |
C1C—Si1—C1A—K1 | 104.20 (14) | Si4—C1J—C6J—C5J | 168.2 (4) |
C1B—Si1—C1A—K1 | −139.63 (14) | K2—C1J—C6J—C5J | 79.1 (5) |
K3—Si1—C1A—K1 | 32.59 (12) | C4J—C5J—C6J—C1J | −0.1 (7) |
C6A—C1A—C2A—C3A | 1.2 (6) | O4—Si4—C1K—C2K | 48.4 (4) |
Si1—C1A—C2A—C3A | −173.4 (3) | C1L—Si4—C1K—C2K | −74.4 (4) |
K1—C1A—C2A—C3A | −91.1 (4) | C1J—Si4—C1K—C2K | 170.4 (3) |
C6A—C1A—C2A—K1 | 92.3 (3) | K2—Si4—C1K—C2K | 101.6 (4) |
Si1—C1A—C2A—K1 | −82.3 (2) | K4—Si4—C1K—C2K | 51.6 (3) |
C1A—C2A—C3A—C4A | −1.0 (7) | O4—Si4—C1K—C6K | −139.1 (4) |
K1—C2A—C3A—C4A | −74.3 (4) | C1L—Si4—C1K—C6K | 98.1 (4) |
C2A—C3A—C4A—C5A | 0.0 (7) | C1J—Si4—C1K—C6K | −17.1 (5) |
C3A—C4A—C5A—C6A | 0.8 (7) | K2—Si4—C1K—C6K | −85.9 (4) |
C2A—C1A—C6A—C5A | −0.4 (6) | K4—Si4—C1K—C6K | −136.0 (4) |
Si1—C1A—C6A—C5A | 174.0 (3) | C6K—C1K—C2K—C3K | −0.5 (7) |
K1—C1A—C6A—C5A | 86.8 (4) | Si4—C1K—C2K—C3K | 172.6 (4) |
C2A—C1A—C6A—K1 | −87.2 (3) | C1K—C2K—C3K—C4K | −0.6 (8) |
Si1—C1A—C6A—K1 | 87.2 (3) | C2K—C3K—C4K—C5K | 1.4 (9) |
C4A—C5A—C6A—C1A | −0.6 (7) | C3K—C4K—C5K—C6K | −1.0 (9) |
C4A—C5A—C6A—K1 | 64.1 (4) | C4K—C5K—C6K—C1K | −0.1 (9) |
O1—Si1—C1B—C2B | 1.0 (4) | C2K—C1K—C6K—C5K | 0.9 (7) |
C1C—Si1—C1B—C2B | −123.2 (3) | Si4—C1K—C6K—C5K | −171.8 (4) |
C1A—Si1—C1B—C2B | 122.4 (3) | O4—Si4—C1L—C6L | 25.5 (5) |
K1—Si1—C1B—C2B | 54.8 (4) | C1K—Si4—C1L—C6L | 150.7 (5) |
K3—Si1—C1B—C2B | −48.6 (4) | C1J—Si4—C1L—C6L | −95.1 (5) |
O1—Si1—C1B—C6B | 177.6 (3) | K2—Si4—C1L—C6L | −25.1 (5) |
C1C—Si1—C1B—C6B | 53.4 (4) | K4—Si4—C1L—C6L | 61.9 (5) |
C1A—Si1—C1B—C6B | −61.0 (4) | O4—Si4—C1L—C2L | −150.2 (4) |
K1—Si1—C1B—C6B | −128.6 (3) | C1K—Si4—C1L—C2L | −25.0 (5) |
K3—Si1—C1B—C6B | 128.0 (3) | C1J—Si4—C1L—C2L | 89.2 (5) |
C6B—C1B—C2B—C3B | −2.1 (6) | K2—Si4—C1L—C2L | 159.2 (4) |
Si1—C1B—C2B—C3B | 174.7 (3) | K4—Si4—C1L—C2L | −113.8 (4) |
C1B—C2B—C3B—C4B | −0.1 (7) | C6L—C1L—C2L—C3L | −0.2 (9) |
C2B—C3B—C4B—C5B | 2.6 (7) | Si4—C1L—C2L—C3L | 175.7 (5) |
C3B—C4B—C5B—C6B | −2.9 (7) | C1L—C2L—C3L—C4L | 2.7 (11) |
C4B—C5B—C6B—C1B | 0.7 (6) | C2L—C3L—C4L—C5L | −3.8 (12) |
C2B—C1B—C6B—C5B | 1.7 (6) | C3L—C4L—C5L—C6L | 2.6 (12) |
Si1—C1B—C6B—C5B | −175.0 (3) | C2L—C1L—C6L—C5L | −1.0 (9) |
O1—Si1—C1C—C2C | −124.8 (4) | Si4—C1L—C6L—C5L | −177.0 (5) |
C1B—Si1—C1C—C2C | −0.8 (4) | C4L—C5L—C6L—C1L | −0.1 (12) |
C1A—Si1—C1C—C2C | 114.9 (4) | K1—O5—Si5—C1N | 6.7 (3) |
K1—Si1—C1C—C2C | −179.5 (3) | K3—O5—Si5—C1N | −145.79 (17) |
K3—Si1—C1C—C2C | −128.8 (4) | K1—O5—Si5—C1M | 125.6 (2) |
O1—Si1—C1C—C6C | 54.4 (3) | K3—O5—Si5—C1M | −27.0 (2) |
C1B—Si1—C1C—C6C | 178.4 (3) | K1—O5—Si5—C1O | −111.7 (2) |
C1A—Si1—C1C—C6C | −65.9 (3) | K3—O5—Si5—C1O | 95.8 (2) |
K1—Si1—C1C—C6C | −0.3 (3) | K1—O5—Si5—K3 | 152.5 (3) |
K3—Si1—C1C—C6C | 50.5 (3) | K3—O5—Si5—K1 | −152.5 (3) |
C6C—C1C—C2C—C3C | 2.0 (7) | O5—Si5—C1M—C2M | −117.1 (3) |
Si1—C1C—C2C—C3C | −178.7 (4) | C1N—Si5—C1M—C2M | 5.5 (4) |
C1C—C2C—C3C—C4C | −1.1 (9) | C1O—Si5—C1M—C2M | 119.8 (3) |
C2C—C3C—C4C—C5C | −1.6 (9) | K3—Si5—C1M—C2M | −132.8 (3) |
C3C—C4C—C5C—C6C | 3.1 (8) | K1—Si5—C1M—C2M | −86.1 (3) |
C4C—C5C—C6C—C1C | −2.2 (7) | O5—Si5—C1M—C6M | 60.6 (4) |
C4C—C5C—C6C—K3 | −113.7 (4) | C1N—Si5—C1M—C6M | −176.7 (3) |
C2C—C1C—C6C—C5C | −0.4 (6) | C1O—Si5—C1M—C6M | −62.5 (4) |
Si1—C1C—C6C—C5C | −179.7 (3) | K3—Si5—C1M—C6M | 44.9 (3) |
C2C—C1C—C6C—K3 | 116.7 (4) | K1—Si5—C1M—C6M | 91.6 (4) |
Si1—C1C—C6C—K3 | −62.5 (3) | C6M—C1M—C2M—C3M | 0.6 (6) |
K2—O2—Si2—C1F | −109.7 (2) | Si5—C1M—C2M—C3M | 178.4 (3) |
K1—O2—Si2—C1F | 150.57 (15) | C1M—C2M—C3M—C4M | 0.4 (7) |
K4—O2—Si2—C1F | 2.8 (2) | C2M—C3M—C4M—C5M | −0.6 (7) |
K2—O2—Si2—C1E | 11.2 (3) | C3M—C4M—C5M—C6M | −0.1 (7) |
K1—O2—Si2—C1E | −88.52 (16) | C4M—C5M—C6M—C1M | 1.1 (7) |
K4—O2—Si2—C1E | 123.69 (16) | C2M—C1M—C6M—C5M | −1.3 (6) |
K2—O2—Si2—C1D | 128.5 (2) | Si5—C1M—C6M—C5M | −179.1 (4) |
K1—O2—Si2—C1D | 28.73 (18) | O5—Si5—C1N—C6N | 40.2 (4) |
K4—O2—Si2—C1D | −119.06 (17) | C1M—Si5—C1N—C6N | −82.3 (3) |
K2—O2—Si2—K1 | 99.7 (2) | C1O—Si5—C1N—C6N | 161.0 (3) |
K4—O2—Si2—K1 | −147.79 (17) | K3—Si5—C1N—C6N | 10.0 (4) |
K2—O2—Si2—K4 | −112.5 (2) | K1—Si5—C1N—C6N | 43.7 (3) |
K1—O2—Si2—K4 | 147.79 (17) | O5—Si5—C1N—C2N | −141.8 (3) |
K1—O2—Si2—K2 | −99.7 (2) | C1M—Si5—C1N—C2N | 95.7 (3) |
K4—O2—Si2—K2 | 112.5 (2) | C1O—Si5—C1N—C2N | −21.0 (4) |
O2—Si2—C1D—C6D | −115.7 (4) | K3—Si5—C1N—C2N | −172.0 (2) |
C1F—Si2—C1D—C6D | 119.3 (4) | K1—Si5—C1N—C2N | −138.3 (3) |
C1E—Si2—C1D—C6D | 6.0 (4) | C6N—C1N—C2N—C3N | −1.6 (6) |
K1—Si2—C1D—C6D | −89.7 (3) | Si5—C1N—C2N—C3N | −179.7 (3) |
K4—Si2—C1D—C6D | −164.1 (3) | C1N—C2N—C3N—C4N | 1.4 (7) |
K2—Si2—C1D—C6D | −86.9 (4) | C2N—C3N—C4N—C5N | −0.7 (7) |
O2—Si2—C1D—C2D | 57.4 (4) | C3N—C4N—C5N—C6N | 0.4 (6) |
C1F—Si2—C1D—C2D | −67.7 (4) | C4N—C5N—C6N—C1N | −0.6 (6) |
C1E—Si2—C1D—C2D | 179.1 (3) | C2N—C1N—C6N—C5N | 1.3 (6) |
K1—Si2—C1D—C2D | 83.4 (3) | Si5—C1N—C6N—C5N | 179.4 (3) |
K4—Si2—C1D—C2D | 9.0 (4) | O5—Si5—C1O—C2O | 56.8 (4) |
K2—Si2—C1D—C2D | 86.2 (3) | C1N—Si5—C1O—C2O | −65.3 (4) |
O2—Si2—C1D—K1 | −26.00 (17) | C1M—Si5—C1O—C2O | −179.2 (3) |
C1F—Si2—C1D—K1 | −151.06 (15) | K3—Si5—C1O—C2O | 95.0 (3) |
C1E—Si2—C1D—K1 | 95.68 (15) | K1—Si5—C1O—C2O | 24.3 (4) |
K4—Si2—C1D—K1 | −74.42 (13) | O5—Si5—C1O—C6O | −120.0 (4) |
K2—Si2—C1D—K1 | 2.82 (16) | C1N—Si5—C1O—C6O | 118.0 (4) |
C6D—C1D—C2D—C3D | −0.9 (6) | C1M—Si5—C1O—C6O | 4.1 (4) |
Si2—C1D—C2D—C3D | −174.5 (4) | K3—Si5—C1O—C6O | −81.7 (4) |
K1—C1D—C2D—C3D | −91.5 (4) | K1—Si5—C1O—C6O | −152.5 (3) |
C6D—C1D—C2D—K1 | 90.6 (3) | O5—Si5—C1O—K5 | −30.2 (2) |
Si2—C1D—C2D—K1 | −83.0 (2) | C1N—Si5—C1O—K5 | −152.28 (16) |
C1D—C2D—C3D—C4D | −0.2 (7) | C1M—Si5—C1O—K5 | 93.84 (19) |
K1—C2D—C3D—C4D | −72.8 (5) | K3—Si5—C1O—K5 | 8.05 (18) |
C2D—C3D—C4D—C5D | 1.4 (7) | K1—Si5—C1O—K5 | −62.75 (17) |
C3D—C4D—C5D—C6D | −1.4 (7) | C6O—C1O—C2O—C3O | −0.5 (6) |
C4D—C5D—C6D—C1D | 0.3 (7) | Si5—C1O—C2O—C3O | −177.5 (4) |
C4D—C5D—C6D—K1 | 67.0 (5) | K5—C1O—C2O—C3O | −73.6 (4) |
C2D—C1D—C6D—C5D | 0.8 (6) | C6O—C1O—C2O—K5 | 73.1 (3) |
Si2—C1D—C6D—C5D | 174.2 (4) | Si5—C1O—C2O—K5 | −103.9 (3) |
K1—C1D—C6D—C5D | 87.9 (4) | C1O—C2O—C3O—C4O | 1.9 (7) |
C2D—C1D—C6D—K1 | −87.1 (3) | K5—C2O—C3O—C4O | −67.2 (4) |
Si2—C1D—C6D—K1 | 86.3 (3) | C1O—C2O—C3O—K5 | 69.1 (4) |
O2—Si2—C1E—C6E | −145.6 (4) | C2O—C3O—C4O—C5O | −1.7 (7) |
C1F—Si2—C1E—C6E | −20.1 (4) | K5—C3O—C4O—C5O | −64.1 (4) |
C1D—Si2—C1E—C6E | 95.0 (4) | C2O—C3O—C4O—K5 | 62.4 (4) |
K1—Si2—C1E—C6E | 159.0 (4) | C3O—C4O—C5O—C6O | 0.2 (7) |
K4—Si2—C1E—C6E | −95.6 (4) | K5—C4O—C5O—C6O | −64.0 (4) |
K2—Si2—C1E—C6E | −139.9 (4) | C3O—C4O—C5O—K5 | 64.3 (5) |
O2—Si2—C1E—C2E | 37.9 (4) | C4O—C5O—C6O—C1O | 1.2 (7) |
C1F—Si2—C1E—C2E | 163.3 (4) | K5—C5O—C6O—C1O | −67.0 (4) |
C1D—Si2—C1E—C2E | −81.5 (4) | C4O—C5O—C6O—K5 | 68.2 (4) |
K1—Si2—C1E—C2E | −17.5 (4) | C2O—C1O—C6O—C5O | −1.1 (6) |
K4—Si2—C1E—C2E | 87.8 (4) | Si5—C1O—C6O—C5O | 175.7 (3) |
K2—Si2—C1E—C2E | 43.5 (3) | K5—C1O—C6O—C5O | 71.5 (4) |
C6E—C1E—C2E—C3E | −3.0 (7) | C2O—C1O—C6O—K5 | −72.6 (3) |
Si2—C1E—C2E—C3E | 173.7 (4) | Si5—C1O—C6O—K5 | 104.3 (3) |
C1E—C2E—C3E—C4E | 0.7 (7) | K5—O6—Si6—C1Q | 126.2 (2) |
C2E—C3E—C4E—C5E | 1.9 (7) | K6—O6—Si6—C1Q | 5.7 (4) |
C3E—C4E—C5E—C6E | −2.1 (9) | K4—O6—Si6—C1Q | −108.1 (2) |
C2E—C1E—C6E—C5E | 2.9 (7) | K5—O6—Si6—C1P | 5.0 (2) |
Si2—C1E—C6E—C5E | −173.9 (4) | K6—O6—Si6—C1P | −115.6 (3) |
C4E—C5E—C6E—C1E | −0.4 (9) | K4—O6—Si6—C1P | 130.66 (19) |
O2—Si2—C1F—C6F | −132.5 (4) | K5—O6—Si6—C1R | −114.32 (19) |
C1E—Si2—C1F—C6F | 102.8 (4) | K6—O6—Si6—C1R | 125.2 (3) |
C1D—Si2—C1F—C6F | −10.3 (4) | K4—O6—Si6—C1R | 11.4 (2) |
K1—Si2—C1F—C6F | −75.4 (5) | K6—O6—Si6—K5 | −120.5 (4) |
K4—Si2—C1F—C6F | −130.4 (4) | K4—O6—Si6—K5 | 125.7 (2) |
K2—Si2—C1F—C6F | −165.7 (3) | K5—O6—Si6—K4 | −125.7 (2) |
O2—Si2—C1F—C2F | 52.7 (4) | K6—O6—Si6—K4 | 113.8 (3) |
C1E—Si2—C1F—C2F | −72.0 (4) | O6—Si6—C1P—C2P | −121.0 (4) |
C1D—Si2—C1F—C2F | 174.9 (3) | C1Q—Si6—C1P—C2P | 114.7 (4) |
K1—Si2—C1F—C2F | 109.8 (4) | C1R—Si6—C1P—C2P | −0.4 (4) |
K4—Si2—C1F—C2F | 54.8 (3) | K5—Si6—C1P—C2P | −117.6 (4) |
K2—Si2—C1F—C2F | 19.5 (4) | K4—Si6—C1P—C2P | −75.9 (4) |
C6F—C1F—C2F—C3F | 1.1 (7) | O6—Si6—C1P—C6P | 56.9 (4) |
Si2—C1F—C2F—C3F | 176.3 (4) | C1Q—Si6—C1P—C6P | −67.3 (4) |
C6F—C1F—C2F—K4 | 121.7 (4) | C1R—Si6—C1P—C6P | 177.6 (4) |
Si2—C1F—C2F—K4 | −63.1 (3) | K5—Si6—C1P—C6P | 60.3 (4) |
C1F—C2F—C3F—C4F | −0.2 (8) | K4—Si6—C1P—C6P | 102.1 (4) |
K4—C2F—C3F—C4F | −109.1 (5) | O6—Si6—C1P—K5 | −3.40 (16) |
C2F—C3F—C4F—C5F | −0.9 (9) | C1Q—Si6—C1P—K5 | −127.68 (16) |
C3F—C4F—C5F—C6F | 1.0 (9) | C1R—Si6—C1P—K5 | 117.24 (17) |
C4F—C5F—C6F—C1F | 0.0 (9) | K4—Si6—C1P—K5 | 41.74 (19) |
C2F—C1F—C6F—C5F | −1.0 (7) | C6P—C1P—C2P—C3P | −1.8 (7) |
Si2—C1F—C6F—C5F | −176.0 (4) | Si6—C1P—C2P—C3P | 176.2 (4) |
K5—O3—Si3—C1H | 17.3 (3) | K5—C1P—C2P—C3P | 81.0 (5) |
K3—O3—Si3—C1H | −132.2 (2) | C1P—C2P—C3P—C4P | 0.8 (8) |
K6—O3—Si3—C1H | 120.4 (2) | C2P—C3P—C4P—C5P | 0.2 (8) |
K5—O3—Si3—C1G | 138.7 (2) | C3P—C4P—C5P—C6P | 0.0 (9) |
K3—O3—Si3—C1G | −10.8 (2) | C2P—C1P—C6P—C5P | 2.0 (7) |
K6—O3—Si3—C1G | −118.17 (19) | Si6—C1P—C6P—C5P | −176.1 (4) |
K5—O3—Si3—C1I | −104.2 (2) | K5—C1P—C6P—C5P | −112.4 (5) |
K3—O3—Si3—C1I | 106.3 (2) | C2P—C1P—C6P—K5 | 114.4 (4) |
K6—O3—Si3—C1I | −1.1 (3) | Si6—C1P—C6P—K5 | −63.7 (3) |
K5—O3—Si3—K3 | 149.5 (3) | C4P—C5P—C6P—C1P | −1.2 (9) |
K6—O3—Si3—K3 | −107.4 (2) | C4P—C5P—C6P—K5 | −98.6 (5) |
K5—O3—Si3—K6 | −103.1 (2) | O6—Si6—C1Q—C6Q | −152.6 (4) |
K3—O3—Si3—K6 | 107.4 (2) | C1P—Si6—C1Q—C6Q | −29.2 (5) |
K3—O3—Si3—K5 | −149.5 (3) | C1R—Si6—C1Q—C6Q | 86.3 (5) |
K6—O3—Si3—K5 | 103.1 (2) | K5—Si6—C1Q—C6Q | −109.1 (4) |
O3—Si3—C1G—C2G | −130.3 (4) | K4—Si6—C1Q—C6Q | 159.6 (4) |
C1H—Si3—C1G—C2G | −5.1 (5) | O6—Si6—C1Q—C2Q | 30.2 (5) |
C1I—Si3—C1G—C2G | 107.9 (4) | C1P—Si6—C1Q—C2Q | 153.7 (4) |
K3—Si3—C1G—C2G | −137.1 (4) | C1R—Si6—C1Q—C2Q | −90.9 (4) |
K6—Si3—C1G—C2G | −173.8 (3) | K5—Si6—C1Q—C2Q | 73.7 (5) |
K5—Si3—C1G—C2G | −100.4 (4) | K4—Si6—C1Q—C2Q | −17.5 (5) |
O3—Si3—C1G—C6G | 52.5 (4) | C6Q—C1Q—C2Q—C3Q | 2.0 (8) |
C1H—Si3—C1G—C6G | 177.7 (4) | Si6—C1Q—C2Q—C3Q | 179.3 (5) |
C1I—Si3—C1G—C6G | −69.3 (4) | C1Q—C2Q—C3Q—C4Q | −2.1 (10) |
K3—Si3—C1G—C6G | 45.7 (3) | C2Q—C3Q—C4Q—C5Q | 1.6 (12) |
K6—Si3—C1G—C6G | 9.0 (4) | C3Q—C4Q—C5Q—C6Q | −1.0 (13) |
K5—Si3—C1G—C6G | 82.4 (4) | C4Q—C5Q—C6Q—C1Q | 1.0 (12) |
C6G—C1G—C2G—C3G | 0.3 (7) | C2Q—C1Q—C6Q—C5Q | −1.4 (9) |
Si3—C1G—C2G—C3G | −177.0 (4) | Si6—C1Q—C6Q—C5Q | −178.7 (6) |
C1G—C2G—C3G—C4G | 0.9 (9) | O6—Si6—C1R—C2R | 53.2 (4) |
C2G—C3G—C4G—C5G | −2.0 (9) | C1Q—Si6—C1R—C2R | 176.2 (4) |
C3G—C4G—C5G—C6G | 1.9 (9) | C1P—Si6—C1R—C2R | −68.4 (4) |
C4G—C5G—C6G—C1G | −0.7 (8) | K5—Si6—C1R—C2R | 9.8 (5) |
C4G—C5G—C6G—K3 | −121.1 (5) | K4—Si6—C1R—C2R | 61.6 (4) |
C2G—C1G—C6G—C5G | −0.4 (7) | O6—Si6—C1R—C6R | −121.8 (5) |
Si3—C1G—C6G—C5G | 177.1 (4) | C1Q—Si6—C1R—C6R | 1.2 (5) |
C2G—C1G—C6G—K3 | 132.3 (4) | C1P—Si6—C1R—C6R | 116.6 (5) |
Si3—C1G—C6G—K3 | −50.2 (3) | K5—Si6—C1R—C6R | −165.3 (4) |
O3—Si3—C1H—C6H | −143.8 (5) | K4—Si6—C1R—C6R | −113.4 (5) |
C1G—Si3—C1H—C6H | 90.8 (6) | O6—Si6—C1R—K4 | −8.39 (16) |
C1I—Si3—C1H—C6H | −19.7 (6) | C1Q—Si6—C1R—K4 | 114.60 (17) |
K3—Si3—C1H—C6H | 177.0 (5) | C1P—Si6—C1R—K4 | −130.01 (15) |
K6—Si3—C1H—C6H | −100.6 (5) | K5—Si6—C1R—K4 | −51.83 (13) |
K5—Si3—C1H—C6H | −134.6 (5) | C6R—C1R—C2R—C3R | 0.5 (8) |
O3—Si3—C1H—C2H | 37.7 (5) | Si6—C1R—C2R—C3R | −174.9 (4) |
C1G—Si3—C1H—C2H | −87.6 (4) | K4—C1R—C2R—C3R | −108.2 (5) |
C1I—Si3—C1H—C2H | 161.9 (4) | C6R—C1R—C2R—K4 | 108.7 (4) |
K3—Si3—C1H—C2H | −1.4 (5) | Si6—C1R—C2R—K4 | −66.6 (3) |
K6—Si3—C1H—C2H | 80.9 (5) | C1R—C2R—C3R—C4R | −0.3 (9) |
K5—Si3—C1H—C2H | 47.0 (4) | K4—C2R—C3R—C4R | −95.3 (6) |
C6H—C1H—C2H—C3H | −0.9 (8) | C2R—C3R—C4R—C5R | −0.2 (10) |
Si3—C1H—C2H—C3H | 177.7 (4) | C3R—C4R—C5R—C6R | 0.3 (11) |
C1H—C2H—C3H—C4H | −1.2 (8) | C4R—C5R—C6R—C1R | −0.1 (11) |
C2H—C3H—C4H—C5H | 2.6 (11) | C2R—C1R—C6R—C5R | −0.3 (9) |
C3H—C4H—C5H—C6H | −1.9 (14) | Si6—C1R—C6R—C5R | 174.9 (5) |
C4H—C5H—C6H—C1H | −0.2 (14) | K4—C1R—C6R—C5R | 79.8 (7) |
C2H—C1H—C6H—C5H | 1.5 (11) | C6S—C1S—C2S—C3S | 0.0 |
Si3—C1H—C6H—C5H | −177.0 (7) | C7S—C1S—C2S—C3S | −178.7 (11) |
O3—Si3—C1I—C2I | −130.9 (4) | C1S—C2S—C3S—C4S | 0.0 |
C1H—Si3—C1I—C2I | 104.2 (5) | C2S—C3S—C4S—C5S | 0.0 |
C1G—Si3—C1I—C2I | −8.1 (5) | C3S—C4S—C5S—C6S | 0.0 |
K3—Si3—C1I—C2I | −89.3 (4) | C4S—C5S—C6S—C1S | 0.0 |
K6—Si3—C1I—C2I | −131.6 (5) | C2S—C1S—C6S—C5S | 0.0 |
K5—Si3—C1I—C2I | −166.2 (4) | C7S—C1S—C6S—C5S | 178.8 (10) |
O3—Si3—C1I—C6I | 46.9 (5) | C6X—C1X—C2X—C3X | 0.0 |
C1H—Si3—C1I—C6I | −78.0 (5) | C7X—C1X—C2X—C3X | −178.7 (12) |
C1G—Si3—C1I—C6I | 169.7 (4) | C1X—C2X—C3X—C4X | 0.0 |
K3—Si3—C1I—C6I | 88.5 (4) | C2X—C3X—C4X—C5X | 0.0 |
K6—Si3—C1I—C6I | 46.2 (4) | C3X—C4X—C5X—C6X | 0.0 |
K5—Si3—C1I—C6I | 11.6 (5) | C4X—C5X—C6X—C1X | 0.0 |
C6I—C1I—C2I—C3I | −1.9 (8) | C2X—C1X—C6X—C5X | 0.0 |
Si3—C1I—C2I—C3I | 176.0 (5) | C7X—C1X—C6X—C5X | 178.7 (13) |
C1I—C2I—C3I—C4I | −0.4 (11) | C6T—C1T—C2T—C3T | 0.0 |
C2I—C3I—C4I—C5I | 2.5 (12) | C7T—C1T—C2T—C3T | −178.0 (11) |
C3I—C4I—C5I—C6I | −2.1 (13) | C1T—C2T—C3T—C4T | 0.0 |
C4I—C5I—C6I—C1I | −0.4 (11) | C2T—C3T—C4T—C5T | 0.0 |
C4I—C5I—C6I—K6 | −113.9 (7) | C3T—C4T—C5T—C6T | 0.0 |
C2I—C1I—C6I—C5I | 2.3 (9) | C4T—C5T—C6T—C1T | 0.0 |
Si3—C1I—C6I—C5I | −175.7 (5) | C2T—C1T—C6T—C5T | 0.0 |
C2I—C1I—C6I—K6 | 124.3 (4) | C7T—C1T—C6T—C5T | 178.0 (11) |
Si3—C1I—C6I—K6 | −53.7 (4) | C6Y—C1Y—C2Y—C3Y | 0.0 |
K4—O4—Si4—C1K | 5.4 (3) | C7Y—C1Y—C2Y—C3Y | 179.5 (18) |
K6—O4—Si4—C1K | −129.6 (3) | C1Y—C2Y—C3Y—C4Y | 0.0 |
K2—O4—Si4—C1K | 116.7 (2) | C2Y—C3Y—C4Y—C5Y | 0.0 |
K4—O4—Si4—C1L | 123.9 (2) | C3Y—C4Y—C5Y—C6Y | 0.0 |
K6—O4—Si4—C1L | −11.1 (3) | C4Y—C5Y—C6Y—C1Y | 0.0 |
K2—O4—Si4—C1L | −124.86 (18) | C2Y—C1Y—C6Y—C5Y | 0.0 |
K4—O4—Si4—C1J | −115.6 (2) | C7Y—C1Y—C6Y—C5Y | −179 (2) |
K6—O4—Si4—C1J | 109.4 (3) | K3—O1U—C1U—C2U | 30.3 (6) |
K2—O4—Si4—C1J | −4.3 (2) | K2—O1U—C1U—C2U | −124.3 (4) |
K4—O4—Si4—K2 | −111.3 (2) | K6—O1U—C1U—C2U | 141.0 (4) |
K6—O4—Si4—K2 | 113.8 (3) | K3—O1U—C1U—C3U | −92.8 (5) |
K6—O4—Si4—K4 | −134.9 (4) | K2—O1U—C1U—C3U | 112.6 (5) |
K2—O4—Si4—K4 | 111.3 (2) | K6—O1U—C1U—C3U | 17.9 (6) |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
O1W—H1W···O2 | 0.84 | 1.87 | 2.653 (4) | 155 |
O1W—H2W···O5 | 0.84 | 1.83 | 2.654 (4) | 168 |
O1U—H1U···O1 | 0.84 | 1.84 | 2.643 (4) | 161 |
(µ
4-Aqua)(µ
3-aqua)pentakis(µ
3-triphenylsilanolato)(µ
2-triphenylsilanolato)hexapotassium (u777bba)
top
Crystal data top
[K6(C18H15OSi)6(H2O)2] | Z = 2 |
Mr = 1922.97 | F(000) = 2008 |
Triclinic, P1 | Dx = 1.286 Mg m−3 |
a = 12.7633 (7) Å | Cu Kα radiation, λ = 1.54184 Å |
b = 14.7076 (8) Å | Cell parameters from 144636 reflections |
c = 28.183 (3) Å | θ = 3.1–67° |
α = 89.61 (2)° | µ = 3.48 mm−1 |
β = 78.98 (2)° | T = 100 K |
γ = 73.26 (2)° | Needle, colorless |
V = 4966.3 (9) Å3 | 0.17 × 0.15 × 0.09 mm |
Data collection top
XtaLAB Synergy R, DW system, HyPix-Arc 150 diffractometer | 19325 reflections with I > 2σ(I) |
Radiation source: Rotating-anode X-ray tube | Rint = 0.036 |
Detector resolution: 10.0000 pixels mm-1 | θmax = 75.9°, θmin = 3.1° |
Absorption correction: gaussian (CrysAlis PRO; Rigaku OD, 2020) | h = −15→14 |
Tmin = 0.635, Tmax = 1.000 | k = −18→18 |
243068 measured reflections | l = −35→35 |
20415 independent reflections | |
Refinement top
Refinement on F2 | 0 restraints |
Least-squares matrix: full | Hydrogen site location: mixed |
R[F2 > 2σ(F2)] = 0.052 | H atoms treated by a mixture of independent and constrained refinement |
wR(F2) = 0.124 | w = 1/[σ2(Fo2) + (0.0459P)2 + 6.6226P] where P = (Fo2 + 2Fc2)/3 |
S = 1.05 | (Δ/σ)max = 0.001 |
20415 reflections | Δρmax = 0.72 e Å−3 |
1249 parameters | Δρmin = −1.10 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. |
Refinement. Diffraction data for 1 and 2 were collected at 100 K
on an XCALIBUR PX monocrystalline diffractometer with a large CCD camera using
Cu Kα radiation (λ = 1.54184 Å). The CrysAlisPro software from
Oxford Diffraction was used to determine cell parameters, data reduction, and
absorption correction. The structures were solved by direct methods (SHELXS97)
and refined using the least-squares technique (SHELXL2013). |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | Occ. (<1) |
O1W | 0.43080 (19) | 0.79185 (15) | 0.24023 (7) | 0.0511 (5) | |
H1W1 | 0.424231 | 0.836155 | 0.221030 | 0.083 (13)* | |
H1W2 | 0.475471 | 0.739177 | 0.228983 | 0.119 (19)* | |
O2W | 0.1908 (3) | 0.6764 (2) | 0.25737 (13) | 0.0458 (9) | 0.574 (4) |
H2W1 | 0.240267 | 0.645048 | 0.271856 | 0.069* | 0.574 (4) |
H2W2 | 0.140666 | 0.651461 | 0.254560 | 0.069* | 0.574 (4) |
O3W | 0.1639 (4) | 0.7198 (3) | 0.23145 (17) | 0.0439 (12) | 0.426 (4) |
H3W1 | 0.095450 | 0.724851 | 0.236133 | 0.066* | 0.426 (4) |
H3W2 | 0.200789 | 0.707468 | 0.203001 | 0.066* | 0.426 (4) |
K1 | 0.50947 (4) | 0.66425 (4) | 0.30678 (2) | 0.04343 (13) | |
K2 | 0.19822 (9) | 0.76850 (6) | 0.34709 (7) | 0.0274 (3) | 0.574 (4) |
K21 | 0.22228 (14) | 0.76730 (9) | 0.32095 (11) | 0.0340 (5) | 0.426 (4) |
K3 | 0.38532 (5) | 0.57842 (5) | 0.20134 (3) | 0.0640 (2) | |
K4 | 0.35715 (4) | 0.93972 (4) | 0.30889 (2) | 0.03498 (12) | |
K5 | 0.49925 (4) | 0.75981 (3) | 0.12282 (2) | 0.03637 (12) | |
K6 | 0.22192 (10) | 0.84378 (15) | 0.20967 (3) | 0.0324 (4) | 0.574 (4) |
K61 | 0.19469 (13) | 0.89592 (19) | 0.20633 (5) | 0.0298 (4) | 0.426 (4) |
O1 | 0.34112 (15) | 0.59412 (11) | 0.30849 (6) | 0.0365 (4) | |
Si1 | 0.34963 (5) | 0.48972 (4) | 0.32563 (2) | 0.02871 (13) | |
C1A | 0.46819 (19) | 0.44007 (16) | 0.35821 (8) | 0.0313 (5) | |
C2A | 0.4965 (2) | 0.5001 (2) | 0.38870 (9) | 0.0412 (6) | |
H2A | 0.457344 | 0.566054 | 0.391526 | 0.049* | |
C3A | 0.5800 (2) | 0.4660 (2) | 0.41483 (10) | 0.0516 (7) | |
H3A | 0.598262 | 0.508553 | 0.434841 | 0.062* | |
C4A | 0.6368 (2) | 0.3703 (2) | 0.41183 (10) | 0.0521 (7) | |
H4A | 0.694008 | 0.346790 | 0.429810 | 0.062* | |
C5A | 0.6102 (2) | 0.3090 (2) | 0.38266 (10) | 0.0469 (7) | |
H5A | 0.648600 | 0.242984 | 0.380781 | 0.056* | |
C6A | 0.5271 (2) | 0.34350 (18) | 0.35590 (9) | 0.0367 (5) | |
H6A | 0.510210 | 0.300517 | 0.335668 | 0.044* | |
C1B | 0.3706 (2) | 0.40926 (16) | 0.27038 (8) | 0.0343 (5) | |
C2B | 0.2802 (3) | 0.40052 (19) | 0.25148 (10) | 0.0442 (6) | |
H2B | 0.206687 | 0.424234 | 0.270092 | 0.053* | |
C3B | 0.2966 (3) | 0.3569 (2) | 0.20502 (12) | 0.0574 (8) | |
H3B | 0.234338 | 0.351684 | 0.192544 | 0.069* | |
C4B | 0.4023 (3) | 0.3220 (2) | 0.17800 (12) | 0.0628 (9) | |
H4B | 0.412899 | 0.293233 | 0.146690 | 0.075* | |
C5B | 0.4924 (3) | 0.3282 (2) | 0.19561 (11) | 0.0555 (8) | |
H5B | 0.565515 | 0.303322 | 0.176776 | 0.067* | |
C6B | 0.4770 (2) | 0.37112 (17) | 0.24135 (9) | 0.0414 (6) | |
H6B | 0.540524 | 0.374706 | 0.253271 | 0.050* | |
C1C | 0.21941 (19) | 0.48377 (16) | 0.36885 (8) | 0.0316 (5) | |
C2C | 0.2195 (2) | 0.41001 (18) | 0.40007 (9) | 0.0362 (5) | |
H2C | 0.287044 | 0.360737 | 0.399292 | 0.043* | |
C3C | 0.1241 (2) | 0.40601 (19) | 0.43231 (9) | 0.0407 (6) | |
H3C | 0.126780 | 0.353923 | 0.452632 | 0.049* | |
C4C | 0.0258 (2) | 0.4774 (2) | 0.43481 (10) | 0.0436 (6) | |
H4C | −0.039692 | 0.475032 | 0.456786 | 0.052* | |
C5C | 0.0234 (2) | 0.5523 (2) | 0.40518 (13) | 0.0599 (9) | |
H5C | −0.043609 | 0.602823 | 0.407249 | 0.072* | |
C6C | 0.1184 (2) | 0.5543 (2) | 0.37229 (12) | 0.0527 (8) | |
H6C | 0.114299 | 0.605556 | 0.351373 | 0.063* | |
O2 | 0.37440 (13) | 0.79905 (12) | 0.36628 (5) | 0.0322 (3) | |
Si2 | 0.37274 (5) | 0.82359 (4) | 0.42125 (2) | 0.02745 (12) | |
C1D | 0.25690 (18) | 0.79322 (16) | 0.46488 (8) | 0.0293 (4) | |
C2D | 0.2311 (2) | 0.70898 (17) | 0.45698 (9) | 0.0339 (5) | |
H2D | 0.268023 | 0.670702 | 0.428239 | 0.041* | |
C3D | 0.1532 (2) | 0.67986 (19) | 0.48994 (9) | 0.0398 (6) | |
H3D | 0.136973 | 0.622522 | 0.483583 | 0.048* | |
C4D | 0.0989 (2) | 0.7346 (2) | 0.53221 (10) | 0.0425 (6) | |
H4D | 0.046360 | 0.714384 | 0.555140 | 0.051* | |
C5D | 0.1215 (2) | 0.8186 (2) | 0.54082 (10) | 0.0425 (6) | |
H5D | 0.083920 | 0.856624 | 0.569584 | 0.051* | |
C6D | 0.1993 (2) | 0.84778 (17) | 0.50732 (9) | 0.0358 (5) | |
H6D | 0.213564 | 0.906089 | 0.513492 | 0.043* | |
C1E | 0.50638 (19) | 0.75451 (17) | 0.44012 (8) | 0.0330 (5) | |
C2E | 0.5085 (2) | 0.70992 (17) | 0.48409 (9) | 0.0358 (5) | |
H2E | 0.440142 | 0.715761 | 0.506007 | 0.043* | |
C3E | 0.6078 (2) | 0.6573 (2) | 0.49665 (10) | 0.0470 (6) | |
H3E | 0.606799 | 0.627206 | 0.526585 | 0.056* | |
C4E | 0.7076 (3) | 0.6491 (3) | 0.46548 (12) | 0.0656 (10) | |
H4E | 0.775793 | 0.613003 | 0.473692 | 0.079* | |
C5E | 0.7081 (3) | 0.6940 (3) | 0.42189 (12) | 0.0772 (12) | |
H5E | 0.776863 | 0.689917 | 0.400620 | 0.093* | |
C6E | 0.6088 (2) | 0.7446 (3) | 0.40950 (10) | 0.0576 (8) | |
H6E | 0.610401 | 0.773421 | 0.379207 | 0.069* | |
C1F | 0.35771 (19) | 0.95476 (17) | 0.43092 (8) | 0.0301 (5) | |
C2F | 0.2651 (2) | 1.02418 (18) | 0.42053 (9) | 0.0377 (5) | |
H2F | 0.206474 | 1.004798 | 0.411476 | 0.045* | |
C3F | 0.2561 (3) | 1.12036 (19) | 0.42304 (9) | 0.0434 (6) | |
H3F | 0.192349 | 1.165700 | 0.415523 | 0.052* | |
C4F | 0.3402 (2) | 1.15016 (19) | 0.43653 (9) | 0.0421 (6) | |
H4F | 0.334624 | 1.215935 | 0.438156 | 0.051* | |
C5F | 0.4321 (2) | 1.08391 (19) | 0.44758 (9) | 0.0408 (6) | |
H5F | 0.489606 | 1.104154 | 0.457150 | 0.049* | |
C6F | 0.4410 (2) | 0.98716 (18) | 0.44478 (8) | 0.0345 (5) | |
H6F | 0.504930 | 0.942324 | 0.452431 | 0.041* | |
O3 | 0.30574 (17) | 0.71395 (12) | 0.14289 (7) | 0.0462 (5) | |
Si3 | 0.26424 (5) | 0.71846 (4) | 0.09310 (2) | 0.03067 (13) | |
C1G | 0.19033 (18) | 0.62712 (15) | 0.08564 (8) | 0.0284 (4) | |
C2G | 0.1678 (2) | 0.60519 (17) | 0.04104 (9) | 0.0335 (5) | |
H2G | 0.192997 | 0.635597 | 0.013155 | 0.040* | |
C3G | 0.1098 (2) | 0.54033 (18) | 0.03656 (10) | 0.0387 (5) | |
H3G | 0.094355 | 0.527710 | 0.006012 | 0.046* | |
C4G | 0.0744 (2) | 0.49410 (18) | 0.07639 (11) | 0.0440 (6) | |
H4G | 0.034872 | 0.449370 | 0.073418 | 0.053* | |
C5G | 0.0967 (2) | 0.5132 (2) | 0.12043 (11) | 0.0499 (7) | |
H5G | 0.073122 | 0.481050 | 0.147925 | 0.060* | |
C6G | 0.1536 (2) | 0.57919 (18) | 0.12501 (9) | 0.0383 (5) | |
H6G | 0.167715 | 0.591850 | 0.155825 | 0.046* | |
C1H | 0.3869 (2) | 0.69672 (18) | 0.04084 (11) | 0.0410 (6) | |
C2H | 0.4741 (2) | 0.6126 (2) | 0.03571 (14) | 0.0570 (8) | |
H2H | 0.469012 | 0.564620 | 0.058021 | 0.068* | |
C3H | 0.5687 (3) | 0.5963 (3) | −0.00102 (18) | 0.0784 (12) | |
H3H | 0.626400 | 0.537813 | −0.003573 | 0.094* | |
C4H | 0.5783 (3) | 0.6645 (4) | −0.0333 (2) | 0.0999 (16) | |
H4H | 0.642088 | 0.653474 | −0.058645 | 0.120* | |
C5H | 0.4946 (3) | 0.7497 (4) | −0.02886 (18) | 0.1018 (17) | |
H5H | 0.501307 | 0.797729 | −0.050953 | 0.122* | |
C6H | 0.4004 (3) | 0.7655 (3) | 0.00784 (13) | 0.0654 (9) | |
H6H | 0.343789 | 0.824672 | 0.010472 | 0.078* | |
C1I | 0.16806 (19) | 0.83911 (16) | 0.08396 (8) | 0.0291 (4) | |
C2I | 0.18892 (18) | 0.92213 (15) | 0.09793 (8) | 0.0277 (4) | |
H2I | 0.251411 | 0.917178 | 0.112536 | 0.033* | |
C3I | 0.12115 (19) | 1.01135 (16) | 0.09111 (9) | 0.0326 (5) | |
H3I | 0.136610 | 1.066560 | 0.101548 | 0.039* | |
C4I | 0.0312 (2) | 1.02025 (16) | 0.06917 (9) | 0.0342 (5) | |
H4I | −0.015409 | 1.081426 | 0.064357 | 0.041* | |
C5I | 0.0096 (2) | 0.93997 (19) | 0.05436 (11) | 0.0471 (7) | |
H5I | −0.051363 | 0.945534 | 0.038621 | 0.057* | |
C6I | 0.0763 (3) | 0.85085 (19) | 0.06228 (12) | 0.0521 (8) | |
H6I | 0.058740 | 0.796107 | 0.052609 | 0.063* | |
O4 | 0.15694 (13) | 0.93752 (14) | 0.30131 (6) | 0.0390 (4) | |
Si4 | 0.02932 (5) | 0.99735 (5) | 0.31157 (2) | 0.03125 (13) | |
C1J | −0.0554 (2) | 0.96028 (19) | 0.36662 (10) | 0.0392 (6) | |
C2J | −0.0100 (2) | 0.92252 (19) | 0.40552 (9) | 0.0401 (6) | |
H2J | 0.065781 | 0.917905 | 0.405506 | 0.048* | |
C3J | −0.0718 (3) | 0.8909 (2) | 0.44491 (10) | 0.0567 (8) | |
H3J | −0.037872 | 0.865056 | 0.471137 | 0.068* | |
C4J | −0.1804 (3) | 0.8967 (3) | 0.44597 (13) | 0.0724 (11) | |
H4J | −0.221415 | 0.872078 | 0.471992 | 0.087* | |
C5J | −0.2304 (3) | 0.9388 (4) | 0.4090 (2) | 0.115 (2) | |
H5J | −0.307590 | 0.947217 | 0.410493 | 0.138* | |
C6J | −0.1680 (3) | 0.9687 (4) | 0.36962 (18) | 0.1020 (19) | |
H6J | −0.203050 | 0.995750 | 0.343878 | 0.122* | |
C1K | 0.0083 (2) | 1.12825 (19) | 0.31879 (8) | 0.0385 (6) | |
C2K | −0.0957 (3) | 1.1962 (2) | 0.31947 (10) | 0.0513 (7) | |
H2K | −0.158008 | 1.175437 | 0.316280 | 0.062* | |
C3K | −0.1089 (4) | 1.2931 (2) | 0.32472 (12) | 0.0689 (10) | |
H3K | −0.179163 | 1.338175 | 0.324546 | 0.083* | |
C4K | −0.0168 (4) | 1.3234 (3) | 0.33028 (12) | 0.0738 (9) | |
H4K | −0.025332 | 1.389287 | 0.334591 | 0.089* | |
C5K | 0.0867 (4) | 1.2577 (3) | 0.32954 (12) | 0.0738 (9) | |
H5K | 0.149094 | 1.278188 | 0.333001 | 0.089* | |
C6K | 0.0974 (3) | 1.1621 (2) | 0.32370 (10) | 0.0532 (8) | |
H6K | 0.168353 | 1.117435 | 0.322988 | 0.064* | |
C1L | −0.0399 (2) | 0.97447 (19) | 0.26070 (11) | 0.0428 (6) | |
C2L | −0.0516 (4) | 0.8847 (3) | 0.2544 (2) | 0.124 (2) | |
H2L | −0.030546 | 0.839191 | 0.277588 | 0.149* | |
C3L | −0.0921 (5) | 0.8577 (3) | 0.2166 (3) | 0.153 (3) | |
H3L | −0.097803 | 0.795047 | 0.213968 | 0.184* | |
C4L | −0.1232 (3) | 0.9204 (4) | 0.18366 (17) | 0.0999 (19) | |
H4L | −0.150893 | 0.902622 | 0.157266 | 0.120* | |
C5L | −0.1149 (4) | 1.0089 (4) | 0.18833 (12) | 0.0899 (15) | |
H5L | −0.138524 | 1.054127 | 0.165449 | 0.108* | |
C6L | −0.0721 (2) | 1.0350 (2) | 0.22626 (9) | 0.0493 (7) | |
H6L | −0.065256 | 1.097472 | 0.228036 | 0.059* | |
O5 | 0.56570 (14) | 0.63134 (12) | 0.19646 (6) | 0.0390 (4) | |
Si5 | 0.69600 (6) | 0.58294 (5) | 0.17856 (3) | 0.03877 (15) | |
C1M | 0.7617 (3) | 0.6402 (3) | 0.12434 (13) | 0.0296 (6) | 0.5 |
C2M | 0.7319 (3) | 0.6291 (3) | 0.08028 (16) | 0.0431 (14) | 0.5 |
H2M | 0.686058 | 0.589553 | 0.077369 | 0.052* | 0.5 |
C3M | 0.7691 (4) | 0.6759 (4) | 0.04049 (13) | 0.0494 (19) | 0.5 |
H3M | 0.748769 | 0.668361 | 0.010378 | 0.059* | 0.5 |
C4M | 0.8362 (4) | 0.7338 (3) | 0.04475 (13) | 0.052 (2) | 0.5 |
H4M | 0.861670 | 0.765789 | 0.017556 | 0.062* | 0.5 |
C5M | 0.8660 (4) | 0.7449 (3) | 0.08881 (15) | 0.0600 (17) | 0.5 |
H5M | 0.911863 | 0.784410 | 0.091725 | 0.072* | 0.5 |
C6M | 0.8288 (3) | 0.6980 (3) | 0.12860 (12) | 0.0496 (14) | 0.5 |
H6M | 0.849153 | 0.705603 | 0.158716 | 0.059* | 0.5 |
C1MM | 0.7470 (3) | 0.6545 (2) | 0.12617 (13) | 0.0296 (6) | 0.5 |
C2MM | 0.7878 (3) | 0.61598 (18) | 0.07905 (15) | 0.0369 (13) | 0.5 |
H2MM | 0.795126 | 0.551116 | 0.072000 | 0.044* | 0.5 |
C3MM | 0.8179 (3) | 0.6724 (3) | 0.04223 (11) | 0.0448 (18) | 0.5 |
H3MM | 0.845825 | 0.646062 | 0.010015 | 0.054* | 0.5 |
C4MM | 0.8072 (3) | 0.7673 (2) | 0.05253 (11) | 0.0359 (15) | 0.5 |
H4MM | 0.827827 | 0.805833 | 0.027370 | 0.043* | 0.5 |
C5MM | 0.7664 (3) | 0.80580 (17) | 0.09966 (12) | 0.0307 (9) | 0.5 |
H5MM | 0.759128 | 0.870661 | 0.106709 | 0.037* | 0.5 |
C6MM | 0.7363 (3) | 0.7494 (2) | 0.13648 (9) | 0.0285 (9) | 0.5 |
H6MM | 0.708427 | 0.775717 | 0.168694 | 0.034* | 0.5 |
C1N | 0.7112 (3) | 0.45838 (19) | 0.14585 (13) | 0.0401 (8) | 0.5 |
C2N | 0.6468 (3) | 0.45266 (19) | 0.11202 (13) | 0.0371 (10) | 0.5 |
H2N | 0.589147 | 0.506959 | 0.106741 | 0.045* | 0.5 |
C3N | 0.6667 (3) | 0.3675 (2) | 0.08592 (11) | 0.0423 (12) | 0.5 |
H3N | 0.622638 | 0.363606 | 0.062801 | 0.051* | 0.5 |
C4N | 0.7510 (3) | 0.2881 (2) | 0.09365 (15) | 0.0543 (16) | 0.5 |
H4N | 0.764548 | 0.229869 | 0.075806 | 0.065* | 0.5 |
C5N | 0.8154 (3) | 0.2938 (2) | 0.12747 (18) | 0.057 (2) | 0.5 |
H5N | 0.872969 | 0.239484 | 0.132753 | 0.069* | 0.5 |
C6N | 0.7955 (3) | 0.3789 (2) | 0.15357 (15) | 0.0484 (14) | 0.5 |
H6N | 0.839479 | 0.382837 | 0.176694 | 0.058* | 0.5 |
C1NN | 0.7722 (3) | 0.2939 (2) | 0.20171 (13) | 0.0401 (8) | 0.5 |
C2NN | 0.7457 (3) | 0.3920 (2) | 0.20874 (10) | 0.0432 (12) | 0.5 |
H2NN | 0.724003 | 0.420450 | 0.240625 | 0.052* | 0.5 |
C3NN | 0.7511 (3) | 0.44847 (19) | 0.16912 (13) | 0.0435 (12) | 0.5 |
H3NN | 0.732977 | 0.515510 | 0.173926 | 0.052* | 0.5 |
C4NN | 0.7829 (4) | 0.4069 (3) | 0.12246 (11) | 0.0529 (14) | 0.5 |
H4NN | 0.786517 | 0.445446 | 0.095385 | 0.064* | 0.5 |
C5NN | 0.8093 (4) | 0.3088 (3) | 0.11543 (12) | 0.068 (3) | 0.5 |
H5NN | 0.831083 | 0.280323 | 0.083544 | 0.082* | 0.5 |
C6NN | 0.8040 (4) | 0.2523 (2) | 0.15505 (16) | 0.0616 (17) | 0.5 |
H6NN | 0.822109 | 0.185262 | 0.150243 | 0.074* | 0.5 |
C1O | 0.7760 (3) | 0.6142 (2) | 0.23128 (11) | 0.0369 (9) | 0.5 |
C2O | 0.7335 (2) | 0.7036 (2) | 0.25498 (12) | 0.0373 (11) | 0.5 |
H2O | 0.666979 | 0.746562 | 0.248499 | 0.045* | 0.5 |
C3O | 0.7884 (3) | 0.73019 (19) | 0.28817 (11) | 0.0398 (11) | 0.5 |
H3O | 0.759410 | 0.791298 | 0.304371 | 0.048* | 0.5 |
C4O | 0.8858 (3) | 0.6674 (2) | 0.29766 (12) | 0.0417 (12) | 0.5 |
H4O | 0.923325 | 0.685519 | 0.320346 | 0.050* | 0.5 |
C5O | 0.9283 (2) | 0.5779 (2) | 0.27396 (14) | 0.0401 (15) | 0.5 |
H5O | 0.994811 | 0.535003 | 0.280449 | 0.048* | 0.5 |
C6O | 0.8734 (3) | 0.55137 (19) | 0.24077 (13) | 0.0391 (11) | 0.5 |
H6O | 0.902381 | 0.490264 | 0.224577 | 0.047* | 0.5 |
C1OO | 0.7780 (3) | 0.5671 (3) | 0.22471 (12) | 0.0369 (9) | 0.5 |
C2OO | 0.7414 (3) | 0.5320 (3) | 0.26875 (13) | 0.0484 (13) | 0.5 |
H2OO | 0.676819 | 0.510747 | 0.273324 | 0.058* | 0.5 |
C3OO | 0.7994 (4) | 0.5282 (3) | 0.30611 (11) | 0.0581 (16) | 0.5 |
H3OO | 0.774421 | 0.504260 | 0.336212 | 0.070* | 0.5 |
C4OO | 0.8940 (4) | 0.5594 (3) | 0.29942 (16) | 0.073 (2) | 0.5 |
H4OO | 0.933578 | 0.556720 | 0.324955 | 0.088* | 0.5 |
C5OO | 0.9305 (3) | 0.5944 (3) | 0.25538 (19) | 0.079 (3) | 0.5 |
H5OO | 0.995135 | 0.615665 | 0.250809 | 0.094* | 0.5 |
C6OO | 0.8725 (3) | 0.5982 (3) | 0.21802 (14) | 0.0537 (15) | 0.5 |
H6OO | 0.897535 | 0.622152 | 0.187920 | 0.064* | 0.5 |
O6 | 0.39222 (13) | 0.91769 (11) | 0.17483 (6) | 0.0323 (3) | |
Si6 | 0.41582 (5) | 1.01814 (4) | 0.16886 (2) | 0.02685 (12) | |
C1P | 0.28826 (18) | 1.11520 (16) | 0.15980 (8) | 0.0290 (4) | |
C2P | 0.18991 (19) | 1.13726 (16) | 0.19502 (9) | 0.0326 (5) | |
H2P | 0.187778 | 1.101685 | 0.223261 | 0.039* | |
C3P | 0.0954 (2) | 1.20941 (17) | 0.19002 (10) | 0.0379 (5) | |
H3P | 0.030583 | 1.223812 | 0.214979 | 0.045* | |
C4P | 0.0960 (2) | 1.26039 (17) | 0.14844 (10) | 0.0404 (6) | |
H4P | 0.031481 | 1.309686 | 0.144707 | 0.048* | |
C5P | 0.1910 (2) | 1.23906 (18) | 0.11242 (10) | 0.0389 (6) | |
H5P | 0.191292 | 1.273032 | 0.083627 | 0.047* | |
C6P | 0.2860 (2) | 1.16801 (17) | 0.11827 (9) | 0.0332 (5) | |
H6P | 0.350978 | 1.154946 | 0.093457 | 0.040* | |
C1R | 0.53063 (19) | 1.0159 (2) | 0.11530 (8) | 0.0368 (5) | |
C2R | 0.6164 (2) | 1.0563 (3) | 0.11742 (10) | 0.0518 (8) | |
H2R | 0.616970 | 1.087484 | 0.146741 | 0.062* | |
C3R | 0.7010 (3) | 1.0517 (4) | 0.07733 (12) | 0.0789 (13) | |
H3R | 0.758693 | 1.079489 | 0.079481 | 0.095* | |
C4R | 0.7011 (3) | 1.0068 (4) | 0.03448 (11) | 0.0839 (15) | |
H4R | 0.759223 | 1.003114 | 0.007236 | 0.101* | |
C5R | 0.6169 (3) | 0.9672 (3) | 0.03117 (10) | 0.0694 (11) | |
H5R | 0.616621 | 0.936950 | 0.001551 | 0.083* | |
C6R | 0.5326 (2) | 0.9716 (2) | 0.07118 (9) | 0.0469 (7) | |
H6R | 0.475048 | 0.943949 | 0.068539 | 0.056* | |
C1S | 0.46237 (19) | 1.05175 (17) | 0.22442 (8) | 0.0295 (5) | |
C2S | 0.4006 (2) | 1.12727 (17) | 0.25745 (8) | 0.0327 (5) | |
H2S | 0.334464 | 1.169877 | 0.250410 | 0.039* | |
C3S | 0.4335 (2) | 1.14169 (19) | 0.30044 (9) | 0.0400 (6) | |
H3S | 0.388920 | 1.192688 | 0.322639 | 0.048* | |
C4S | 0.5306 (3) | 1.0822 (2) | 0.31087 (9) | 0.0450 (6) | |
H4S | 0.552995 | 1.092059 | 0.340219 | 0.054* | |
C5S | 0.5956 (2) | 1.0078 (2) | 0.27840 (9) | 0.0436 (6) | |
H5S | 0.663313 | 0.967428 | 0.285183 | 0.052* | |
C6S | 0.5615 (2) | 0.99241 (19) | 0.23579 (8) | 0.0349 (5) | |
H6S | 0.606151 | 0.940773 | 0.213975 | 0.042* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
O1W | 0.0756 (14) | 0.0447 (11) | 0.0391 (10) | −0.0158 (10) | −0.0290 (10) | 0.0093 (9) |
O2W | 0.0487 (19) | 0.0447 (19) | 0.048 (2) | −0.0152 (15) | −0.0166 (16) | 0.0135 (16) |
O3W | 0.041 (2) | 0.049 (3) | 0.043 (3) | −0.016 (2) | −0.0085 (19) | 0.005 (2) |
K1 | 0.0268 (2) | 0.0461 (3) | 0.0539 (3) | −0.0085 (2) | −0.0031 (2) | 0.0058 (2) |
K2 | 0.0277 (5) | 0.0281 (4) | 0.0280 (7) | −0.0105 (3) | −0.0063 (4) | 0.0037 (4) |
K21 | 0.0306 (7) | 0.0259 (6) | 0.0477 (14) | −0.0089 (5) | −0.0123 (8) | 0.0048 (6) |
K3 | 0.0393 (3) | 0.0432 (3) | 0.1258 (7) | −0.0234 (3) | −0.0393 (4) | 0.0432 (4) |
K4 | 0.0330 (2) | 0.0475 (3) | 0.0341 (2) | −0.0236 (2) | −0.0121 (2) | 0.0171 (2) |
K5 | 0.0323 (3) | 0.0275 (2) | 0.0534 (3) | −0.00812 (19) | −0.0195 (2) | 0.0024 (2) |
K6 | 0.0328 (5) | 0.0406 (10) | 0.0256 (4) | −0.0135 (6) | −0.0056 (3) | 0.0004 (4) |
K61 | 0.0280 (7) | 0.0318 (11) | 0.0301 (6) | −0.0111 (7) | −0.0030 (5) | 0.0011 (6) |
O1 | 0.0457 (10) | 0.0259 (8) | 0.0376 (9) | −0.0103 (7) | −0.0077 (7) | 0.0065 (7) |
Si1 | 0.0307 (3) | 0.0244 (3) | 0.0309 (3) | −0.0070 (2) | −0.0076 (2) | 0.0057 (2) |
C1A | 0.0288 (11) | 0.0320 (11) | 0.0306 (11) | −0.0064 (9) | −0.0038 (9) | 0.0022 (9) |
C2A | 0.0380 (13) | 0.0447 (14) | 0.0387 (13) | −0.0083 (11) | −0.0083 (10) | −0.0040 (11) |
C3A | 0.0445 (15) | 0.071 (2) | 0.0411 (15) | −0.0159 (14) | −0.0132 (12) | −0.0038 (13) |
C4A | 0.0336 (14) | 0.079 (2) | 0.0397 (14) | −0.0078 (14) | −0.0120 (11) | 0.0121 (14) |
C5A | 0.0349 (13) | 0.0502 (16) | 0.0446 (15) | 0.0018 (11) | −0.0038 (11) | 0.0127 (12) |
C6A | 0.0338 (12) | 0.0363 (13) | 0.0358 (12) | −0.0048 (10) | −0.0048 (10) | 0.0049 (10) |
C1B | 0.0510 (14) | 0.0234 (11) | 0.0337 (12) | −0.0165 (10) | −0.0130 (10) | 0.0101 (9) |
C2B | 0.0586 (17) | 0.0355 (13) | 0.0491 (15) | −0.0243 (12) | −0.0200 (13) | 0.0098 (11) |
C3B | 0.090 (2) | 0.0475 (16) | 0.0585 (18) | −0.0442 (17) | −0.0348 (18) | 0.0109 (14) |
C4B | 0.099 (3) | 0.0572 (19) | 0.0445 (16) | −0.0476 (19) | −0.0048 (17) | −0.0042 (14) |
C5B | 0.082 (2) | 0.0446 (16) | 0.0419 (15) | −0.0326 (16) | 0.0036 (15) | −0.0039 (12) |
C6B | 0.0591 (16) | 0.0302 (12) | 0.0345 (12) | −0.0170 (11) | −0.0020 (11) | 0.0024 (10) |
C1C | 0.0320 (11) | 0.0329 (12) | 0.0318 (11) | −0.0099 (9) | −0.0103 (9) | 0.0057 (9) |
C2C | 0.0372 (13) | 0.0351 (12) | 0.0363 (12) | −0.0094 (10) | −0.0098 (10) | 0.0097 (10) |
C3C | 0.0468 (14) | 0.0437 (14) | 0.0361 (13) | −0.0190 (12) | −0.0103 (11) | 0.0119 (11) |
C4C | 0.0363 (13) | 0.0580 (17) | 0.0389 (13) | −0.0191 (12) | −0.0054 (11) | 0.0078 (12) |
C5C | 0.0295 (13) | 0.065 (2) | 0.075 (2) | −0.0015 (13) | −0.0052 (13) | 0.0281 (17) |
C6C | 0.0339 (14) | 0.0524 (17) | 0.0648 (18) | −0.0039 (12) | −0.0075 (13) | 0.0310 (14) |
O2 | 0.0355 (8) | 0.0425 (9) | 0.0247 (7) | −0.0196 (7) | −0.0081 (6) | 0.0056 (6) |
Si2 | 0.0300 (3) | 0.0334 (3) | 0.0237 (3) | −0.0153 (2) | −0.0075 (2) | 0.0054 (2) |
C1D | 0.0292 (11) | 0.0322 (11) | 0.0283 (10) | −0.0102 (9) | −0.0088 (9) | 0.0075 (9) |
C2D | 0.0376 (12) | 0.0353 (12) | 0.0315 (11) | −0.0149 (10) | −0.0072 (9) | 0.0066 (9) |
C3D | 0.0417 (14) | 0.0419 (14) | 0.0426 (14) | −0.0217 (11) | −0.0101 (11) | 0.0134 (11) |
C4D | 0.0359 (13) | 0.0509 (15) | 0.0430 (14) | −0.0190 (12) | −0.0037 (11) | 0.0152 (12) |
C5D | 0.0371 (13) | 0.0472 (15) | 0.0375 (13) | −0.0099 (11) | 0.0029 (10) | 0.0031 (11) |
C6D | 0.0348 (12) | 0.0329 (12) | 0.0390 (13) | −0.0109 (10) | −0.0038 (10) | 0.0038 (10) |
C1E | 0.0320 (12) | 0.0395 (13) | 0.0301 (11) | −0.0126 (10) | −0.0092 (9) | −0.0022 (9) |
C2E | 0.0370 (13) | 0.0377 (13) | 0.0341 (12) | −0.0092 (10) | −0.0133 (10) | 0.0025 (10) |
C3E | 0.0485 (16) | 0.0502 (16) | 0.0420 (14) | −0.0053 (12) | −0.0226 (12) | −0.0015 (12) |
C4E | 0.0378 (15) | 0.096 (3) | 0.0526 (18) | 0.0070 (16) | −0.0235 (14) | −0.0126 (17) |
C5E | 0.0305 (15) | 0.141 (4) | 0.0473 (18) | −0.0053 (18) | −0.0082 (13) | −0.004 (2) |
C6E | 0.0331 (14) | 0.103 (3) | 0.0353 (14) | −0.0157 (15) | −0.0088 (11) | 0.0048 (15) |
C1F | 0.0368 (12) | 0.0376 (12) | 0.0217 (10) | −0.0194 (10) | −0.0063 (9) | 0.0066 (8) |
C2F | 0.0458 (14) | 0.0378 (13) | 0.0377 (13) | −0.0194 (11) | −0.0177 (11) | 0.0078 (10) |
C3F | 0.0592 (17) | 0.0387 (14) | 0.0391 (13) | −0.0180 (12) | −0.0207 (12) | 0.0099 (11) |
C4F | 0.0669 (18) | 0.0387 (13) | 0.0307 (12) | −0.0280 (13) | −0.0142 (12) | 0.0105 (10) |
C5F | 0.0543 (16) | 0.0481 (15) | 0.0336 (12) | −0.0339 (13) | −0.0126 (11) | 0.0083 (11) |
C6F | 0.0396 (13) | 0.0427 (13) | 0.0287 (11) | −0.0221 (11) | −0.0095 (9) | 0.0086 (9) |
O3 | 0.0692 (13) | 0.0322 (9) | 0.0559 (11) | −0.0234 (9) | −0.0445 (10) | 0.0166 (8) |
Si3 | 0.0360 (3) | 0.0246 (3) | 0.0390 (3) | −0.0124 (2) | −0.0204 (3) | 0.0075 (2) |
C1G | 0.0259 (10) | 0.0223 (10) | 0.0378 (12) | −0.0062 (8) | −0.0093 (9) | 0.0032 (8) |
C2G | 0.0336 (12) | 0.0353 (12) | 0.0349 (12) | −0.0141 (10) | −0.0084 (9) | 0.0017 (9) |
C3G | 0.0363 (13) | 0.0356 (13) | 0.0477 (14) | −0.0122 (10) | −0.0138 (11) | −0.0043 (11) |
C4G | 0.0374 (13) | 0.0328 (13) | 0.0696 (18) | −0.0184 (11) | −0.0168 (12) | 0.0058 (12) |
C5G | 0.0512 (16) | 0.0516 (16) | 0.0562 (17) | −0.0290 (14) | −0.0121 (13) | 0.0203 (13) |
C6G | 0.0408 (13) | 0.0396 (13) | 0.0390 (13) | −0.0164 (11) | −0.0120 (10) | 0.0066 (10) |
C1H | 0.0284 (12) | 0.0372 (13) | 0.0651 (17) | −0.0148 (10) | −0.0195 (11) | 0.0059 (12) |
C2H | 0.0409 (15) | 0.0367 (14) | 0.096 (3) | −0.0100 (12) | −0.0224 (16) | 0.0002 (15) |
C3H | 0.0297 (15) | 0.064 (2) | 0.135 (4) | −0.0042 (15) | −0.0140 (19) | −0.025 (2) |
C4H | 0.0391 (19) | 0.114 (4) | 0.126 (4) | −0.013 (2) | 0.018 (2) | 0.004 (3) |
C5H | 0.050 (2) | 0.126 (4) | 0.105 (3) | −0.008 (2) | 0.017 (2) | 0.035 (3) |
C6H | 0.0370 (15) | 0.074 (2) | 0.074 (2) | −0.0066 (15) | 0.0007 (15) | 0.0243 (18) |
C1I | 0.0344 (11) | 0.0276 (11) | 0.0293 (11) | −0.0115 (9) | −0.0127 (9) | 0.0048 (8) |
C2I | 0.0260 (10) | 0.0296 (11) | 0.0287 (10) | −0.0103 (9) | −0.0050 (8) | 0.0012 (8) |
C3I | 0.0323 (12) | 0.0280 (11) | 0.0374 (12) | −0.0098 (9) | −0.0051 (9) | −0.0023 (9) |
C4I | 0.0345 (12) | 0.0279 (11) | 0.0374 (12) | −0.0031 (9) | −0.0096 (10) | 0.0029 (9) |
C5I | 0.0535 (16) | 0.0346 (13) | 0.0613 (17) | −0.0080 (12) | −0.0386 (14) | 0.0055 (12) |
C6I | 0.0666 (19) | 0.0293 (13) | 0.076 (2) | −0.0137 (12) | −0.0519 (17) | 0.0047 (12) |
O4 | 0.0272 (8) | 0.0607 (11) | 0.0337 (9) | −0.0208 (8) | −0.0049 (7) | 0.0027 (8) |
Si4 | 0.0269 (3) | 0.0423 (3) | 0.0314 (3) | −0.0177 (3) | −0.0106 (2) | 0.0113 (3) |
C1J | 0.0270 (11) | 0.0437 (14) | 0.0464 (14) | −0.0116 (10) | −0.0042 (10) | 0.0156 (11) |
C2J | 0.0433 (14) | 0.0446 (14) | 0.0350 (12) | −0.0177 (11) | −0.0063 (10) | 0.0042 (10) |
C3J | 0.080 (2) | 0.0598 (19) | 0.0346 (14) | −0.0316 (17) | −0.0045 (14) | 0.0092 (13) |
C4J | 0.079 (2) | 0.073 (2) | 0.062 (2) | −0.041 (2) | 0.0215 (18) | 0.0127 (18) |
C5J | 0.045 (2) | 0.150 (5) | 0.149 (5) | −0.042 (3) | 0.002 (2) | 0.082 (4) |
C6J | 0.0361 (17) | 0.158 (4) | 0.124 (4) | −0.043 (2) | −0.023 (2) | 0.097 (3) |
C1K | 0.0519 (15) | 0.0470 (14) | 0.0230 (11) | −0.0274 (12) | −0.0025 (10) | 0.0051 (10) |
C2K | 0.0584 (18) | 0.0463 (16) | 0.0455 (15) | −0.0245 (14) | 0.0130 (13) | −0.0054 (12) |
C3K | 0.093 (3) | 0.0459 (17) | 0.0556 (19) | −0.0252 (17) | 0.0232 (18) | −0.0080 (14) |
C4K | 0.138 (3) | 0.0657 (17) | 0.0425 (11) | −0.0692 (16) | −0.0167 (16) | 0.0097 (12) |
C5K | 0.138 (3) | 0.0657 (17) | 0.0425 (11) | −0.0692 (16) | −0.0167 (16) | 0.0097 (12) |
C6K | 0.081 (2) | 0.0630 (18) | 0.0388 (14) | −0.0473 (17) | −0.0277 (14) | 0.0172 (13) |
C1L | 0.0353 (13) | 0.0408 (14) | 0.0571 (16) | −0.0116 (11) | −0.0201 (12) | −0.0008 (12) |
C2L | 0.143 (4) | 0.0430 (19) | 0.239 (7) | −0.032 (2) | −0.156 (5) | 0.017 (3) |
C3L | 0.129 (5) | 0.061 (3) | 0.305 (9) | −0.003 (3) | −0.162 (6) | −0.043 (4) |
C4L | 0.050 (2) | 0.164 (5) | 0.091 (3) | −0.047 (3) | 0.000 (2) | −0.071 (3) |
C5L | 0.100 (3) | 0.175 (5) | 0.0352 (16) | −0.097 (3) | −0.0252 (18) | 0.024 (2) |
C6L | 0.0511 (16) | 0.078 (2) | 0.0334 (13) | −0.0393 (15) | −0.0133 (12) | 0.0132 (13) |
O5 | 0.0323 (9) | 0.0417 (9) | 0.0469 (10) | −0.0154 (7) | −0.0105 (7) | 0.0129 (8) |
Si5 | 0.0338 (3) | 0.0310 (3) | 0.0484 (4) | −0.0079 (3) | −0.0036 (3) | 0.0117 (3) |
C1M | 0.0214 (13) | 0.0259 (14) | 0.0415 (13) | −0.0047 (11) | −0.0093 (10) | 0.0048 (11) |
C2M | 0.038 (3) | 0.046 (3) | 0.046 (3) | −0.012 (3) | −0.012 (3) | 0.010 (2) |
C3M | 0.052 (5) | 0.052 (4) | 0.037 (3) | −0.007 (3) | −0.006 (3) | 0.006 (3) |
C4M | 0.048 (4) | 0.057 (5) | 0.039 (3) | −0.008 (4) | 0.007 (3) | 0.010 (3) |
C5M | 0.075 (4) | 0.053 (4) | 0.057 (4) | −0.041 (3) | 0.009 (3) | −0.002 (3) |
C6M | 0.058 (4) | 0.052 (3) | 0.045 (3) | −0.030 (3) | −0.003 (3) | −0.001 (2) |
C1MM | 0.0214 (13) | 0.0259 (14) | 0.0415 (13) | −0.0047 (11) | −0.0093 (10) | 0.0048 (11) |
C2MM | 0.036 (3) | 0.021 (2) | 0.050 (3) | −0.010 (2) | 0.005 (3) | 0.000 (2) |
C3MM | 0.056 (5) | 0.024 (3) | 0.051 (4) | −0.018 (3) | 0.009 (3) | 0.000 (2) |
C4MM | 0.027 (3) | 0.030 (3) | 0.049 (3) | −0.010 (3) | −0.003 (2) | 0.012 (2) |
C5MM | 0.027 (2) | 0.022 (2) | 0.048 (3) | −0.0115 (17) | −0.0156 (19) | 0.0047 (18) |
C6MM | 0.023 (2) | 0.027 (2) | 0.040 (2) | −0.0095 (17) | −0.0136 (18) | 0.0028 (18) |
C1N | 0.0334 (18) | 0.0329 (18) | 0.056 (2) | −0.0113 (15) | −0.0115 (17) | 0.0082 (16) |
C2N | 0.038 (3) | 0.034 (2) | 0.042 (3) | −0.016 (2) | −0.006 (2) | 0.006 (2) |
C3N | 0.049 (3) | 0.043 (3) | 0.041 (3) | −0.027 (2) | −0.003 (2) | 0.000 (2) |
C4N | 0.047 (3) | 0.036 (3) | 0.080 (4) | −0.022 (3) | 0.001 (3) | −0.017 (3) |
C5N | 0.033 (4) | 0.033 (3) | 0.106 (6) | −0.008 (3) | −0.017 (4) | −0.003 (4) |
C6N | 0.031 (3) | 0.023 (3) | 0.089 (5) | −0.004 (2) | −0.013 (3) | −0.009 (3) |
C1NN | 0.0334 (18) | 0.0329 (18) | 0.056 (2) | −0.0113 (15) | −0.0115 (17) | 0.0082 (16) |
C2NN | 0.040 (3) | 0.043 (3) | 0.052 (3) | −0.015 (2) | −0.018 (2) | 0.013 (2) |
C3NN | 0.043 (3) | 0.046 (3) | 0.053 (3) | −0.027 (3) | −0.017 (3) | 0.016 (3) |
C4NN | 0.062 (4) | 0.045 (3) | 0.057 (4) | −0.017 (3) | −0.020 (3) | 0.008 (3) |
C5NN | 0.090 (7) | 0.044 (4) | 0.070 (5) | −0.007 (4) | −0.036 (5) | 0.000 (4) |
C6NN | 0.072 (5) | 0.046 (4) | 0.076 (5) | −0.021 (3) | −0.032 (4) | 0.005 (3) |
C1O | 0.0328 (15) | 0.032 (2) | 0.0418 (19) | −0.004 (2) | −0.0074 (14) | 0.013 (2) |
C2O | 0.030 (2) | 0.048 (3) | 0.038 (2) | −0.016 (2) | −0.0090 (19) | 0.015 (2) |
C3O | 0.041 (3) | 0.046 (3) | 0.036 (2) | −0.018 (2) | −0.007 (2) | 0.011 (2) |
C4O | 0.045 (3) | 0.053 (3) | 0.036 (3) | −0.023 (2) | −0.017 (2) | 0.012 (2) |
C5O | 0.036 (3) | 0.036 (3) | 0.056 (4) | −0.012 (2) | −0.026 (3) | 0.023 (3) |
C6O | 0.034 (3) | 0.046 (3) | 0.043 (3) | −0.016 (2) | −0.015 (2) | 0.008 (2) |
C1OO | 0.0328 (15) | 0.032 (2) | 0.0418 (19) | −0.004 (2) | −0.0074 (14) | 0.013 (2) |
C2OO | 0.041 (3) | 0.041 (3) | 0.056 (3) | 0.001 (2) | −0.011 (2) | 0.004 (2) |
C3OO | 0.069 (4) | 0.042 (3) | 0.053 (3) | 0.004 (3) | −0.019 (3) | 0.010 (3) |
C4OO | 0.094 (6) | 0.052 (4) | 0.094 (6) | −0.023 (4) | −0.064 (5) | 0.017 (4) |
C5OO | 0.088 (6) | 0.061 (5) | 0.117 (8) | −0.038 (4) | −0.070 (6) | 0.050 (5) |
C6OO | 0.049 (3) | 0.047 (3) | 0.079 (4) | −0.022 (3) | −0.033 (3) | 0.021 (3) |
O6 | 0.0296 (8) | 0.0317 (8) | 0.0400 (9) | −0.0112 (6) | −0.0139 (7) | 0.0035 (7) |
Si6 | 0.0251 (3) | 0.0344 (3) | 0.0250 (3) | −0.0132 (2) | −0.0077 (2) | 0.0047 (2) |
C1P | 0.0301 (11) | 0.0309 (11) | 0.0337 (11) | −0.0173 (9) | −0.0117 (9) | 0.0051 (9) |
C2P | 0.0318 (11) | 0.0311 (11) | 0.0396 (12) | −0.0157 (9) | −0.0085 (9) | 0.0062 (9) |
C3P | 0.0316 (12) | 0.0319 (12) | 0.0533 (15) | −0.0147 (10) | −0.0078 (11) | 0.0036 (11) |
C4P | 0.0362 (13) | 0.0277 (12) | 0.0643 (17) | −0.0139 (10) | −0.0204 (12) | 0.0085 (11) |
C5P | 0.0461 (14) | 0.0350 (12) | 0.0470 (14) | −0.0210 (11) | −0.0228 (11) | 0.0141 (11) |
C6P | 0.0358 (12) | 0.0361 (12) | 0.0361 (12) | −0.0194 (10) | −0.0135 (10) | 0.0084 (9) |
C1R | 0.0270 (11) | 0.0567 (15) | 0.0257 (11) | −0.0085 (10) | −0.0088 (9) | 0.0086 (10) |
C2R | 0.0351 (14) | 0.098 (2) | 0.0300 (12) | −0.0310 (15) | −0.0087 (10) | 0.0201 (14) |
C3R | 0.0334 (15) | 0.163 (4) | 0.0445 (17) | −0.036 (2) | −0.0075 (13) | 0.041 (2) |
C4R | 0.0305 (15) | 0.165 (4) | 0.0312 (15) | 0.0037 (19) | 0.0019 (12) | 0.032 (2) |
C5R | 0.0422 (17) | 0.115 (3) | 0.0243 (13) | 0.0198 (17) | −0.0095 (11) | 0.0023 (15) |
C6R | 0.0348 (13) | 0.0686 (19) | 0.0278 (12) | 0.0043 (12) | −0.0129 (10) | 0.0017 (12) |
C1S | 0.0327 (11) | 0.0400 (12) | 0.0243 (10) | −0.0224 (10) | −0.0077 (8) | 0.0096 (9) |
C2S | 0.0403 (13) | 0.0365 (12) | 0.0296 (11) | −0.0232 (10) | −0.0082 (9) | 0.0084 (9) |
C3S | 0.0584 (16) | 0.0428 (14) | 0.0305 (12) | −0.0314 (12) | −0.0114 (11) | 0.0066 (10) |
C4S | 0.0662 (18) | 0.0550 (16) | 0.0314 (12) | −0.0378 (14) | −0.0216 (12) | 0.0112 (11) |
C5S | 0.0461 (15) | 0.0592 (17) | 0.0386 (13) | −0.0267 (13) | −0.0228 (11) | 0.0159 (12) |
C6S | 0.0346 (12) | 0.0465 (14) | 0.0304 (11) | −0.0191 (11) | −0.0115 (9) | 0.0093 (10) |
Geometric parameters (Å, º) top
O1W—K4 | 2.746 (2) | Si3—C1G | 1.884 (2) |
O1W—K1 | 2.763 (2) | Si3—C1H | 1.887 (3) |
O1W—K6 | 2.851 (2) | Si3—C1I | 1.893 (2) |
O1W—K21 | 3.258 (4) | C1G—C6G | 1.389 (3) |
O1W—K5 | 3.258 (2) | C1G—C2G | 1.401 (3) |
O1W—K61 | 3.280 (3) | C2G—C3G | 1.385 (3) |
O1W—H1W1 | 0.8400 | C2G—H2G | 0.9500 |
O1W—H1W2 | 0.8400 | C3G—C4G | 1.378 (4) |
O2W—K3 | 2.684 (4) | C3G—H3G | 0.9500 |
O2W—K6 | 2.888 (4) | C4G—C5G | 1.373 (4) |
O2W—K2 | 2.907 (4) | C4G—H4G | 0.9500 |
O2W—H2W1 | 0.8400 | C5G—C6G | 1.389 (4) |
O2W—H2W2 | 0.8400 | C5G—H5G | 0.9500 |
O3W—K61 | 2.796 (5) | C6G—H6G | 0.9500 |
O3W—K21 | 2.906 (5) | C1H—C2H | 1.392 (4) |
O3W—K3 | 2.958 (5) | C1H—C6H | 1.395 (4) |
O3W—H3W1 | 0.8400 | C2H—C3H | 1.395 (5) |
O3W—H3W2 | 0.8400 | C2H—H2H | 0.9500 |
K1—O2 | 2.5857 (19) | C3H—C4H | 1.366 (7) |
K1—O1 | 2.6305 (18) | C3H—H3H | 0.9500 |
K1—C2OO | 3.032 (4) | C4H—C5H | 1.381 (6) |
K1—O5 | 3.063 (2) | C4H—H4H | 0.9500 |
K1—C2O | 3.161 (3) | C5H—C6H | 1.391 (5) |
K1—C2A | 3.345 (3) | C5H—H5H | 0.9500 |
K1—K21 | 3.4843 (17) | C6H—H6H | 0.9500 |
K1—C1O | 3.529 (4) | C1I—C6I | 1.390 (3) |
K1—Si1 | 3.6902 (10) | C1I—C2I | 1.397 (3) |
K1—K2 | 3.7699 (15) | C2I—C3I | 1.383 (3) |
K1—Si2 | 3.8132 (13) | C2I—H2I | 0.9500 |
K1—H1W2 | 2.5030 | C3I—C4I | 1.379 (3) |
K2—O2 | 2.5692 (18) | C3I—H3I | 0.9500 |
K2—O4 | 2.754 (2) | C4I—C5I | 1.372 (4) |
K2—O1 | 2.770 (2) | C4I—H4I | 0.9500 |
K2—C2J | 3.133 (3) | C5I—C6I | 1.385 (4) |
K2—C2D | 3.284 (3) | C5I—H5I | 0.9500 |
K2—Si2 | 3.5819 (13) | C6I—H6I | 0.9500 |
K2—Si4 | 3.6847 (14) | O4—Si4 | 1.5839 (18) |
K2—K4 | 3.6993 (14) | Si4—C1K | 1.873 (3) |
K2—K6 | 4.0004 (17) | Si4—C1J | 1.887 (2) |
K2—K3 | 4.791 (2) | Si4—C1L | 1.900 (3) |
K2—H2W1 | 2.6714 | C1J—C2J | 1.377 (4) |
K21—O4 | 2.495 (2) | C1J—C6J | 1.392 (4) |
K21—O1 | 2.548 (2) | C2J—C3J | 1.393 (4) |
K21—O2 | 2.664 (2) | C2J—H2J | 0.9500 |
K21—K4 | 3.4334 (16) | C3J—C4J | 1.357 (5) |
K21—Si4 | 3.6083 (16) | C3J—H3J | 0.9500 |
K21—K61 | 3.756 (2) | C4J—C5J | 1.376 (6) |
K21—Si2 | 3.923 (2) | C4J—H4J | 0.9500 |
K21—K3 | 4.186 (3) | C5J—C6J | 1.384 (5) |
K3—O5 | 2.6143 (18) | C5J—H5J | 0.9500 |
K3—O3 | 2.6735 (18) | C6J—H6J | 0.9500 |
K3—O1 | 2.9621 (19) | C1K—C6K | 1.395 (4) |
K3—C1B | 3.174 (2) | C1K—C2K | 1.410 (4) |
K3—C6B | 3.215 (3) | C2K—C3K | 1.391 (4) |
K3—C2B | 3.448 (3) | C2K—H2K | 0.9500 |
K3—C5B | 3.531 (3) | C3K—C4K | 1.407 (6) |
K3—Si1 | 3.7215 (11) | C3K—H3K | 0.9500 |
K3—K6 | 3.844 (2) | C4K—C5K | 1.391 (6) |
K3—K5 | 3.8799 (11) | C4K—H4K | 0.9500 |
K3—H1W2 | 3.0751 | C5K—C6K | 1.381 (4) |
K3—H2W1 | 2.4314 | C5K—H5K | 0.9500 |
K3—H2W2 | 3.0746 | C6K—H6K | 0.9500 |
K3—H3W2 | 2.5565 | C1L—C6L | 1.354 (4) |
K4—O2 | 2.6025 (17) | C1L—C2L | 1.388 (4) |
K4—O4 | 2.6139 (16) | C2L—C3L | 1.375 (7) |
K4—C1S | 3.191 (2) | C2L—H2L | 0.9500 |
K4—C2S | 3.246 (2) | C3L—C4L | 1.338 (8) |
K4—C2F | 3.259 (3) | C3L—H3L | 0.9500 |
K4—C6S | 3.277 (2) | C4L—C5L | 1.345 (7) |
K4—C3S | 3.376 (2) | C4L—H4L | 0.9500 |
K4—C5S | 3.428 (3) | C5L—C6L | 1.392 (4) |
K4—C1F | 3.449 (2) | C5L—H5L | 0.9500 |
K4—C4S | 3.467 (3) | C6L—H6L | 0.9500 |
K4—H1W1 | 2.7702 | O5—Si5 | 1.5904 (18) |
K5—O6 | 2.6192 (18) | Si5—C1OO | 1.794 (3) |
K5—O3 | 2.701 (2) | Si5—C3NN | 1.900 (3) |
K5—O5 | 2.8798 (19) | Si5—C1M | 1.909 (3) |
K5—C2M | 3.055 (4) | Si5—C1MM | 1.928 (3) |
K5—C6MM | 3.083 (3) | Si5—C1N | 1.998 (2) |
K5—C1MM | 3.114 (4) | Si5—C1O | 2.079 (2) |
K5—C1H | 3.212 (3) | C1M—C2M | 1.3900 |
K5—C1M | 3.313 (4) | C1M—C6M | 1.3900 |
K5—C2H | 3.404 (3) | C2M—C3M | 1.3900 |
K5—Si3 | 3.4766 (8) | C2M—H2M | 0.9500 |
K5—C6R | 3.530 (3) | C3M—C4M | 1.3900 |
K5—H1W1 | 2.8720 | C3M—H3M | 0.9500 |
K5—H1W2 | 2.9715 | C4M—C5M | 1.3900 |
K6—O3 | 2.537 (3) | C4M—H4M | 0.9500 |
K6—O6 | 2.7205 (19) | C5M—C6M | 1.3900 |
K6—O4 | 2.798 (2) | C5M—H5M | 0.9500 |
K6—C2L | 3.356 (6) | C6M—H6M | 0.9500 |
K6—C1L | 3.381 (3) | C1MM—C2MM | 1.3900 |
K6—C2I | 3.406 (3) | C1MM—C6MM | 1.3900 |
K6—Si3 | 3.6486 (14) | C2MM—C3MM | 1.3900 |
K6—Si4 | 3.6855 (19) | C2MM—H2MM | 0.9500 |
K6—H1W1 | 2.6328 | C3MM—C4MM | 1.3900 |
K61—O6 | 2.618 (2) | C3MM—H3MM | 0.9500 |
K61—O4 | 2.670 (2) | C4MM—C5MM | 1.3900 |
K61—C1L | 2.988 (3) | C4MM—H4MM | 0.9500 |
K61—O3 | 3.046 (3) | C5MM—C6MM | 1.3900 |
K61—C2I | 3.089 (3) | C5MM—H5MM | 0.9500 |
K61—C2L | 3.228 (6) | C6MM—H6MM | 0.9500 |
K61—Si4 | 3.3660 (18) | C1N—C2N | 1.3900 |
K61—C6L | 3.372 (4) | C1N—C6N | 1.3900 |
K61—C2P | 3.546 (3) | C2N—C3N | 1.3900 |
K61—Si6 | 3.7509 (16) | C2N—H2N | 0.9500 |
K61—H1W1 | 2.9159 | C3N—C4N | 1.3900 |
K61—H3W2 | 2.7520 | C3N—H3N | 0.9500 |
O1—Si1 | 1.5864 (16) | C4N—C5N | 1.3900 |
Si1—C1A | 1.885 (2) | C4N—H4N | 0.9500 |
Si1—C1C | 1.887 (2) | C5N—C6N | 1.3900 |
Si1—C1B | 1.892 (2) | C5N—H5N | 0.9500 |
C1A—C6A | 1.398 (3) | C6N—H6N | 0.9500 |
C1A—C2A | 1.401 (3) | C1NN—C2NN | 1.3900 |
C2A—C3A | 1.385 (4) | C1NN—C6NN | 1.3900 |
C2A—H2A | 0.9500 | C2NN—C3NN | 1.3900 |
C3A—C4A | 1.380 (5) | C2NN—H2NN | 0.9500 |
C3A—H3A | 0.9500 | C3NN—C4NN | 1.3900 |
C4A—C5A | 1.378 (4) | C3NN—H3NN | 0.9500 |
C4A—H4A | 0.9500 | C4NN—C5NN | 1.3900 |
C5A—C6A | 1.393 (4) | C4NN—H4NN | 0.9500 |
C5A—H5A | 0.9500 | C5NN—C6NN | 1.3900 |
C6A—H6A | 0.9500 | C5NN—H5NN | 0.9500 |
C1B—C2B | 1.398 (4) | C6NN—H6NN | 0.9500 |
C1B—C6B | 1.404 (4) | C1O—C2O | 1.3900 |
C2B—C3B | 1.414 (4) | C1O—C6O | 1.3900 |
C2B—H2B | 0.9500 | C2O—C3O | 1.3900 |
C3B—C4B | 1.370 (5) | C2O—H2O | 0.9500 |
C3B—H3B | 0.9500 | C3O—C4O | 1.3900 |
C4B—C5B | 1.363 (5) | C3O—H3O | 0.9500 |
C4B—H4B | 0.9500 | C4O—C5O | 1.3900 |
C5B—C6B | 1.393 (4) | C4O—H4O | 0.9500 |
C5B—H5B | 0.9500 | C5O—C6O | 1.3900 |
C6B—H6B | 0.9500 | C5O—H5O | 0.9500 |
C1C—C6C | 1.389 (3) | C6O—H6O | 0.9500 |
C1C—C2C | 1.392 (3) | C1OO—C2OO | 1.3900 |
C2C—C3C | 1.389 (4) | C1OO—C6OO | 1.3900 |
C2C—H2C | 0.9500 | C2OO—C3OO | 1.3900 |
C3C—C4C | 1.375 (4) | C2OO—H2OO | 0.9500 |
C3C—H3C | 0.9500 | C3OO—C4OO | 1.3900 |
C4C—C5C | 1.374 (4) | C3OO—H3OO | 0.9500 |
C4C—H4C | 0.9500 | C4OO—C5OO | 1.3900 |
C5C—C6C | 1.386 (4) | C4OO—H4OO | 0.9500 |
C5C—H5C | 0.9500 | C5OO—C6OO | 1.3900 |
C6C—H6C | 0.9500 | C5OO—H5OO | 0.9500 |
O2—Si2 | 1.5880 (16) | C6OO—H6OO | 0.9500 |
Si2—C1E | 1.888 (2) | O6—Si6 | 1.5922 (16) |
Si2—C1D | 1.891 (2) | Si6—C1R | 1.885 (2) |
Si2—C1F | 1.899 (2) | Si6—C1P | 1.889 (2) |
C1D—C6D | 1.397 (3) | Si6—C1S | 1.893 (2) |
C1D—C2D | 1.400 (3) | C1P—C2P | 1.400 (3) |
C2D—C3D | 1.387 (3) | C1P—C6P | 1.401 (3) |
C2D—H2D | 0.9500 | C2P—C3P | 1.388 (3) |
C3D—C4D | 1.387 (4) | C2P—H2P | 0.9500 |
C3D—H3D | 0.9500 | C3P—C4P | 1.387 (4) |
C4D—C5D | 1.380 (4) | C3P—H3P | 0.9500 |
C4D—H4D | 0.9500 | C4P—C5P | 1.383 (4) |
C5D—C6D | 1.394 (3) | C4P—H4P | 0.9500 |
C5D—H5D | 0.9500 | C5P—C6P | 1.391 (4) |
C6D—H6D | 0.9500 | C5P—H5P | 0.9500 |
C1E—C6E | 1.391 (4) | C6P—H6P | 0.9500 |
C1E—C2E | 1.399 (3) | C1R—C2R | 1.399 (4) |
C2E—C3E | 1.390 (4) | C1R—C6R | 1.400 (4) |
C2E—H2E | 0.9500 | C2R—C3R | 1.393 (4) |
C3E—C4E | 1.376 (5) | C2R—H2R | 0.9500 |
C3E—H3E | 0.9500 | C3R—C4R | 1.380 (6) |
C4E—C5E | 1.390 (5) | C3R—H3R | 0.9500 |
C4E—H4E | 0.9500 | C4R—C5R | 1.379 (6) |
C5E—C6E | 1.380 (4) | C4R—H4R | 0.9500 |
C5E—H5E | 0.9500 | C5R—C6R | 1.390 (4) |
C6E—H6E | 0.9500 | C5R—H5R | 0.9500 |
C1F—C2F | 1.400 (3) | C6R—H6R | 0.9500 |
C1F—C6F | 1.401 (3) | C1S—C2S | 1.397 (3) |
C2F—C3F | 1.387 (4) | C1S—C6S | 1.408 (3) |
C2F—H2F | 0.9500 | C2S—C3S | 1.392 (3) |
C3F—C4F | 1.386 (4) | C2S—H2S | 0.9500 |
C3F—H3F | 0.9500 | C3S—C4S | 1.378 (4) |
C4F—C5F | 1.378 (4) | C3S—H3S | 0.9500 |
C4F—H4F | 0.9500 | C4S—C5S | 1.386 (4) |
C5F—C6F | 1.396 (3) | C4S—H4S | 0.9500 |
C5F—H5F | 0.9500 | C5S—C6S | 1.394 (3) |
C6F—H6F | 0.9500 | C5S—H5S | 0.9500 |
O3—Si3 | 1.5865 (17) | C6S—H6S | 0.9500 |
| | | |
K4—O1W—K1 | 91.68 (6) | C2L—K61—H1W1 | 141.3 |
K4—O1W—K6 | 91.54 (8) | O1W—K61—H1W1 | 14.1 |
K1—O1W—K6 | 130.96 (9) | Si4—K61—H1W1 | 107.8 |
K4—O1W—K21 | 69.15 (6) | C6L—K61—H1W1 | 154.9 |
K1—O1W—K21 | 70.17 (6) | C2P—K61—H1W1 | 93.3 |
K4—O1W—K5 | 138.60 (7) | Si6—K61—H1W1 | 52.2 |
K1—O1W—K5 | 126.38 (8) | O6—K61—H3W2 | 111.6 |
K6—O1W—K5 | 76.02 (5) | O4—K61—H3W2 | 102.5 |
K21—O1W—K5 | 133.80 (7) | O3W—K61—H3W2 | 17.4 |
K4—O1W—K61 | 83.15 (7) | C1L—K61—H3W2 | 97.8 |
K1—O1W—K61 | 139.10 (9) | O3—K61—H3W2 | 39.3 |
K21—O1W—K61 | 70.11 (6) | C2I—K61—H3W2 | 94.8 |
K5—O1W—K61 | 77.48 (5) | C2L—K61—H3W2 | 72.7 |
K4—O1W—H1W1 | 82.9 | O1W—K61—H3W2 | 77.9 |
K1—O1W—H1W1 | 162.0 | Si4—K61—H3W2 | 107.8 |
K6—O1W—H1W1 | 66.6 | C6L—K61—H3W2 | 110.0 |
K21—O1W—H1W1 | 122.8 | C2P—K61—H3W2 | 173.0 |
K5—O1W—H1W1 | 55.9 | Si6—K61—H3W2 | 132.1 |
K61—O1W—H1W1 | 57.5 | H1W1—K61—H3W2 | 88.5 |
K4—O1W—H1W2 | 150.8 | Si1—O1—K21 | 144.31 (12) |
K1—O1W—H1W2 | 63.5 | Si1—O1—K1 | 120.06 (9) |
K6—O1W—H1W2 | 115.9 | K21—O1—K1 | 84.55 (6) |
K21—O1W—H1W2 | 112.0 | Si1—O1—K2 | 130.82 (10) |
K5—O1W—H1W2 | 62.9 | K1—O1—K2 | 88.51 (5) |
K61—O1W—H1W2 | 125.4 | Si1—O1—K3 | 105.80 (8) |
H1W1—O1W—H1W2 | 115.9 | K21—O1—K3 | 98.60 (9) |
K3—O2W—K6 | 87.15 (11) | K1—O1—K3 | 90.90 (6) |
K3—O2W—K2 | 117.89 (13) | K2—O1—K3 | 113.35 (7) |
K6—O2W—K2 | 87.32 (10) | O1—Si1—C1A | 113.33 (10) |
K3—O2W—H2W1 | 63.7 | O1—Si1—C1C | 112.24 (10) |
K6—O2W—H2W1 | 118.5 | C1A—Si1—C1C | 105.79 (10) |
K2—O2W—H2W1 | 65.6 | O1—Si1—C1B | 108.32 (9) |
K3—O2W—H2W2 | 110.0 | C1A—Si1—C1B | 108.57 (11) |
K6—O2W—H2W2 | 124.8 | C1C—Si1—C1B | 108.45 (11) |
K2—O2W—H2W2 | 123.1 | O1—Si1—K1 | 38.09 (7) |
H2W1—O2W—H2W2 | 116.0 | C1A—Si1—K1 | 76.38 (7) |
K61—O3W—K21 | 82.36 (12) | C1C—Si1—K1 | 134.45 (8) |
K61—O3W—K3 | 105.82 (15) | C1B—Si1—K1 | 113.81 (8) |
K21—O3W—K3 | 91.09 (14) | O1—Si1—K3 | 49.98 (7) |
K61—O3W—H3W1 | 108.8 | C1A—Si1—K3 | 123.92 (7) |
K21—O3W—H3W1 | 109.8 | C1C—Si1—K3 | 130.29 (7) |
K3—O3W—H3W1 | 141.4 | C1B—Si1—K3 | 58.51 (7) |
K61—O3W—H3W2 | 78.3 | K1—Si1—K3 | 65.18 (2) |
K21—O3W—H3W2 | 132.1 | C6A—C1A—C2A | 116.9 (2) |
K3—O3W—H3W2 | 54.0 | C6A—C1A—Si1 | 123.23 (19) |
H3W1—O3W—H3W2 | 117.8 | C2A—C1A—Si1 | 119.82 (18) |
O2—K1—O1 | 87.39 (5) | C3A—C2A—C1A | 121.8 (3) |
O2—K1—O1W | 81.19 (6) | C3A—C2A—K1 | 121.9 (2) |
O1—K1—O1W | 89.67 (6) | C1A—C2A—K1 | 94.52 (16) |
O2—K1—C2OO | 150.66 (8) | C3A—C2A—H2A | 119.1 |
O1—K1—C2OO | 116.91 (8) | C1A—C2A—H2A | 119.1 |
O1W—K1—C2OO | 113.15 (8) | K1—C2A—H2A | 51.4 |
O2—K1—O5 | 134.52 (5) | C4A—C3A—C2A | 120.1 (3) |
O1—K1—O5 | 88.59 (5) | C4A—C3A—H3A | 120.0 |
O1W—K1—O5 | 53.49 (6) | C2A—C3A—H3A | 120.0 |
C2OO—K1—O5 | 66.38 (8) | C5A—C4A—C3A | 119.7 (3) |
O2—K1—C2O | 115.36 (7) | C5A—C4A—H4A | 120.2 |
O1—K1—C2O | 152.64 (7) | C3A—C4A—H4A | 120.2 |
O1W—K1—C2O | 79.71 (7) | C4A—C5A—C6A | 120.2 (3) |
O5—K1—C2O | 64.79 (7) | C4A—C5A—H5A | 119.9 |
O2—K1—C2A | 92.21 (6) | C6A—C5A—H5A | 119.9 |
O1—K1—C2A | 66.33 (6) | C5A—C6A—C1A | 121.4 (3) |
O1W—K1—C2A | 155.46 (7) | C5A—C6A—H6A | 119.3 |
C2OO—K1—C2A | 83.83 (8) | C1A—C6A—H6A | 119.3 |
O5—K1—C2A | 126.85 (6) | C2B—C1B—C6B | 116.6 (2) |
C2O—K1—C2A | 124.01 (7) | C2B—C1B—Si1 | 121.4 (2) |
O2—K1—K21 | 49.39 (5) | C6B—C1B—Si1 | 120.85 (19) |
O1—K1—K21 | 46.73 (4) | C2B—C1B—K3 | 89.11 (14) |
O1W—K1—K21 | 61.60 (7) | C6B—C1B—K3 | 78.96 (14) |
O5—K1—K21 | 98.52 (6) | Si1—C1B—K3 | 90.93 (8) |
C2A—K1—K21 | 96.24 (6) | C1B—C2B—C3B | 120.9 (3) |
O2—K1—C1O | 138.46 (6) | C1B—C2B—K3 | 66.98 (13) |
O1—K1—C1O | 132.64 (6) | C3B—C2B—K3 | 90.58 (17) |
O1W—K1—C1O | 87.55 (7) | C1B—C2B—H2B | 119.6 |
O5—K1—C1O | 53.07 (5) | C3B—C2B—H2B | 119.6 |
C2O—K1—C1O | 23.2 | K3—C2B—H2B | 112.7 |
C2A—K1—C1O | 112.07 (7) | C4B—C3B—C2B | 120.0 (3) |
O2—K1—Si1 | 98.57 (4) | C4B—C3B—H3B | 120.0 |
O1—K1—Si1 | 21.84 (4) | C2B—C3B—H3B | 120.0 |
O1W—K1—Si1 | 109.82 (5) | C5B—C4B—C3B | 120.6 (3) |
C2OO—K1—Si1 | 99.95 (7) | C5B—C4B—H4B | 119.7 |
O5—K1—Si1 | 93.97 (4) | C3B—C4B—H4B | 119.7 |
C2O—K1—Si1 | 145.94 (6) | C4B—C5B—C6B | 119.8 (3) |
C2A—K1—Si1 | 47.53 (5) | C4B—C5B—K3 | 89.3 (2) |
K21—K1—Si1 | 66.68 (3) | C6B—C5B—K3 | 65.57 (16) |
C1O—K1—Si1 | 122.80 (5) | C4B—C5B—H5B | 120.1 |
O2—K1—K2 | 42.83 (4) | C6B—C5B—H5B | 120.1 |
O1—K1—K2 | 47.26 (4) | K3—C5B—H5B | 115.1 |
O1W—K1—K2 | 71.26 (6) | C5B—C6B—C1B | 122.2 (3) |
O5—K1—K2 | 109.07 (5) | C5B—C6B—K3 | 91.19 (18) |
C2A—K1—K2 | 87.80 (6) | C1B—C6B—K3 | 75.67 (14) |
Si1—K1—K2 | 64.69 (2) | C5B—C6B—H6B | 118.9 |
O2—K1—Si2 | 18.46 (4) | C1B—C6B—H6B | 118.9 |
O1—K1—Si2 | 94.61 (4) | K3—C6B—H6B | 103.6 |
O1W—K1—Si2 | 98.21 (5) | C6C—C1C—C2C | 116.0 (2) |
C2OO—K1—Si2 | 134.34 (8) | C6C—C1C—Si1 | 121.86 (18) |
O5—K1—Si2 | 151.55 (4) | C2C—C1C—Si1 | 122.09 (18) |
C2O—K1—Si2 | 111.74 (6) | C3C—C2C—C1C | 122.2 (2) |
C2A—K1—Si2 | 79.64 (5) | C3C—C2C—H2C | 118.9 |
K21—K1—Si2 | 64.85 (5) | C1C—C2C—H2C | 118.9 |
C1O—K1—Si2 | 132.56 (5) | C4C—C3C—C2C | 120.0 (2) |
Si1—K1—Si2 | 99.45 (2) | C4C—C3C—H3C | 120.0 |
K2—K1—Si2 | 56.37 (3) | C2C—C3C—H3C | 120.0 |
O2—K1—H1W2 | 98.6 | C5C—C4C—C3C | 119.3 (2) |
O1—K1—H1W2 | 89.6 | C5C—C4C—H4C | 120.4 |
O1W—K1—H1W2 | 17.5 | C3C—C4C—H4C | 120.4 |
C2OO—K1—H1W2 | 97.8 | C4C—C5C—C6C | 120.2 (3) |
O5—K1—H1W2 | 36.0 | C4C—C5C—H5C | 119.9 |
C2O—K1—H1W2 | 72.8 | C6C—C5C—H5C | 119.9 |
C2A—K1—H1W2 | 153.1 | C5C—C6C—C1C | 122.3 (3) |
K21—K1—H1W2 | 73.2 | C5C—C6C—H6C | 118.9 |
C1O—K1—H1W2 | 74.9 | C1C—C6C—H6C | 118.9 |
Si1—K1—H1W2 | 106.2 | Si2—O2—K2 | 117.02 (9) |
K2—K1—H1W2 | 83.8 | Si2—O2—K1 | 130.50 (9) |
Si2—K1—H1W2 | 115.6 | K2—O2—K1 | 93.99 (6) |
O2—K2—O4 | 88.61 (6) | Si2—O2—K4 | 116.30 (9) |
O2—K2—O1 | 84.81 (6) | K2—O2—K4 | 91.33 (6) |
O4—K2—O1 | 126.85 (9) | K1—O2—K4 | 99.23 (6) |
O2—K2—O2W | 124.11 (10) | Si2—O2—K21 | 132.97 (11) |
O4—K2—O2W | 87.65 (8) | K1—O2—K21 | 83.15 (7) |
O1—K2—O2W | 55.13 (9) | K4—O2—K21 | 81.36 (6) |
O2—K2—C2J | 108.08 (7) | O2—Si2—C1E | 111.48 (10) |
O4—K2—C2J | 68.53 (6) | O2—Si2—C1D | 113.13 (9) |
O1—K2—C2J | 161.16 (8) | C1E—Si2—C1D | 105.61 (10) |
O2W—K2—C2J | 121.85 (9) | O2—Si2—C1F | 110.45 (9) |
O2—K2—C2D | 68.49 (6) | C1E—Si2—C1F | 107.27 (10) |
O4—K2—C2D | 134.30 (7) | C1D—Si2—C1F | 108.63 (10) |
O1—K2—C2D | 91.15 (7) | O2—Si2—K2 | 39.72 (7) |
O2W—K2—C2D | 138.03 (8) | C1E—Si2—K2 | 134.37 (8) |
C2J—K2—C2D | 81.38 (8) | C1D—Si2—K2 | 74.73 (7) |
O2—K2—Si2 | 23.26 (4) | C1F—Si2—K2 | 115.85 (7) |
O4—K2—Si2 | 96.50 (4) | O2—Si2—K4 | 40.40 (6) |
O1—K2—Si2 | 97.45 (5) | C1E—Si2—K4 | 124.87 (8) |
O2W—K2—Si2 | 146.00 (9) | C1D—Si2—K4 | 128.01 (7) |
C2J—K2—Si2 | 90.66 (6) | C1F—Si2—K4 | 70.04 (7) |
C2D—K2—Si2 | 48.93 (5) | K2—Si2—K4 | 62.01 (3) |
O2—K2—Si4 | 106.07 (5) | O2—Si2—K1 | 31.04 (6) |
O4—K2—Si4 | 23.21 (4) | C1E—Si2—K1 | 81.05 (7) |
O1—K2—Si4 | 141.82 (7) | C1D—Si2—K1 | 118.27 (8) |
O2W—K2—Si4 | 90.35 (7) | C1F—Si2—K1 | 128.14 (7) |
C2J—K2—Si4 | 49.00 (5) | K2—Si2—K1 | 61.20 (3) |
C2D—K2—Si4 | 126.99 (7) | K4—Si2—K1 | 64.360 (19) |
Si2—K2—Si4 | 106.54 (3) | O2—Si2—K21 | 29.80 (7) |
O2—K2—K4 | 44.70 (4) | C1E—Si2—K21 | 131.23 (8) |
O4—K2—K4 | 44.89 (4) | C1D—Si2—K21 | 84.72 (8) |
O1—K2—K4 | 104.47 (6) | C1F—Si2—K21 | 114.21 (7) |
O2W—K2—K4 | 104.74 (8) | K4—Si2—K21 | 54.11 (4) |
C2J—K2—K4 | 94.29 (5) | K1—Si2—K21 | 53.52 (4) |
C2D—K2—K4 | 107.84 (5) | C6D—C1D—C2D | 117.0 (2) |
Si2—K2—K4 | 59.23 (2) | C6D—C1D—Si2 | 123.12 (18) |
Si4—K2—K4 | 65.76 (2) | C2D—C1D—Si2 | 119.72 (17) |
O2—K2—K1 | 43.17 (4) | C3D—C2D—C1D | 121.8 (2) |
O4—K2—K1 | 102.42 (6) | C3D—C2D—K2 | 123.37 (17) |
O1—K2—K1 | 44.23 (4) | C1D—C2D—K2 | 90.59 (14) |
O2W—K2—K1 | 83.69 (8) | C3D—C2D—H2D | 119.1 |
C2J—K2—K1 | 151.13 (6) | C1D—C2D—H2D | 119.1 |
C2D—K2—K1 | 87.50 (5) | K2—C2D—H2D | 54.8 |
Si2—K2—K1 | 62.43 (2) | C2D—C3D—C4D | 119.9 (2) |
Si4—K2—K1 | 125.63 (5) | C2D—C3D—H3D | 120.1 |
K4—K2—K1 | 63.88 (3) | C4D—C3D—H3D | 120.1 |
O2—K2—K6 | 100.10 (6) | C5D—C4D—C3D | 119.8 (2) |
O4—K2—K6 | 44.35 (5) | C5D—C4D—H4D | 120.1 |
O1—K2—K6 | 85.19 (8) | C3D—C4D—H4D | 120.1 |
O2W—K2—K6 | 46.15 (7) | C4D—C5D—C6D | 120.0 (2) |
C2J—K2—K6 | 105.31 (6) | C4D—C5D—H5D | 120.0 |
C2D—K2—K6 | 168.33 (6) | C6D—C5D—H5D | 120.0 |
Si2—K2—K6 | 120.53 (4) | C5D—C6D—C1D | 121.5 (2) |
Si4—K2—K6 | 57.14 (3) | C5D—C6D—H6D | 119.2 |
K4—K2—K6 | 62.65 (3) | C1D—C6D—H6D | 119.2 |
K1—K2—K6 | 82.14 (5) | C6E—C1E—C2E | 116.8 (2) |
O2—K2—K3 | 95.37 (6) | C6E—C1E—Si2 | 120.2 (2) |
O4—K2—K3 | 94.33 (6) | C2E—C1E—Si2 | 122.97 (18) |
O1—K2—K3 | 34.59 (4) | C3E—C2E—C1E | 121.9 (2) |
O2W—K2—K3 | 29.68 (7) | C3E—C2E—H2E | 119.0 |
C2J—K2—K3 | 150.02 (6) | C1E—C2E—H2E | 119.0 |
C2D—K2—K3 | 125.62 (5) | C4E—C3E—C2E | 119.6 (3) |
Si2—K2—K3 | 116.38 (3) | C4E—C3E—H3E | 120.2 |
Si4—K2—K3 | 107.25 (4) | C2E—C3E—H3E | 120.2 |
K4—K2—K3 | 89.39 (4) | C3E—C4E—C5E | 119.6 (3) |
K1—K2—K3 | 54.01 (3) | C3E—C4E—H4E | 120.2 |
K6—K2—K3 | 50.89 (5) | C5E—C4E—H4E | 120.2 |
O2—K2—H2W1 | 113.5 | C6E—C5E—C4E | 120.1 (3) |
O4—K2—H2W1 | 100.5 | C6E—C5E—H5E | 120.0 |
O1—K2—H2W1 | 38.5 | C4E—C5E—H5E | 120.0 |
O2W—K2—H2W1 | 16.6 | C5E—C6E—C1E | 121.8 (3) |
C2J—K2—H2W1 | 136.8 | C5E—C6E—H6E | 119.1 |
C2D—K2—H2W1 | 124.6 | C1E—C6E—H6E | 119.1 |
Si2—K2—H2W1 | 132.6 | C2F—C1F—C6F | 116.7 (2) |
Si4—K2—H2W1 | 106.3 | C2F—C1F—Si2 | 120.54 (17) |
K4—K2—H2W1 | 106.6 | C6F—C1F—Si2 | 122.59 (19) |
K1—K2—H2W1 | 70.8 | C2F—C1F—K4 | 70.44 (13) |
K6—K2—H2W1 | 56.6 | C6F—C1F—K4 | 117.57 (14) |
K3—K2—H2W1 | 19.2 | Si2—C1F—K4 | 78.79 (7) |
O4—K21—O1 | 156.78 (14) | C3F—C2F—C1F | 122.1 (2) |
O4—K21—O2 | 92.23 (7) | C3F—C2F—K4 | 109.92 (17) |
O1—K21—O2 | 87.44 (7) | C1F—C2F—K4 | 85.70 (15) |
O4—K21—O3W | 87.31 (11) | C3F—C2F—H2F | 118.9 |
O1—K21—O3W | 81.15 (13) | C1F—C2F—H2F | 118.9 |
O2—K21—O3W | 148.72 (14) | K4—C2F—H2F | 74.1 |
O4—K21—O1W | 77.09 (8) | C4F—C3F—C2F | 119.8 (3) |
O1—K21—O1W | 80.85 (9) | C4F—C3F—H3F | 120.1 |
O2—K21—O1W | 71.24 (6) | C2F—C3F—H3F | 120.1 |
O3W—K21—O1W | 78.20 (12) | C5F—C4F—C3F | 119.7 (2) |
O4—K21—K4 | 49.26 (5) | C5F—C4F—H4F | 120.2 |
O1—K21—K4 | 117.93 (7) | C3F—C4F—H4F | 120.2 |
O2—K21—K4 | 48.54 (4) | C4F—C5F—C6F | 120.3 (2) |
O3W—K21—K4 | 113.07 (12) | C4F—C5F—H5F | 119.9 |
O1W—K21—K4 | 48.37 (5) | C6F—C5F—H5F | 119.9 |
O4—K21—K1 | 117.01 (8) | C5F—C6F—C1F | 121.4 (2) |
O1—K21—K1 | 48.72 (5) | C5F—C6F—H6F | 119.3 |
O2—K21—K1 | 47.46 (4) | C1F—C6F—H6F | 119.3 |
O3W—K21—K1 | 105.81 (12) | Si3—O3—K6 | 122.81 (11) |
O1W—K21—K1 | 48.24 (5) | Si3—O3—K3 | 136.52 (10) |
K4—K21—K1 | 69.68 (3) | K6—O3—K3 | 95.04 (8) |
O4—K21—Si4 | 21.64 (4) | Si3—O3—K5 | 105.39 (10) |
O1—K21—Si4 | 165.21 (10) | K6—O3—K5 | 92.20 (6) |
O2—K21—Si4 | 106.00 (6) | K3—O3—K5 | 92.42 (6) |
O3W—K21—Si4 | 84.11 (10) | Si3—O3—K61 | 112.40 (10) |
O1W—K21—Si4 | 97.38 (7) | K3—O3—K61 | 106.59 (8) |
K4—K21—Si4 | 69.35 (3) | K5—O3—K61 | 90.58 (6) |
K1—K21—Si4 | 138.43 (5) | O3—Si3—C1G | 113.25 (10) |
O4—K21—K61 | 45.23 (5) | O3—Si3—C1H | 110.05 (12) |
O1—K21—K61 | 114.67 (13) | C1G—Si3—C1H | 107.03 (11) |
O2—K21—K61 | 114.79 (7) | O3—Si3—C1I | 113.00 (10) |
O3W—K21—K61 | 47.55 (10) | C1G—Si3—C1I | 107.69 (10) |
O1W—K21—K61 | 55.22 (7) | C1H—Si3—C1I | 105.36 (11) |
K4—K21—K61 | 67.81 (4) | O3—Si3—K5 | 48.51 (8) |
K1—K21—K61 | 102.92 (9) | C1G—Si3—K5 | 145.99 (7) |
Si4—K21—K61 | 54.36 (4) | C1H—Si3—K5 | 66.02 (8) |
O4—K21—Si2 | 93.02 (6) | C1I—Si3—K5 | 106.20 (7) |
O1—K21—Si2 | 93.41 (6) | O3—Si3—K6 | 35.76 (8) |
O2—K21—Si2 | 17.23 (4) | C1G—Si3—K6 | 121.12 (8) |
O3W—K21—Si2 | 165.93 (12) | C1H—Si3—K6 | 128.46 (8) |
O1W—K21—Si2 | 88.16 (4) | C1I—Si3—K6 | 77.86 (8) |
K4—K21—Si2 | 58.14 (3) | K5—Si3—K6 | 63.94 (3) |
K1—K21—Si2 | 61.63 (3) | O3—Si3—K61 | 45.71 (8) |
Si4—K21—Si2 | 101.23 (5) | C1G—Si3—K61 | 125.26 (8) |
K61—K21—Si2 | 125.89 (4) | C1H—Si3—K61 | 127.25 (8) |
O4—K21—K3 | 114.84 (10) | C1I—Si3—K61 | 67.48 (8) |
O1—K21—K3 | 44.40 (6) | K5—Si3—K61 | 66.69 (3) |
O2—K21—K3 | 108.91 (7) | C6G—C1G—C2G | 116.7 (2) |
O3W—K21—K3 | 44.95 (10) | C6G—C1G—Si3 | 120.76 (18) |
O1W—K21—K3 | 55.61 (6) | C2G—C1G—Si3 | 122.48 (17) |
K4—K21—K3 | 103.97 (7) | C3G—C2G—C1G | 121.7 (2) |
K1—K21—K3 | 61.93 (4) | C3G—C2G—H2G | 119.1 |
Si4—K21—K3 | 122.99 (7) | C1G—C2G—H2G | 119.1 |
K61—K21—K3 | 70.39 (8) | C4G—C3G—C2G | 120.0 (2) |
Si2—K21—K3 | 123.48 (4) | C4G—C3G—H3G | 120.0 |
O5—K3—O3 | 91.43 (6) | C2G—C3G—H3G | 120.0 |
O5—K3—O2W | 121.29 (9) | C5G—C4G—C3G | 119.5 (2) |
O3—K3—O2W | 78.54 (9) | C5G—C4G—H4G | 120.3 |
O5—K3—O3W | 119.49 (10) | C3G—C4G—H4G | 120.3 |
O3—K3—O3W | 58.77 (11) | C4G—C5G—C6G | 120.4 (2) |
O5—K3—O1 | 91.10 (6) | C4G—C5G—H5G | 119.8 |
O3—K3—O1 | 126.43 (6) | C6G—C5G—H5G | 119.8 |
O2W—K3—O1 | 55.25 (9) | C5G—C6G—C1G | 121.6 (2) |
O3W—K3—O1 | 73.89 (10) | C5G—C6G—H6G | 119.2 |
O5—K3—C1B | 114.60 (6) | C1G—C6G—H6G | 119.2 |
O3—K3—C1B | 153.87 (7) | C2H—C1H—C6H | 116.3 (3) |
O2W—K3—C1B | 85.51 (9) | C2H—C1H—Si3 | 120.9 (2) |
O3W—K3—C1B | 103.23 (11) | C6H—C1H—Si3 | 122.7 (2) |
O1—K3—C1B | 54.70 (6) | C2H—C1H—K5 | 85.75 (18) |
O5—K3—C6B | 97.66 (7) | C6H—C1H—K5 | 98.6 (2) |
O3—K3—C6B | 160.39 (7) | Si3—C1H—K5 | 81.52 (10) |
O2W—K3—C6B | 110.73 (9) | C1H—C2H—C3H | 122.3 (3) |
O3W—K3—C6B | 128.56 (11) | C1H—C2H—K5 | 70.18 (17) |
O1—K3—C6B | 70.96 (6) | C3H—C2H—K5 | 107.9 (2) |
C1B—K3—C6B | 25.37 (7) | C1H—C2H—H2H | 118.8 |
O5—K3—C2B | 137.91 (7) | C3H—C2H—H2H | 118.8 |
O3—K3—C2B | 130.51 (7) | K5—C2H—H2H | 91.9 |
O2W—K3—C2B | 77.42 (9) | C4H—C3H—C2H | 119.9 (3) |
O3W—K3—C2B | 90.57 (10) | C4H—C3H—H3H | 120.1 |
O1—K3—C2B | 68.30 (6) | C2H—C3H—H3H | 120.1 |
C1B—K3—C2B | 23.91 (6) | C3H—C4H—C5H | 119.5 (4) |
C6B—K3—C2B | 41.73 (7) | C3H—C4H—H4H | 120.2 |
O5—K3—C5B | 102.09 (7) | C5H—C4H—H4H | 120.2 |
O3—K3—C5B | 137.48 (7) | C4H—C5H—C6H | 120.3 (4) |
O2W—K3—C5B | 124.04 (9) | C4H—C5H—H5H | 119.9 |
O3W—K3—C5B | 136.33 (11) | C6H—C5H—H5H | 119.9 |
O1—K3—C5B | 93.78 (6) | C5H—C6H—C1H | 121.7 (3) |
C1B—K3—C5B | 42.42 (7) | C5H—C6H—H6H | 119.2 |
C6B—K3—C5B | 23.24 (7) | C1H—C6H—H6H | 119.2 |
C2B—K3—C5B | 46.78 (7) | C6I—C1I—C2I | 116.4 (2) |
O5—K3—Si1 | 101.50 (5) | C6I—C1I—Si3 | 123.07 (18) |
O3—K3—Si1 | 146.15 (6) | C2I—C1I—Si3 | 120.46 (16) |
O2W—K3—Si1 | 67.97 (8) | C3I—C2I—C1I | 121.9 (2) |
O3W—K3—Si1 | 87.86 (10) | C3I—C2I—K61 | 110.74 (16) |
O1—K3—Si1 | 24.22 (3) | C1I—C2I—K61 | 102.50 (14) |
C1B—K3—Si1 | 30.55 (5) | C3I—C2I—K6 | 122.66 (15) |
C6B—K3—Si1 | 48.32 (5) | C1I—C2I—K6 | 92.65 (13) |
C2B—K3—Si1 | 47.17 (5) | C3I—C2I—H2I | 119.1 |
C5B—K3—Si1 | 70.32 (5) | C1I—C2I—H2I | 119.1 |
O5—K3—K6 | 87.26 (5) | K6—C2I—H2I | 52.9 |
O3—K3—K6 | 41.10 (5) | C4I—C3I—C2I | 120.1 (2) |
O2W—K3—K6 | 48.63 (8) | C4I—C3I—H3I | 120.0 |
O1—K3—K6 | 85.64 (5) | C2I—C3I—H3I | 120.0 |
C1B—K3—K6 | 132.97 (6) | C5I—C4I—C3I | 119.4 (2) |
C6B—K3—K6 | 156.12 (6) | C5I—C4I—H4I | 120.3 |
C2B—K3—K6 | 125.03 (6) | C3I—C4I—H4I | 120.3 |
C5B—K3—K6 | 170.64 (6) | C4I—C5I—C6I | 120.2 (2) |
Si1—K3—K6 | 107.81 (4) | C4I—C5I—H5I | 119.9 |
O5—K3—K5 | 47.92 (4) | C6I—C5I—H5I | 119.9 |
O3—K3—K5 | 44.07 (4) | C5I—C6I—C1I | 122.0 (2) |
O2W—K3—K5 | 107.13 (8) | C5I—C6I—H6I | 119.0 |
O3W—K3—K5 | 91.61 (9) | C1I—C6I—H6I | 119.0 |
O1—K3—K5 | 122.03 (4) | Si4—O4—K21 | 122.85 (10) |
C1B—K3—K5 | 161.96 (5) | Si4—O4—K4 | 144.33 (10) |
C6B—K3—K5 | 139.04 (6) | K21—O4—K4 | 84.42 (6) |
C2B—K3—K5 | 169.62 (5) | Si4—O4—K61 | 101.53 (9) |
C5B—K3—K5 | 128.54 (6) | K21—O4—K61 | 93.22 (8) |
Si1—K3—K5 | 143.07 (3) | K4—O4—K61 | 99.03 (6) |
K6—K3—K5 | 58.53 (2) | Si4—O4—K2 | 113.55 (9) |
O5—K3—H1W2 | 35.8 | K4—O4—K2 | 87.09 (6) |
O3—K3—H1W2 | 78.1 | Si4—O4—K6 | 111.46 (9) |
O2W—K3—H1W2 | 86.0 | K4—O4—K6 | 95.60 (6) |
O3W—K3—H1W2 | 84.4 | K2—O4—K6 | 92.19 (7) |
O1—K3—H1W2 | 73.6 | O4—Si4—C1K | 112.72 (11) |
C1B—K3—H1W2 | 121.6 | O4—Si4—C1J | 113.20 (10) |
C6B—K3—H1W2 | 118.9 | C1K—Si4—C1J | 108.19 (12) |
C2B—K3—H1W2 | 141.4 | O4—Si4—C1L | 110.44 (11) |
C5B—K3—H1W2 | 132.9 | C1K—Si4—C1L | 108.80 (12) |
Si1—K3—H1W2 | 94.4 | C1J—Si4—C1L | 102.98 (12) |
K6—K3—H1W2 | 55.8 | O4—Si4—K61 | 51.02 (7) |
K5—K3—H1W2 | 48.9 | C1K—Si4—K61 | 114.00 (9) |
O5—K3—H2W1 | 114.2 | C1J—Si4—K61 | 137.77 (10) |
O3—K3—H2W1 | 95.1 | C1L—Si4—K61 | 61.95 (9) |
O2W—K3—H2W1 | 18.0 | O4—Si4—K21 | 35.51 (8) |
O1—K3—H2W1 | 37.3 | C1K—Si4—K21 | 143.23 (9) |
C1B—K3—H2W1 | 72.9 | C1J—Si4—K21 | 82.43 (9) |
C6B—K3—H2W1 | 96.9 | C1L—Si4—K21 | 102.48 (9) |
C2B—K3—H2W1 | 71.2 | K61—Si4—K21 | 65.05 (5) |
C5B—K3—H2W1 | 114.7 | O4—Si4—K6 | 44.96 (7) |
Si1—K3—H2W1 | 51.1 | C1K—Si4—K6 | 123.94 (8) |
K6—K3—H2W1 | 60.1 | C1J—Si4—K6 | 127.73 (9) |
K5—K3—H2W1 | 116.0 | C1L—Si4—K6 | 65.70 (9) |
H1W2—K3—H2W1 | 82.3 | O4—Si4—K2 | 43.24 (7) |
O5—K3—H2W2 | 136.2 | C1K—Si4—K2 | 140.94 (9) |
O3—K3—H2W2 | 79.9 | C1J—Si4—K2 | 71.90 (9) |
O2W—K3—H2W2 | 14.9 | C1L—Si4—K2 | 109.08 (9) |
O1—K3—H2W2 | 62.4 | K6—Si4—K2 | 65.75 (3) |
C1B—K3—H2W2 | 79.5 | C2J—C1J—C6J | 116.3 (3) |
C6B—K3—H2W2 | 104.6 | C2J—C1J—Si4 | 122.46 (19) |
C2B—K3—H2W2 | 66.7 | C6J—C1J—Si4 | 121.2 (2) |
C5B—K3—H2W2 | 113.2 | C1J—C2J—C3J | 122.0 (3) |
Si1—K3—H2W2 | 69.0 | C1J—C2J—K2 | 97.37 (17) |
K6—K3—H2W2 | 58.3 | C3J—C2J—K2 | 116.0 (2) |
K5—K3—H2W2 | 115.8 | C1J—C2J—H2J | 119.0 |
H1W2—K3—H2W2 | 100.7 | C3J—C2J—H2J | 119.0 |
H2W1—K3—H2W2 | 26.9 | K2—C2J—H2J | 54.3 |
O5—K3—H3W2 | 118.0 | C4J—C3J—C2J | 120.3 (3) |
O3—K3—H3W2 | 44.2 | C4J—C3J—H3J | 119.8 |
O3W—K3—H3W2 | 15.4 | C2J—C3J—H3J | 119.8 |
O1—K3—H3W2 | 89.1 | C3J—C4J—C5J | 119.3 (3) |
C1B—K3—H3W2 | 115.2 | C3J—C4J—H4J | 120.3 |
C6B—K3—H3W2 | 139.7 | C5J—C4J—H4J | 120.3 |
C2B—K3—H3W2 | 98.7 | C4J—C5J—C6J | 119.9 (4) |
C5B—K3—H3W2 | 139.7 | C4J—C5J—H5J | 120.0 |
Si1—K3—H3W2 | 103.0 | C6J—C5J—H5J | 120.0 |
K5—K3—H3W2 | 81.3 | C5J—C6J—C1J | 121.9 (4) |
H1W2—K3—H3W2 | 86.3 | C5J—C6J—H6J | 119.0 |
O2—K4—O4 | 90.99 (6) | C1J—C6J—H6J | 119.0 |
O2—K4—O1W | 81.22 (6) | C6K—C1K—C2K | 117.3 (3) |
O4—K4—O1W | 85.34 (7) | C6K—C1K—Si4 | 120.1 (2) |
O2—K4—C1S | 151.41 (6) | C2K—C1K—Si4 | 122.6 (2) |
O4—K4—C1S | 111.78 (6) | C3K—C2K—C1K | 121.4 (3) |
O1W—K4—C1S | 83.58 (6) | C3K—C2K—H2K | 119.3 |
O2—K4—C2S | 159.70 (6) | C1K—C2K—H2K | 119.3 |
O4—K4—C2S | 107.49 (6) | C2K—C3K—C4K | 119.0 (4) |
O1W—K4—C2S | 107.99 (6) | C2K—C3K—H3K | 120.5 |
C1S—K4—C2S | 25.04 (6) | C4K—C3K—H3K | 120.5 |
O2—K4—C2F | 70.88 (6) | C5K—C4K—C3K | 120.6 (3) |
O4—K4—C2F | 90.70 (6) | C5K—C4K—H4K | 119.7 |
O1W—K4—C2F | 151.75 (6) | C3K—C4K—H4K | 119.7 |
C1S—K4—C2F | 123.50 (6) | C6K—C5K—C4K | 118.9 (4) |
C2S—K4—C2F | 99.88 (6) | C6K—C5K—H5K | 120.6 |
O2—K4—C6S | 126.80 (6) | C4K—C5K—H5K | 120.6 |
O4—K4—C6S | 133.97 (6) | C5K—C6K—C1K | 122.8 (4) |
O1W—K4—C6S | 77.07 (7) | C5K—C6K—H6K | 118.6 |
C1S—K4—C6S | 25.09 (6) | C1K—C6K—H6K | 118.6 |
C2S—K4—C6S | 43.00 (7) | C6L—C1L—C2L | 114.4 (3) |
C2F—K4—C6S | 123.43 (7) | C6L—C1L—Si4 | 126.7 (2) |
O2—K4—C3S | 136.57 (6) | C2L—C1L—Si4 | 118.7 (3) |
O4—K4—C3S | 121.86 (7) | C6L—C1L—K61 | 94.3 (2) |
O1W—K4—C3S | 125.07 (7) | C2L—C1L—K61 | 87.0 (3) |
C1S—K4—C3S | 43.42 (6) | Si4—C1L—K61 | 83.90 (9) |
C2S—K4—C3S | 24.17 (6) | C6L—C1L—K6 | 104.0 (2) |
C2F—K4—C3S | 80.38 (6) | C2L—C1L—K6 | 77.1 (3) |
C6S—K4—C3S | 49.13 (7) | Si4—C1L—K6 | 83.48 (9) |
O2—K4—C5S | 113.90 (6) | C3L—C2L—C1L | 123.7 (5) |
O4—K4—C5S | 154.65 (6) | C3L—C2L—K61 | 104.8 (5) |
O1W—K4—C5S | 93.48 (7) | C1L—C2L—K61 | 67.6 (3) |
C1S—K4—C5S | 43.13 (6) | C3L—C2L—K6 | 103.9 (5) |
C2S—K4—C5S | 48.90 (7) | C1L—C2L—K6 | 79.1 (3) |
C2F—K4—C5S | 101.61 (7) | C3L—C2L—H2L | 118.1 |
C6S—K4—C5S | 23.86 (6) | C1L—C2L—H2L | 118.1 |
C3S—K4—C5S | 41.15 (7) | K6—C2L—H2L | 86.9 |
O2—K4—K21 | 50.10 (5) | C4L—C3L—C2L | 119.5 (4) |
O4—K4—K21 | 46.32 (5) | C4L—C3L—H3L | 120.2 |
O1W—K4—K21 | 62.48 (7) | C2L—C3L—H3L | 120.2 |
C1S—K4—K21 | 138.30 (7) | C3L—C4L—C5L | 119.2 (4) |
C2S—K4—K21 | 150.19 (6) | C3L—C4L—H4L | 120.4 |
C2F—K4—K21 | 95.02 (7) | C5L—C4L—H4L | 120.4 |
C6S—K4—K21 | 139.54 (7) | C4L—C5L—C6L | 120.9 (4) |
C3S—K4—K21 | 167.63 (6) | C4L—C5L—H5L | 119.6 |
C5S—K4—K21 | 151.00 (6) | C6L—C5L—H5L | 119.6 |
O2—K4—C1F | 54.47 (5) | C1L—C6L—C5L | 122.3 (3) |
O4—K4—C1F | 106.79 (6) | C1L—C6L—K61 | 62.08 (17) |
O1W—K4—C1F | 133.43 (6) | C5L—C6L—K61 | 104.2 (3) |
C1S—K4—C1F | 128.21 (6) | C1L—C6L—H6L | 118.9 |
C2S—K4—C1F | 110.41 (6) | C5L—C6L—H6L | 118.9 |
C2F—K4—C1F | 23.87 (6) | K61—C6L—H6L | 103.4 |
C6S—K4—C1F | 116.26 (6) | Si5—O5—K3 | 135.73 (10) |
C3S—K4—C1F | 86.93 (6) | Si5—O5—K5 | 105.24 (8) |
C5S—K4—C1F | 92.39 (6) | K3—O5—K5 | 89.72 (5) |
K21—K4—C1F | 93.44 (6) | Si5—O5—K1 | 110.26 (9) |
O2—K4—C4S | 117.99 (6) | K3—O5—K1 | 89.00 (6) |
O4—K4—C4S | 144.99 (7) | K5—O5—K1 | 129.61 (7) |
O1W—K4—C4S | 116.45 (7) | O5—Si5—C1OO | 115.56 (15) |
C1S—K4—C4S | 49.89 (6) | O5—Si5—C3NN | 119.22 (14) |
C2S—K4—C4S | 41.77 (6) | O5—Si5—C1M | 114.01 (14) |
C2F—K4—C4S | 81.74 (7) | O5—Si5—C1MM | 107.47 (13) |
C6S—K4—C4S | 41.71 (6) | O5—Si5—C1N | 105.94 (12) |
C3S—K4—C4S | 23.19 (7) | O5—Si5—C1O | 107.55 (12) |
C5S—K4—C4S | 23.19 (7) | O5—Si5—K5 | 49.81 (7) |
K21—K4—C4S | 167.78 (6) | C1OO—Si5—K5 | 143.42 (13) |
C1F—K4—C4S | 78.80 (6) | C3NN—Si5—K5 | 131.74 (12) |
O2—K4—H1W1 | 98.7 | C1M—Si5—K5 | 64.88 (12) |
O4—K4—H1W1 | 84.6 | C1MM—Si5—K5 | 58.88 (11) |
O1W—K4—H1W1 | 17.5 | C1N—Si5—K5 | 105.53 (10) |
C1S—K4—H1W1 | 67.9 | C1O—Si5—K5 | 124.36 (9) |
C2S—K4—H1W1 | 91.5 | O5—Si5—K1 | 47.30 (7) |
C2F—K4—H1W1 | 168.6 | C1OO—Si5—K1 | 68.36 (12) |
C6S—K4—H1W1 | 66.4 | C3NN—Si5—K1 | 112.52 (11) |
C3S—K4—H1W1 | 110.9 | C1M—Si5—K1 | 137.65 (13) |
C5S—K4—H1W1 | 86.8 | C1MM—Si5—K1 | 131.44 (10) |
K21—K4—H1W1 | 74.2 | C1N—Si5—K1 | 122.16 (11) |
C1F—K4—H1W1 | 150.0 | C1O—Si5—K1 | 63.88 (10) |
C4S—K4—H1W1 | 108.0 | K5—Si5—K1 | 90.82 (3) |
O6—K5—O3 | 86.65 (6) | O5—Si5—K3 | 27.79 (7) |
O6—K5—O5 | 101.34 (6) | C1OO—Si5—K3 | 123.86 (12) |
O3—K5—O5 | 85.37 (5) | C3NN—Si5—K3 | 92.33 (12) |
O6—K5—C2M | 143.46 (7) | C1M—Si5—K3 | 123.04 (12) |
O3—K5—C2M | 127.65 (7) | C1MM—Si5—K3 | 118.58 (12) |
O5—K5—C2M | 73.16 (9) | C1N—Si5—K3 | 78.45 (10) |
O6—K5—C6MM | 97.75 (7) | C1O—Si5—K3 | 125.02 (10) |
O3—K5—C6MM | 154.05 (7) | K5—Si5—K3 | 61.71 (2) |
O5—K5—C6MM | 68.69 (7) | K1—Si5—K3 | 61.36 (2) |
O6—K5—C1MM | 121.04 (8) | C2M—C1M—C6M | 120.0 |
O3—K5—C1MM | 134.86 (6) | C2M—C1M—Si5 | 117.3 (2) |
O5—K5—C1MM | 56.48 (6) | C6M—C1M—Si5 | 122.5 (2) |
C6MM—K5—C1MM | 25.9 | C2M—C1M—K5 | 67.14 (17) |
O6—K5—C1H | 118.56 (6) | C6M—C1M—K5 | 113.62 (18) |
O3—K5—C1H | 56.87 (6) | Si5—C1M—K5 | 83.68 (13) |
O5—K5—C1H | 120.04 (6) | C3M—C2M—C1M | 120.0 |
C2M—K5—C1H | 93.79 (8) | C3M—C2M—K5 | 103.92 (18) |
C6MM—K5—C1H | 137.26 (7) | C1M—C2M—K5 | 88.07 (18) |
C1MM—K5—C1H | 119.45 (9) | C3M—C2M—H2M | 120.0 |
O6—K5—O1W | 51.46 (5) | C1M—C2M—H2M | 120.0 |
O3—K5—O1W | 77.69 (6) | K5—C2M—H2M | 78.1 |
O5—K5—O1W | 50.40 (5) | C2M—C3M—C4M | 120.0 |
C2M—K5—O1W | 117.20 (9) | C2M—C3M—H3M | 120.0 |
C6MM—K5—O1W | 85.11 (7) | C4M—C3M—H3M | 120.0 |
C1MM—K5—O1W | 92.32 (8) | C5M—C4M—C3M | 120.0 |
C1H—K5—O1W | 134.55 (6) | C5M—C4M—H4M | 120.0 |
O6—K5—C1M | 123.23 (8) | C3M—C4M—H4M | 120.0 |
O3—K5—C1M | 133.20 (6) | C4M—C5M—C6M | 120.0 |
O5—K5—C1M | 56.17 (6) | C4M—C5M—H5M | 120.0 |
C2M—K5—C1M | 24.8 | C6M—C5M—H5M | 120.0 |
C1H—K5—C1M | 117.42 (9) | C5M—C6M—C1M | 120.0 |
O1W—K5—C1M | 93.42 (8) | C5M—C6M—H6M | 120.0 |
O6—K5—C2H | 142.35 (6) | C1M—C6M—H6M | 120.0 |
O3—K5—C2H | 67.00 (7) | C2MM—C1MM—C6MM | 120.0 |
O5—K5—C2H | 102.70 (7) | C2MM—C1MM—Si5 | 122.49 (19) |
C2M—K5—C2H | 72.03 (8) | C6MM—C1MM—Si5 | 117.43 (19) |
C6MM—K5—C2H | 117.85 (7) | C2MM—C1MM—K5 | 101.60 (14) |
C1MM—K5—C2H | 96.43 (9) | C6MM—C1MM—K5 | 75.78 (12) |
C1H—K5—C2H | 24.06 (7) | Si5—C1MM—K5 | 89.11 (12) |
O1W—K5—C2H | 137.77 (7) | C3MM—C2MM—C1MM | 120.0 |
C1M—K5—C2H | 94.28 (9) | C3MM—C2MM—H2MM | 120.0 |
O6—K5—Si3 | 95.99 (4) | C1MM—C2MM—H2MM | 120.0 |
O3—K5—Si3 | 26.10 (4) | C4MM—C3MM—C2MM | 120.0 |
O5—K5—Si3 | 107.27 (4) | C4MM—C3MM—H3MM | 120.0 |
C2M—K5—Si3 | 120.34 (6) | C2MM—C3MM—H3MM | 120.0 |
C6MM—K5—Si3 | 166.20 (6) | C3MM—C4MM—C5MM | 120.0 |
C1MM—K5—Si3 | 140.80 (6) | C3MM—C4MM—H4MM | 120.0 |
C1H—K5—Si3 | 32.46 (5) | C5MM—C4MM—H4MM | 120.0 |
O1W—K5—Si3 | 102.58 (5) | C6MM—C5MM—C4MM | 120.0 |
C1M—K5—Si3 | 138.53 (7) | C6MM—C5MM—H5MM | 120.0 |
C2H—K5—Si3 | 49.14 (5) | C4MM—C5MM—H5MM | 120.0 |
O6—K5—C6R | 63.79 (6) | C5MM—C6MM—C1MM | 120.0 |
O3—K5—C6R | 125.38 (6) | C5MM—C6MM—K5 | 100.40 (15) |
O5—K5—C6R | 142.07 (6) | C1MM—C6MM—K5 | 78.30 (13) |
C2M—K5—C6R | 97.90 (9) | C5MM—C6MM—H6MM | 120.0 |
C6MM—K5—C6R | 78.64 (7) | C1MM—C6MM—H6MM | 120.0 |
C1MM—K5—C6R | 99.56 (6) | K5—C6MM—H6MM | 91.3 |
C1H—K5—C6R | 96.92 (7) | C2N—C1N—C6N | 120.0 |
O1W—K5—C6R | 109.65 (6) | C2N—C1N—Si5 | 120.85 (18) |
C1M—K5—C6R | 101.04 (7) | C6N—C1N—Si5 | 118.80 (18) |
C2H—K5—C6R | 109.44 (8) | C3N—C2N—C1N | 120.0 |
Si3—K5—C6R | 108.83 (5) | C3N—C2N—H2N | 120.0 |
O6—K5—H1W1 | 37.7 | C1N—C2N—H2N | 120.0 |
O3—K5—H1W1 | 81.5 | C4N—C3N—C2N | 120.0 |
O5—K5—H1W1 | 63.8 | C4N—C3N—H3N | 120.0 |
C2M—K5—H1W1 | 125.4 | C2N—C3N—H3N | 120.0 |
C6MM—K5—H1W1 | 86.5 | C3N—C4N—C5N | 120.0 |
C1MM—K5—H1W1 | 99.2 | C3N—C4N—H4N | 120.0 |
C1H—K5—H1W1 | 136.1 | C5N—C4N—H4N | 120.0 |
O1W—K5—H1W1 | 14.0 | C6N—C5N—C4N | 120.0 |
C1M—K5—H1W1 | 100.7 | C6N—C5N—H5N | 120.0 |
C2H—K5—H1W1 | 147.1 | C4N—C5N—H5N | 120.0 |
Si3—K5—H1W1 | 103.8 | C5N—C6N—C1N | 120.0 |
C6R—K5—H1W1 | 96.3 | C5N—C6N—H6N | 120.0 |
O6—K5—H1W2 | 65.8 | C1N—C6N—H6N | 120.0 |
O3—K5—H1W2 | 79.5 | C2NN—C1NN—C6NN | 120.0 |
O5—K5—H1W2 | 35.8 | C1NN—C2NN—C3NN | 120.0 |
C2M—K5—H1W2 | 104.4 | C1NN—C2NN—H2NN | 120.0 |
C6MM—K5—H1W2 | 79.1 | C3NN—C2NN—H2NN | 120.0 |
C1MM—K5—H1W2 | 81.1 | C4NN—C3NN—C2NN | 120.0 |
C1H—K5—H1W2 | 134.5 | C4NN—C3NN—Si5 | 119.8 (2) |
O1W—K5—H1W2 | 14.6 | C2NN—C3NN—Si5 | 119.7 (2) |
C1M—K5—H1W2 | 81.9 | C4NN—C3NN—H3NN | 120.0 |
C2H—K5—H1W2 | 129.6 | C2NN—C3NN—H3NN | 120.0 |
Si3—K5—H1W2 | 105.6 | Si5—C3NN—H3NN | 7.3 |
C6R—K5—H1W2 | 120.6 | C5NN—C4NN—C3NN | 120.0 |
H1W1—K5—H1W2 | 28.1 | C5NN—C4NN—H4NN | 120.0 |
O3—K6—O6 | 87.90 (7) | C3NN—C4NN—H4NN | 120.0 |
O3—K6—O4 | 161.31 (10) | C6NN—C5NN—C4NN | 120.0 |
O6—K6—O4 | 97.53 (6) | C6NN—C5NN—H5NN | 120.0 |
O3—K6—O1W | 88.39 (8) | C4NN—C5NN—H5NN | 120.0 |
O6—K6—O1W | 55.94 (6) | C5NN—C6NN—C1NN | 120.0 |
O4—K6—O1W | 80.06 (6) | C5NN—C6NN—H6NN | 120.0 |
O3—K6—O2W | 77.08 (10) | C1NN—C6NN—H6NN | 120.0 |
O6—K6—O2W | 138.29 (10) | C2O—C1O—C6O | 120.0 |
O4—K6—O2W | 87.18 (8) | C2O—C1O—Si5 | 117.87 (17) |
O1W—K6—O2W | 84.59 (9) | C6O—C1O—Si5 | 121.99 (17) |
O3—K6—C2L | 115.48 (9) | C2O—C1O—K1 | 63.39 (13) |
O6—K6—C2L | 147.58 (11) | C6O—C1O—K1 | 125.53 (14) |
O4—K6—C2L | 67.77 (10) | Si5—C1O—K1 | 84.18 (10) |
O1W—K6—C2L | 140.52 (11) | C1O—C2O—C3O | 120.0 |
O2W—K6—C2L | 71.96 (11) | C1O—C2O—K1 | 93.46 (14) |
O3—K6—C1L | 135.04 (7) | C3O—C2O—K1 | 111.63 (15) |
O6—K6—C1L | 124.48 (9) | C1O—C2O—H2O | 120.0 |
O4—K6—C1L | 54.31 (6) | C3O—C2O—H2O | 120.0 |
O1W—K6—C1L | 134.36 (7) | K1—C2O—H2O | 64.6 |
O2W—K6—C1L | 91.74 (9) | C2O—C3O—C4O | 120.0 |
C2L—K6—C1L | 23.77 (8) | C2O—C3O—H3O | 120.0 |
O3—K6—C2I | 66.86 (6) | C4O—C3O—H3O | 120.0 |
O6—K6—C2I | 72.68 (6) | C5O—C4O—C3O | 120.0 |
O4—K6—C2I | 131.83 (9) | C5O—C4O—H4O | 120.0 |
O1W—K6—C2I | 123.71 (6) | C3O—C4O—H4O | 120.0 |
O2W—K6—C2I | 131.70 (9) | C4O—C5O—C6O | 120.0 |
C2L—K6—C2I | 95.25 (11) | C4O—C5O—H5O | 120.0 |
C1L—K6—C2I | 91.91 (8) | C6O—C5O—H5O | 120.0 |
O3—K6—Si3 | 21.44 (4) | C5O—C6O—C1O | 120.0 |
O6—K6—Si3 | 90.39 (5) | C5O—C6O—H6O | 120.0 |
O4—K6—Si3 | 171.41 (5) | C1O—C6O—H6O | 120.0 |
O1W—K6—Si3 | 107.31 (7) | C2OO—C1OO—C6OO | 120.0 |
O2W—K6—Si3 | 89.13 (9) | C2OO—C1OO—Si5 | 120.0 (2) |
C2L—K6—Si3 | 103.70 (9) | C6OO—C1OO—Si5 | 119.7 (2) |
C1L—K6—Si3 | 118.12 (6) | C1OO—C2OO—C3OO | 120.0 |
C2I—K6—Si3 | 47.78 (4) | C1OO—C2OO—K1 | 105.17 (17) |
O3—K6—Si4 | 162.05 (6) | C3OO—C2OO—K1 | 105.70 (19) |
O6—K6—Si4 | 109.84 (6) | C1OO—C2OO—H2OO | 120.0 |
O4—K6—Si4 | 23.58 (4) | C3OO—C2OO—H2OO | 120.0 |
O1W—K6—Si4 | 103.61 (5) | K1—C2OO—H2OO | 57.8 |
O2W—K6—Si4 | 90.63 (7) | C4OO—C3OO—C2OO | 120.0 |
C2L—K6—Si4 | 47.29 (8) | C4OO—C3OO—H3OO | 120.0 |
C1L—K6—Si4 | 30.81 (5) | C2OO—C3OO—H3OO | 120.0 |
C2I—K6—Si4 | 114.84 (7) | C3OO—C4OO—C5OO | 120.0 |
Si3—K6—Si4 | 148.91 (4) | C3OO—C4OO—H4OO | 120.0 |
O3—K6—K5 | 45.63 (5) | C5OO—C4OO—H4OO | 120.0 |
O6—K6—K5 | 43.92 (4) | C6OO—C5OO—C4OO | 120.0 |
O4—K6—K5 | 132.72 (5) | C6OO—C5OO—H5OO | 120.0 |
O1W—K6—K5 | 56.86 (5) | C4OO—C5OO—H5OO | 120.0 |
O2W—K6—K5 | 105.41 (9) | C5OO—C6OO—C1OO | 120.0 |
C2L—K6—K5 | 159.50 (9) | C5OO—C6OO—H6OO | 120.0 |
C1L—K6—K5 | 161.17 (8) | C1OO—C6OO—H6OO | 120.0 |
C2I—K6—K5 | 70.97 (4) | Si6—O6—K61 | 124.17 (10) |
Si3—K6—K5 | 55.81 (3) | Si6—O6—K5 | 127.40 (9) |
Si4—K6—K5 | 152.22 (4) | K61—O6—K5 | 102.76 (7) |
O3—K6—K3 | 43.86 (5) | Si6—O6—K6 | 139.78 (10) |
O6—K6—K3 | 99.55 (6) | K5—O6—K6 | 89.98 (6) |
O4—K6—K3 | 117.46 (7) | O6—Si6—C1R | 111.85 (11) |
O1W—K6—K3 | 62.35 (6) | O6—Si6—C1P | 111.98 (9) |
O2W—K6—K3 | 44.22 (8) | C1R—Si6—C1P | 107.09 (10) |
C2L—K6—K3 | 112.87 (8) | O6—Si6—C1S | 109.94 (9) |
C1L—K6—K3 | 135.17 (7) | C1R—Si6—C1S | 107.02 (10) |
C2I—K6—K3 | 110.69 (6) | C1P—Si6—C1S | 108.76 (10) |
Si3—K6—K3 | 64.07 (4) | O6—Si6—K61 | 35.27 (7) |
Si4—K6—K3 | 131.14 (5) | C1R—Si6—K61 | 138.21 (9) |
K5—K6—K3 | 61.22 (4) | C1P—Si6—K61 | 79.72 (8) |
O3—K6—H1W1 | 89.5 | C1S—Si6—K61 | 109.43 (7) |
O6—K6—H1W1 | 39.0 | O6—Si6—K5 | 33.17 (6) |
O4—K6—H1W1 | 83.7 | C1R—Si6—K5 | 78.73 (9) |
O1W—K6—H1W1 | 17.0 | C1P—Si6—K5 | 126.38 (7) |
O2W—K6—H1W1 | 101.4 | C1S—Si6—K5 | 120.46 (8) |
C2L—K6—H1W1 | 150.8 | K61—Si6—K5 | 65.59 (4) |
C1L—K6—H1W1 | 135.4 | C2P—C1P—C6P | 116.6 (2) |
C2I—K6—H1W1 | 109.1 | C2P—C1P—Si6 | 120.62 (17) |
Si3—K6—H1W1 | 104.6 | C6P—C1P—Si6 | 122.76 (18) |
Si4—K6—H1W1 | 105.9 | C3P—C2P—C1P | 122.2 (2) |
K5—K6—H1W1 | 49.4 | C3P—C2P—K61 | 123.31 (15) |
K3—K6—H1W1 | 74.0 | C1P—C2P—K61 | 93.34 (14) |
O6—K61—O4 | 103.41 (7) | C3P—C2P—H2P | 118.9 |
O6—K61—O3W | 122.57 (13) | C1P—C2P—H2P | 118.9 |
O4—K61—O3W | 86.32 (11) | K61—C2P—H2P | 51.1 |
O6—K61—C1L | 149.43 (11) | C4P—C3P—C2P | 119.7 (2) |
O4—K61—C1L | 60.59 (7) | C4P—C3P—H3P | 120.1 |
O3W—K61—C1L | 84.30 (11) | C2P—C3P—H3P | 120.1 |
O6—K61—O3 | 79.88 (7) | C5P—C4P—C3P | 119.6 (2) |
O4—K61—O3 | 134.01 (11) | C5P—C4P—H4P | 120.2 |
O3W—K61—O3 | 56.51 (11) | C3P—C4P—H4P | 120.2 |
C1L—K61—O3 | 130.41 (8) | C4P—C5P—C6P | 120.1 (2) |
O6—K61—C2I | 79.64 (7) | C4P—C5P—H5P | 119.9 |
O4—K61—C2I | 159.67 (12) | C6P—C5P—H5P | 119.9 |
O3W—K61—C2I | 109.24 (12) | C5P—C6P—C1P | 121.7 (2) |
C1L—K61—C2I | 106.79 (9) | C5P—C6P—H6P | 119.2 |
O3—K61—C2I | 66.25 (6) | C1P—C6P—H6P | 119.2 |
O6—K61—C2L | 173.99 (11) | C2R—C1R—C6R | 117.4 (2) |
O4—K61—C2L | 71.17 (10) | C2R—C1R—Si6 | 122.83 (19) |
O3W—K61—C2L | 60.56 (12) | C6R—C1R—Si6 | 119.8 (2) |
C1L—K61—C2L | 25.43 (9) | C3R—C2R—C1R | 121.2 (3) |
O3—K61—C2L | 105.71 (10) | C3R—C2R—H2R | 119.4 |
C2I—K61—C2L | 104.50 (11) | C1R—C2R—H2R | 119.4 |
O6—K61—O1W | 51.15 (6) | C4R—C3R—C2R | 120.0 (3) |
O4—K61—O1W | 74.49 (7) | C4R—C3R—H3R | 120.0 |
O3W—K61—O1W | 79.36 (11) | C2R—C3R—H3R | 120.0 |
C1L—K61—O1W | 132.95 (8) | C5R—C4R—C3R | 120.1 (3) |
O3—K61—O1W | 72.88 (7) | C5R—C4R—H4R | 120.0 |
C2I—K61—O1W | 120.24 (7) | C3R—C4R—H4R | 120.0 |
C2L—K61—O1W | 127.81 (11) | C4R—C5R—C6R | 120.0 (3) |
O6—K61—Si4 | 123.03 (6) | C4R—C5R—H5R | 120.0 |
O4—K61—Si4 | 27.46 (4) | C6R—C5R—H5R | 120.0 |
O3W—K61—Si4 | 90.51 (10) | C5R—C6R—C1R | 121.3 (3) |
C1L—K61—Si4 | 34.15 (5) | C5R—C6R—K5 | 119.9 (2) |
O3—K61—Si4 | 146.99 (8) | C1R—C6R—K5 | 94.57 (17) |
C2I—K61—Si4 | 135.60 (9) | C5R—C6R—H6R | 119.3 |
C2L—K61—Si4 | 50.97 (9) | C1R—C6R—H6R | 119.3 |
O1W—K61—Si4 | 101.93 (6) | K5—C6R—H6R | 53.9 |
O6—K61—C6L | 136.67 (11) | C2S—C1S—C6S | 117.0 (2) |
O4—K61—C6L | 78.74 (8) | C2S—C1S—Si6 | 124.59 (18) |
O3W—K61—C6L | 100.75 (11) | C6S—C1S—Si6 | 118.22 (18) |
C1L—K61—C6L | 23.61 (7) | C2S—C1S—K4 | 79.67 (12) |
O3—K61—C6L | 129.73 (7) | C6S—C1S—K4 | 80.85 (13) |
C2I—K61—C6L | 85.36 (8) | Si6—C1S—K4 | 104.38 (8) |
C2L—K61—C6L | 40.81 (9) | C3S—C2S—C1S | 121.7 (2) |
O1W—K61—C6L | 153.18 (7) | C3S—C2S—K4 | 83.17 (14) |
Si4—K61—C6L | 51.35 (6) | C1S—C2S—K4 | 75.29 (12) |
O6—K61—C2P | 66.69 (7) | C3S—C2S—H2S | 119.2 |
O4—K61—C2P | 84.51 (8) | C1S—C2S—H2S | 119.2 |
O3W—K61—C2P | 168.43 (11) | K4—C2S—H2S | 112.5 |
C1L—K61—C2P | 85.06 (9) | C4S—C3S—C2S | 120.2 (3) |
O3—K61—C2P | 134.89 (7) | C4S—C3S—K4 | 82.08 (15) |
C2I—K61—C2P | 78.25 (8) | C2S—C3S—K4 | 72.67 (13) |
C2L—K61—C2P | 109.56 (10) | C4S—C3S—H3S | 119.9 |
O1W—K61—C2P | 104.86 (6) | C2S—C3S—H3S | 119.9 |
Si4—K61—C2P | 78.12 (7) | K4—C3S—H3S | 115.9 |
C6L—K61—C2P | 70.54 (8) | C3S—C4S—C5S | 119.8 (2) |
O6—K61—Si6 | 20.56 (4) | C3S—C4S—K4 | 74.73 (14) |
O4—K61—Si6 | 97.28 (6) | C5S—C4S—K4 | 76.83 (15) |
O3W—K61—Si6 | 142.60 (11) | C3S—C4S—H4S | 120.1 |
C1L—K61—Si6 | 129.72 (9) | C5S—C4S—H4S | 120.1 |
O3—K61—Si6 | 98.14 (5) | K4—C4S—H4S | 119.3 |
C2I—K61—Si6 | 78.49 (5) | C4S—C5S—C6S | 120.0 (3) |
C2L—K61—Si6 | 155.10 (11) | C4S—C5S—K4 | 79.98 (16) |
O1W—K61—Si6 | 66.07 (4) | C6S—C5S—K4 | 71.99 (14) |
Si4—K61—Si6 | 109.60 (5) | C4S—C5S—H5S | 120.0 |
C6L—K61—Si6 | 116.51 (9) | C6S—C5S—H5S | 120.0 |
C2P—K61—Si6 | 46.17 (5) | K4—C5S—H5S | 118.9 |
O6—K61—H1W1 | 37.2 | C5S—C6S—C1S | 121.4 (2) |
O4—K61—H1W1 | 80.8 | C5S—C6S—K4 | 84.15 (15) |
O3W—K61—H1W1 | 92.2 | C1S—C6S—K4 | 74.06 (12) |
C1L—K61—H1W1 | 141.4 | C5S—C6S—H6S | 119.3 |
O3—K61—H1W1 | 75.3 | C1S—C6S—H6S | 119.3 |
C2I—K61—H1W1 | 110.6 | K4—C6S—H6S | 112.6 |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
O1W—H1W1···O6 | 0.84 | 1.79 | 2.616 (3) | 168 |
O1W—H1W2···O5 | 0.84 | 1.80 | 2.635 (3) | 172 |
O2Wg—H2W1g···O1 | 0.84 | 1.80 | 2.630 (4) | 171 |
O3Wh—H3W2h···O3 | 0.84 | 1.97 | 2.775 (5) | 160 |
Selected interatomic distances of 1 and 2 (Å) top1 | K1···O1W | 3.260 (3) | K3···O5 | 2.626 (3) |
| K1···O1 | 2.807 (3) | K3···O1U | 2.780 (3) |
| K1···O2 | 2.887 (3) | K4···O1W | 2.959 (3) |
| K1···O5 | 2.590 (3) | K4···O2 | 2.896 (3) |
| K2···O1W | 3.351 (3) | K4···O4 | 2.588 (3) |
| K2···O2 | 2.591 (3) | K5···O1W | 2.888 (3) |
| K2···O1U | 2.890 (3) | K5···O6 | 2.582 (3) |
| K3···O1W | 3.112 (3) | K6···O1W | 2.886 (3) |
| K3···O1 | 2.997 (3) | K6···O1U | 2.974 (3) |
2 | K1···O1W | 2.763 (2) | K4···O2 | 2.6025 (17) |
| K1···O1 | 2.6305 (18) | K4···O2 | 2.6139 (16) |
| K1···O2 | 2.5857 (19) | K5···O1W | 3.258 (2) |
| K1···O5 | 3.063 (2) | K5···O6 | 2.6192 (18) |
| K2···O2W | 2.907 (4) | K6···O1W | 2.851 (2) |
| K2···O2 | 2.5692 (18) | K6···O2W | 2.888 (4) |
| K21···O1W | 3.258 (4) | K6···O3 | 2.537 (3) |
| K21···O3W | 2.906 (5) | K6···O4 | 2.798 (2) |
| K21···O4 | 2.495 (2) | K6···O6 | 2.7205 (19) |
| K3···O2W | 2.684 (4) | K61···O1W | 3.280 (3) |
| K3···O3W | 2.958 (5) | K61···O3W | 2.796 (5) |
| K4···O1W | 2.746 (2) | K61···O6 | 2.618 (2) |
Selected examples of coordination entities containing triphenylsiloxide
ligands topCoordination entity | Reference |
[Li(OSiPh3)]n | McGeary et al. (1991) |
[K(THF)0.2(OSiPh3)]n | |
[Li(OSiPh3)(DME)]2 (DME = dimethoxyethane) | |
[K4(OSiPh3)4(DME)]2 (DME = dimethoxyethane) | |
[K(18-crown-6)(OSiPh3)]2 | |