Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806001450/sj6186sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536806001450/sj6186Isup2.hkl |
CCDC reference: 298703
Key indicators
- Single-crystal X-ray study
- T = 100 K
- Mean (C-C) = 0.011 Å
- R factor = 0.068
- wR factor = 0.142
- Data-to-parameter ratio = 27.4
checkCIF/PLATON results
No syntax errors found
Alert level B PLAT241_ALERT_2_B Check High Ueq as Compared to Neighbors for C28
Alert level C RINTA01_ALERT_3_C The value of Rint is greater than 0.10 Rint given 0.107 PLAT020_ALERT_3_C The value of Rint is greater than 0.10 ......... 0.11 PLAT213_ALERT_2_C Atom C18 has ADP max/min Ratio ............. 3.40 prolat PLAT213_ALERT_2_C Atom C28 has ADP max/min Ratio ............. 3.30 prolat PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.18 Ratio PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.21 Ratio PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C12 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C23 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C26 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Si22 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for N23 PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 11 PLAT360_ALERT_2_C Short C(sp3)-C(sp3) Bond C22 - C23 ... 1.39 Ang. PLAT360_ALERT_2_C Short C(sp3)-C(sp3) Bond C25 - C26 ... 1.43 Ang. PLAT360_ALERT_2_C Short C(sp3)-C(sp3) Bond C28 - C29 ... 1.42 Ang. PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 63
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 16 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 12 ALERT type 2 Indicator that the structure model may be wrong or deficient 4 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion
Data collection: SMART (Bruker, 2000); cell refinement: SAINT (Bruker, 2000); data reduction: XPREP (Bruker, 2000); program(s) used to solve structure: DIRDIF99 (Beurskens et al., 1999); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: PLUTO (Meetsma, 2001) and PLATON (Spek, 2003); software used to prepare material for publication: PLATON and SHELXL97.
[Y(C4H11Si)3(C9H21N3)] | F(000) = 3384 |
Mr = 521.85 | The final unit cell was obtained from the xyz centroids of 5301 reflections after integration using the SAINT software package (Bruker, 2000). |
Monoclinic, P21/c | Dx = 1.147 Mg m−3 |
Hall symbol: -P 2ybc | Mo Kα radiation, λ = 0.71073 Å |
a = 16.164 (1) Å | Cell parameters from 5301 reflections |
b = 30.672 (2) Å | θ = 2.3–25.3° |
c = 18.290 (1) Å | µ = 2.06 mm−1 |
β = 90.030 (1)° | T = 100 K |
V = 9067.9 (10) Å3 | Block, colorless |
Z = 12 | 0.21 × 0.20 × 0.11 mm |
Bruker SMART APEX CCD area-detector diffractometer | 21757 independent reflections |
Radiation source: fine focus sealed Siemens Mo tube | 12842 reflections with I > 2σ(I) |
Parallel mounted graphite monochromator | Rint = 0.107 |
Detector resolution: 4096x4096 / 62x62 (binned 512) pixels mm-1 | θmax = 28.3°, θmin = 2.1° |
φ and ω scans | h = −21→21 |
Absorption correction: multi-scan (SADABS; Sheldrick, 2001) | k = −40→40 |
Tmin = 0.672, Tmax = 0.805 | l = −24→24 |
59585 measured reflections |
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.068 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.142 | H-atom parameters constrained |
S = 0.93 | w = 1/[σ2(Fo2) + (0.0395P)2 + 9.8014P] where P = (Fo2 + 2Fc2)/3 |
21757 reflections | (Δ/σ)max = 0.001 |
794 parameters | Δρmax = 0.30 e Å−3 |
0 restraints | Δρmin = −0.22 e Å−3 |
Geometry. Bond distances, angles etc. have been calculated using the rounded fractional coordinates. All e.s.d.'s are estimated from the variances of the (full) variance-covariance matrix. The cell e.s.d.'s are taken into account in the estimation of distances, angles and torsion angles |
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. |
x | y | z | Uiso*/Ueq | ||
Y11 | 0.75323 (4) | 0.28836 (2) | 0.42764 (4) | 0.0160 (2) | |
Si11 | 0.90796 (11) | 0.34836 (6) | 0.30223 (11) | 0.0184 (6) | |
Si12 | 0.58083 (11) | 0.35539 (6) | 0.32404 (11) | 0.0200 (6) | |
Si13 | 0.78855 (11) | 0.38210 (6) | 0.57235 (12) | 0.0215 (5) | |
N11 | 0.7059 (3) | 0.21246 (17) | 0.3791 (3) | 0.0277 (19) | |
N12 | 0.8567 (3) | 0.22637 (16) | 0.4628 (3) | 0.0197 (19) | |
N13 | 0.6954 (3) | 0.23835 (17) | 0.5294 (3) | 0.0297 (19) | |
C11 | 0.6788 (5) | 0.2187 (2) | 0.3052 (4) | 0.044 (3) | |
C12 | 0.7738 (5) | 0.1786 (2) | 0.3799 (5) | 0.055 (3) | |
C13 | 0.8546 (4) | 0.1941 (2) | 0.4015 (5) | 0.036 (3) | |
C14 | 0.9421 (4) | 0.2441 (2) | 0.4660 (4) | 0.034 (3) | |
C15 | 0.8378 (5) | 0.2062 (2) | 0.5338 (4) | 0.040 (3) | |
C16 | 0.7683 (4) | 0.2258 (3) | 0.5742 (5) | 0.050 (3) | |
C17 | 0.6399 (5) | 0.2670 (2) | 0.5740 (4) | 0.048 (3) | |
C18 | 0.6495 (5) | 0.2001 (3) | 0.5035 (5) | 0.051 (3) | |
C19 | 0.6334 (5) | 0.1990 (3) | 0.4248 (5) | 0.045 (3) | |
C110 | 0.8338 (4) | 0.3036 (2) | 0.3190 (3) | 0.0223 (19) | |
C111 | 0.8671 (5) | 0.4023 (2) | 0.3357 (4) | 0.033 (3) | |
C112 | 1.0108 (4) | 0.3380 (2) | 0.3472 (4) | 0.030 (3) | |
C113 | 0.9305 (4) | 0.3564 (2) | 0.2025 (4) | 0.029 (2) | |
C114 | 0.6176 (4) | 0.3189 (2) | 0.3970 (4) | 0.026 (3) | |
C115 | 0.6118 (4) | 0.4137 (2) | 0.3416 (4) | 0.026 (2) | |
C116 | 0.4665 (4) | 0.3566 (2) | 0.3104 (4) | 0.034 (3) | |
C117 | 0.6205 (4) | 0.3397 (2) | 0.2318 (4) | 0.031 (3) | |
C118 | 0.8191 (4) | 0.33526 (19) | 0.5161 (3) | 0.022 (2) | |
C119 | 0.6991 (4) | 0.4123 (2) | 0.5313 (4) | 0.029 (2) | |
C120 | 0.7572 (4) | 0.3663 (2) | 0.6671 (4) | 0.033 (2) | |
C121 | 0.8762 (4) | 0.42291 (18) | 0.5834 (4) | 0.030 (2) | |
Y22 | 0.23183 (4) | 0.12303 (2) | 0.07788 (4) | 0.0165 (2) | |
Si21 | 0.25987 (11) | 0.20871 (5) | −0.07308 (11) | 0.0217 (5) | |
Si22 | 0.41680 (12) | 0.18056 (6) | 0.19833 (12) | 0.0222 (6) | |
Si23 | 0.07223 (12) | 0.19219 (6) | 0.18981 (11) | 0.0202 (6) | |
N21 | 0.2286 (3) | 0.05867 (17) | 0.1680 (3) | 0.0253 (19) | |
N22 | 0.1657 (3) | 0.05260 (17) | 0.0206 (3) | 0.0233 (19) | |
N23 | 0.3429 (3) | 0.06508 (18) | 0.0457 (3) | 0.0257 (19) | |
C21 | 0.2183 (4) | 0.0783 (2) | 0.2420 (4) | 0.031 (2) | |
C22 | 0.1545 (5) | 0.0319 (3) | 0.1503 (5) | 0.049 (3) | |
C23 | 0.1449 (5) | 0.0196 (3) | 0.0777 (5) | 0.054 (3) | |
C24 | 0.0918 (4) | 0.0643 (2) | −0.0198 (4) | 0.032 (3) | |
C25 | 0.2307 (5) | 0.0355 (3) | −0.0319 (5) | 0.049 (3) | |
C26 | 0.3130 (5) | 0.0309 (3) | −0.0038 (5) | 0.056 (4) | |
C27 | 0.4150 (4) | 0.0879 (2) | 0.0120 (4) | 0.031 (3) | |
C28 | 0.3672 (5) | 0.0471 (3) | 0.1167 (6) | 0.070 (4) | |
C29 | 0.3040 (5) | 0.0319 (3) | 0.1646 (5) | 0.050 (3) | |
C210 | 0.2428 (4) | 0.15122 (18) | −0.0471 (4) | 0.023 (2) | |
C211 | 0.2526 (4) | 0.2184 (2) | −0.1735 (3) | 0.027 (2) | |
C212 | 0.3636 (4) | 0.2303 (2) | −0.0453 (4) | 0.033 (3) | |
C213 | 0.1774 (4) | 0.2434 (2) | −0.0315 (4) | 0.031 (3) | |
C214 | 0.3252 (4) | 0.1689 (2) | 0.1431 (4) | 0.025 (2) | |
C215 | 0.5120 (4) | 0.1530 (2) | 0.1627 (5) | 0.037 (3) | |
C216 | 0.4438 (5) | 0.2403 (2) | 0.1993 (5) | 0.045 (3) | |
C217 | 0.4018 (5) | 0.1645 (3) | 0.2955 (4) | 0.045 (3) | |
C218 | 0.0977 (4) | 0.1504 (2) | 0.1203 (4) | 0.022 (2) | |
C219 | 0.1134 (4) | 0.2474 (2) | 0.1647 (4) | 0.028 (3) | |
C220 | 0.1119 (5) | 0.1789 (2) | 0.2840 (4) | 0.032 (3) | |
C221 | −0.0419 (4) | 0.2004 (3) | 0.2040 (5) | 0.038 (3) | |
Y33 | 0.25867 (4) | 0.04884 (2) | 0.57305 (4) | 0.0150 (2) | |
Si31 | 0.27769 (12) | −0.03982 (6) | 0.42589 (12) | 0.0235 (6) | |
Si32 | 0.06712 (12) | −0.00862 (6) | 0.68651 (12) | 0.0231 (6) | |
Si33 | 0.40715 (12) | −0.02113 (6) | 0.69190 (12) | 0.0232 (7) | |
N31 | 0.2431 (3) | 0.11273 (16) | 0.6634 (3) | 0.0203 (17) | |
N32 | 0.3365 (3) | 0.11913 (16) | 0.5288 (3) | 0.0207 (19) | |
N33 | 0.1556 (3) | 0.10722 (17) | 0.5243 (3) | 0.0217 (19) | |
C31 | 0.2574 (4) | 0.0940 (2) | 0.7367 (4) | 0.027 (2) | |
C32 | 0.2988 (4) | 0.1506 (2) | 0.6500 (4) | 0.024 (2) | |
C33 | 0.3679 (4) | 0.1405 (2) | 0.5965 (4) | 0.024 (3) | |
C34 | 0.4080 (4) | 0.1066 (2) | 0.4827 (4) | 0.028 (3) | |
C35 | 0.2826 (4) | 0.1489 (2) | 0.4860 (4) | 0.023 (2) | |
C36 | 0.2014 (4) | 0.12806 (19) | 0.4631 (3) | 0.021 (2) | |
C37 | 0.0810 (4) | 0.0858 (2) | 0.4967 (4) | 0.033 (3) | |
C38 | 0.1322 (4) | 0.14000 (19) | 0.5806 (4) | 0.024 (2) | |
C39 | 0.1551 (4) | 0.12491 (19) | 0.6578 (4) | 0.022 (2) | |
C310 | 0.2626 (4) | 0.01768 (19) | 0.4491 (3) | 0.024 (2) | |
C311 | 0.2609 (4) | −0.0510 (2) | 0.3258 (4) | 0.030 (3) | |
C312 | 0.2014 (4) | −0.0762 (2) | 0.4743 (4) | 0.036 (3) | |
C313 | 0.3846 (4) | −0.0583 (2) | 0.4480 (4) | 0.043 (3) | |
C314 | 0.1586 (4) | 0.0035 (2) | 0.6310 (4) | 0.028 (2) | |
C315 | −0.0310 (4) | 0.0116 (2) | 0.6411 (4) | 0.038 (3) | |
C316 | 0.0516 (4) | −0.0690 (2) | 0.7037 (4) | 0.033 (3) | |
C317 | 0.0729 (5) | 0.0183 (2) | 0.7795 (4) | 0.036 (3) | |
C318 | 0.3866 (4) | 0.0234 (2) | 0.6268 (4) | 0.025 (3) | |
C319 | 0.3633 (5) | −0.0746 (2) | 0.6620 (5) | 0.036 (3) | |
C320 | 0.3674 (5) | −0.0089 (3) | 0.7852 (4) | 0.048 (3) | |
C321 | 0.5214 (4) | −0.0317 (3) | 0.7034 (5) | 0.044 (3) | |
H110' | 0.79276 | 0.30587 | 0.27899 | 0.0270* | |
H111' | 0.90705 | 0.42538 | 0.32442 | 0.0493* | |
H111" | 0.85853 | 0.40096 | 0.38874 | 0.0493* | |
H112' | 1.05035 | 0.36047 | 0.33207 | 0.0458* | |
H112" | 1.03148 | 0.30925 | 0.33255 | 0.0458* | |
H113' | 0.96835 | 0.38103 | 0.19634 | 0.0432* | |
H113" | 0.87874 | 0.36231 | 0.17630 | 0.0432* | |
H114' | 0.60003 | 0.33358 | 0.44257 | 0.0310* | |
H115' | 0.58731 | 0.43256 | 0.30409 | 0.0387* | |
H115" | 0.67223 | 0.41622 | 0.33979 | 0.0387* | |
H11 | 0.65349 | 0.19173 | 0.28709 | 0.0654* | |
H11' | 0.72626 | 0.22629 | 0.27445 | 0.0654* | |
H11" | 0.63799 | 0.24232 | 0.30352 | 0.0654* | |
H116' | 0.45289 | 0.37682 | 0.27076 | 0.0514* | |
H12 | 0.75730 | 0.15492 | 0.41368 | 0.0653* | |
H12' | 0.77811 | 0.16584 | 0.33037 | 0.0653* | |
H116" | 0.43962 | 0.36627 | 0.35564 | 0.0514* | |
H13 | 0.88122 | 0.20756 | 0.35826 | 0.0431* | |
H13' | 0.88854 | 0.16860 | 0.41571 | 0.0431* | |
H117' | 0.59617 | 0.35883 | 0.19463 | 0.0457* | |
H14 | 0.94537 | 0.26632 | 0.50449 | 0.0510* | |
H14' | 0.95619 | 0.25733 | 0.41884 | 0.0510* | |
H14" | 0.98101 | 0.22052 | 0.47685 | 0.0510* | |
H117" | 0.60528 | 0.30938 | 0.22137 | 0.0457* | |
H15 | 0.88786 | 0.20780 | 0.56481 | 0.0480* | |
H15' | 0.82528 | 0.17501 | 0.52560 | 0.0480* | |
H118' | 0.86822 | 0.34623 | 0.48951 | 0.0265* | |
H16 | 0.78881 | 0.25216 | 0.59980 | 0.0605* | |
H16' | 0.74993 | 0.20489 | 0.61207 | 0.0605* | |
H119' | 0.68791 | 0.43858 | 0.56014 | 0.0435* | |
H17 | 0.58988 | 0.27376 | 0.54589 | 0.0712* | |
H17' | 0.66895 | 0.29406 | 0.58609 | 0.0712* | |
H17" | 0.62453 | 0.25180 | 0.61913 | 0.0712* | |
H119" | 0.65001 | 0.39352 | 0.53140 | 0.0435* | |
H18 | 0.68095 | 0.17362 | 0.51696 | 0.0610* | |
H18' | 0.59585 | 0.19896 | 0.52954 | 0.0610* | |
H120' | 0.74445 | 0.39257 | 0.69542 | 0.0487* | |
H19 | 0.58631 | 0.21863 | 0.41378 | 0.0535* | |
H19' | 0.61688 | 0.16910 | 0.41081 | 0.0535* | |
H120" | 0.80263 | 0.35045 | 0.69071 | 0.0487* | |
H121' | 0.85857 | 0.44651 | 0.61595 | 0.0446* | |
H121" | 0.89075 | 0.43501 | 0.53550 | 0.0446* | |
H110 | 0.86534 | 0.27653 | 0.30947 | 0.0270* | |
H111 | 0.81437 | 0.40873 | 0.31150 | 0.0493* | |
H112 | 1.00423 | 0.33885 | 0.40046 | 0.0458* | |
H113 | 0.95601 | 0.32991 | 0.18264 | 0.0432* | |
H114 | 0.58153 | 0.29292 | 0.39257 | 0.0310* | |
H115 | 0.59205 | 0.42270 | 0.38991 | 0.0387* | |
H116 | 0.44692 | 0.32730 | 0.29782 | 0.0514* | |
H117 | 0.68087 | 0.34260 | 0.23088 | 0.0457* | |
H118 | 0.84131 | 0.31443 | 0.55257 | 0.0265* | |
H119 | 0.71249 | 0.42057 | 0.48095 | 0.0435* | |
H120 | 0.70817 | 0.34755 | 0.66492 | 0.0487* | |
H121 | 0.92457 | 0.40823 | 0.60440 | 0.0446* | |
H21 | 0.17226 | 0.09905 | 0.24109 | 0.0461* | |
H21' | 0.26929 | 0.09350 | 0.25583 | 0.0461* | |
H21" | 0.20668 | 0.05523 | 0.27757 | 0.0461* | |
H22 | 0.15636 | 0.00517 | 0.18050 | 0.0592* | |
H22' | 0.10474 | 0.04852 | 0.16511 | 0.0592* | |
H210' | 0.19118 | 0.14225 | −0.07219 | 0.0276* | |
H23 | 0.08659 | 0.01069 | 0.07047 | 0.0644* | |
H23' | 0.17965 | −0.00648 | 0.06909 | 0.0644* | |
H211' | 0.25480 | 0.24981 | −0.18321 | 0.0404* | |
H24 | 0.10621 | 0.08493 | −0.05861 | 0.0488* | |
H24' | 0.05175 | 0.07776 | 0.01344 | 0.0488* | |
H24" | 0.06753 | 0.03800 | −0.04146 | 0.0488* | |
H211" | 0.20021 | 0.20659 | −0.19187 | 0.0404* | |
H25 | 0.21224 | 0.00661 | −0.04987 | 0.0593* | |
H25' | 0.23278 | 0.05527 | −0.07463 | 0.0593* | |
H212' | 0.37568 | 0.25694 | −0.07288 | 0.0492* | |
H26 | 0.35144 | 0.02926 | −0.04591 | 0.0664* | |
H26' | 0.31639 | 0.00267 | 0.02226 | 0.0664* | |
H212" | 0.40615 | 0.20839 | −0.05551 | 0.0492* | |
H27 | 0.42896 | 0.11365 | 0.04122 | 0.0465* | |
H27' | 0.40071 | 0.09692 | −0.03782 | 0.0465* | |
H27" | 0.46252 | 0.06810 | 0.01055 | 0.0465* | |
H213' | 0.17735 | 0.27209 | −0.05496 | 0.0471* | |
H28 | 0.40548 | 0.02253 | 0.10754 | 0.0838* | |
H28' | 0.39893 | 0.06984 | 0.14296 | 0.0838* | |
H213" | 0.18815 | 0.24679 | 0.02097 | 0.0471* | |
H29 | 0.32741 | 0.02981 | 0.21447 | 0.0603* | |
H29' | 0.28812 | 0.00211 | 0.14928 | 0.0603* | |
H214' | 0.28398 | 0.18370 | 0.17445 | 0.0303* | |
H215' | 0.55988 | 0.16179 | 0.19206 | 0.0546* | |
H215" | 0.52085 | 0.16134 | 0.11163 | 0.0546* | |
H216' | 0.49591 | 0.24456 | 0.22579 | 0.0673* | |
H216" | 0.39964 | 0.25666 | 0.22368 | 0.0673* | |
H217' | 0.44337 | 0.17903 | 0.32595 | 0.0670* | |
H217" | 0.40789 | 0.13281 | 0.30015 | 0.0670* | |
H218' | 0.06737 | 0.12398 | 0.13634 | 0.0261* | |
H219' | 0.09523 | 0.26886 | 0.20104 | 0.0428* | |
H219" | 0.09240 | 0.25574 | 0.11638 | 0.0428* | |
H220' | 0.09422 | 0.20156 | 0.31834 | 0.0487* | |
H220" | 0.17249 | 0.17753 | 0.28305 | 0.0487* | |
H221' | −0.05072 | 0.22241 | 0.24208 | 0.0578* | |
H221" | −0.06728 | 0.17284 | 0.21903 | 0.0578* | |
H210 | 0.28801 | 0.13451 | −0.07044 | 0.0276* | |
H211 | 0.29883 | 0.20394 | −0.19816 | 0.0404* | |
H212 | 0.36326 | 0.23692 | 0.00716 | 0.0492* | |
H213 | 0.12343 | 0.22945 | −0.03854 | 0.0471* | |
H214 | 0.33573 | 0.19025 | 0.10354 | 0.0303* | |
H215 | 0.50500 | 0.12126 | 0.16587 | 0.0546* | |
H216 | 0.44994 | 0.25078 | 0.14899 | 0.0673* | |
H217 | 0.34637 | 0.17313 | 0.31149 | 0.0670* | |
H218 | 0.06931 | 0.16035 | 0.07534 | 0.0261* | |
H219 | 0.17396 | 0.24649 | 0.16354 | 0.0428* | |
H220 | 0.08972 | 0.15065 | 0.29959 | 0.0487* | |
H221 | −0.06723 | 0.21035 | 0.15820 | 0.0578* | |
H31 | 0.24539 | 0.11602 | 0.77403 | 0.0404* | |
H31' | 0.31531 | 0.08480 | 0.74094 | 0.0404* | |
H31" | 0.22116 | 0.06876 | 0.74378 | 0.0404* | |
H32 | 0.32343 | 0.15986 | 0.69712 | 0.0295* | |
H32' | 0.26572 | 0.17518 | 0.63086 | 0.0295* | |
H33 | 0.39654 | 0.16786 | 0.58327 | 0.0286* | |
H33' | 0.40870 | 0.12102 | 0.62036 | 0.0286* | |
H34 | 0.44278 | 0.13222 | 0.47391 | 0.0418* | |
H34' | 0.38805 | 0.09509 | 0.43596 | 0.0418* | |
H34" | 0.44049 | 0.08416 | 0.50790 | 0.0418* | |
H35 | 0.31280 | 0.15849 | 0.44173 | 0.0275* | |
H35' | 0.27073 | 0.17517 | 0.51576 | 0.0275* | |
H36 | 0.16568 | 0.15066 | 0.44080 | 0.0246* | |
H36' | 0.21277 | 0.10578 | 0.42532 | 0.0246* | |
H37 | 0.04428 | 0.10762 | 0.47479 | 0.0491* | |
H37' | 0.05239 | 0.07126 | 0.53714 | 0.0491* | |
H37" | 0.09636 | 0.06417 | 0.45967 | 0.0491* | |
H38 | 0.07183 | 0.14527 | 0.57813 | 0.0282* | |
H38' | 0.16063 | 0.16788 | 0.57001 | 0.0282* | |
H39 | 0.14322 | 0.14864 | 0.69295 | 0.0266* | |
H39' | 0.12048 | 0.09952 | 0.67120 | 0.0266* | |
H310' | 0.30665 | 0.03375 | 0.42292 | 0.0291* | |
H311' | 0.26834 | −0.08217 | 0.31629 | 0.0455* | |
H311" | 0.30099 | −0.03427 | 0.29702 | 0.0455* | |
H312' | 0.20380 | −0.10555 | 0.45319 | 0.0533* | |
H312" | 0.14547 | −0.06438 | 0.46839 | 0.0533* | |
H313' | 0.38977 | −0.08951 | 0.43723 | 0.0649* | |
H313" | 0.39572 | −0.05331 | 0.50003 | 0.0649* | |
H314' | 0.19788 | −0.01583 | 0.65704 | 0.0336* | |
H315' | −0.07891 | −0.00289 | 0.66308 | 0.0564* | |
H315" | −0.02900 | 0.00494 | 0.58869 | 0.0564* | |
H316' | 0.00408 | −0.07322 | 0.73614 | 0.0497* | |
H316" | 0.10136 | −0.08111 | 0.72667 | 0.0497* | |
H317' | 0.02888 | 0.00686 | 0.81087 | 0.0534* | |
H317" | 0.06614 | 0.04991 | 0.77400 | 0.0534* | |
H318' | 0.41070 | 0.04955 | 0.65027 | 0.0303* | |
H319' | 0.37053 | −0.09616 | 0.70104 | 0.0544* | |
H319" | 0.39219 | −0.08456 | 0.61792 | 0.0544* | |
H320' | 0.38443 | −0.03210 | 0.81884 | 0.0721* | |
H320" | 0.30687 | −0.00725 | 0.78385 | 0.0721* | |
H321' | 0.52952 | −0.05711 | 0.73501 | 0.0658* | |
H321" | 0.54766 | −0.00612 | 0.72571 | 0.0658* | |
H310 | 0.20980 | 0.02628 | 0.42576 | 0.0291* | |
H311 | 0.20467 | −0.04229 | 0.31210 | 0.0455* | |
H312 | 0.21527 | −0.07760 | 0.52638 | 0.0533* | |
H313 | 0.42441 | −0.04193 | 0.41851 | 0.0649* | |
H314 | 0.14273 | −0.01371 | 0.58738 | 0.0336* | |
H315 | −0.03573 | 0.04318 | 0.64792 | 0.0564* | |
H316 | 0.04145 | −0.08388 | 0.65713 | 0.0497* | |
H317 | 0.12683 | 0.01216 | 0.80181 | 0.0534* | |
H318 | 0.42266 | 0.01689 | 0.58448 | 0.0303* | |
H319 | 0.30427 | −0.07120 | 0.65127 | 0.0544* | |
H320 | 0.38997 | 0.01900 | 0.80189 | 0.0721* | |
H321 | 0.54634 | −0.03724 | 0.65549 | 0.0658* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Y11 | 0.0183 (3) | 0.0133 (2) | 0.0164 (4) | −0.0007 (2) | 0.0019 (4) | −0.0005 (3) |
Si11 | 0.0161 (9) | 0.0193 (9) | 0.0197 (12) | 0.0012 (7) | 0.0012 (9) | 0.0019 (9) |
Si12 | 0.0167 (10) | 0.0233 (10) | 0.0199 (12) | −0.0003 (8) | 0.0017 (8) | −0.0015 (9) |
Si13 | 0.0260 (9) | 0.0197 (8) | 0.0188 (11) | 0.0014 (7) | −0.0024 (10) | −0.0029 (9) |
N11 | 0.022 (3) | 0.022 (3) | 0.039 (4) | 0.002 (2) | −0.011 (3) | −0.002 (3) |
N12 | 0.025 (3) | 0.015 (3) | 0.019 (4) | −0.003 (2) | 0.009 (3) | 0.005 (2) |
N13 | 0.029 (3) | 0.026 (3) | 0.034 (4) | −0.004 (3) | 0.007 (3) | 0.003 (3) |
C11 | 0.057 (6) | 0.028 (4) | 0.046 (6) | −0.001 (4) | −0.021 (5) | −0.013 (4) |
C12 | 0.038 (5) | 0.029 (4) | 0.097 (8) | 0.010 (4) | −0.022 (5) | −0.031 (4) |
C13 | 0.033 (4) | 0.034 (4) | 0.041 (6) | 0.015 (3) | −0.004 (4) | −0.012 (4) |
C14 | 0.027 (4) | 0.025 (4) | 0.050 (6) | 0.003 (3) | −0.006 (4) | 0.006 (4) |
C15 | 0.042 (5) | 0.039 (5) | 0.039 (6) | 0.006 (4) | 0.000 (4) | 0.004 (4) |
C16 | 0.043 (5) | 0.062 (5) | 0.046 (6) | −0.003 (4) | 0.013 (5) | 0.024 (5) |
C17 | 0.061 (5) | 0.036 (4) | 0.046 (6) | 0.007 (4) | 0.034 (5) | 0.006 (4) |
C18 | 0.051 (5) | 0.033 (4) | 0.069 (7) | −0.032 (4) | 0.021 (5) | −0.010 (5) |
C19 | 0.045 (5) | 0.045 (5) | 0.044 (6) | −0.022 (4) | −0.004 (5) | −0.001 (5) |
C110 | 0.021 (3) | 0.026 (3) | 0.020 (4) | 0.000 (3) | −0.005 (3) | −0.001 (3) |
C111 | 0.042 (5) | 0.026 (4) | 0.030 (5) | 0.000 (3) | −0.001 (4) | 0.002 (4) |
C112 | 0.025 (4) | 0.029 (4) | 0.037 (5) | −0.009 (3) | −0.003 (4) | −0.002 (3) |
C113 | 0.031 (4) | 0.032 (4) | 0.023 (4) | −0.003 (3) | 0.006 (3) | 0.002 (3) |
C114 | 0.024 (4) | 0.023 (4) | 0.030 (5) | −0.006 (3) | −0.003 (3) | 0.004 (3) |
C115 | 0.029 (4) | 0.026 (4) | 0.022 (4) | 0.003 (3) | −0.005 (3) | −0.002 (3) |
C116 | 0.026 (4) | 0.048 (5) | 0.029 (5) | −0.002 (3) | −0.001 (3) | −0.005 (4) |
C117 | 0.033 (4) | 0.037 (4) | 0.022 (5) | 0.004 (3) | −0.002 (3) | 0.003 (3) |
C118 | 0.028 (4) | 0.020 (3) | 0.018 (4) | 0.004 (3) | 0.002 (3) | 0.003 (3) |
C119 | 0.036 (4) | 0.014 (3) | 0.037 (5) | 0.005 (3) | −0.009 (4) | 0.000 (3) |
C120 | 0.027 (4) | 0.040 (4) | 0.031 (4) | 0.007 (3) | −0.006 (4) | 0.004 (3) |
C121 | 0.032 (4) | 0.015 (3) | 0.042 (5) | −0.008 (3) | 0.000 (4) | 0.001 (3) |
Y22 | 0.0205 (3) | 0.0134 (3) | 0.0156 (4) | −0.0002 (2) | 0.0007 (3) | 0.0000 (3) |
Si21 | 0.0269 (10) | 0.0189 (8) | 0.0194 (10) | 0.0015 (7) | 0.0005 (11) | −0.0005 (9) |
Si22 | 0.0198 (10) | 0.0227 (10) | 0.0241 (13) | −0.0051 (8) | −0.0039 (9) | −0.0017 (9) |
Si23 | 0.0239 (10) | 0.0188 (9) | 0.0179 (12) | −0.0019 (8) | 0.0001 (9) | −0.0045 (8) |
N21 | 0.030 (3) | 0.021 (3) | 0.025 (4) | 0.001 (3) | −0.005 (3) | 0.005 (3) |
N22 | 0.032 (3) | 0.017 (3) | 0.021 (4) | −0.002 (2) | −0.009 (3) | −0.001 (3) |
N23 | 0.029 (3) | 0.021 (3) | 0.027 (4) | −0.004 (3) | 0.003 (3) | 0.000 (3) |
C21 | 0.044 (4) | 0.030 (4) | 0.019 (4) | −0.007 (3) | 0.004 (4) | −0.003 (3) |
C22 | 0.068 (6) | 0.038 (5) | 0.042 (6) | −0.022 (4) | 0.002 (5) | 0.001 (4) |
C23 | 0.058 (5) | 0.055 (5) | 0.048 (6) | −0.037 (4) | −0.026 (5) | 0.020 (5) |
C24 | 0.027 (4) | 0.036 (4) | 0.034 (5) | −0.008 (3) | −0.006 (4) | −0.008 (4) |
C25 | 0.043 (5) | 0.054 (5) | 0.051 (6) | 0.015 (4) | −0.021 (5) | −0.037 (4) |
C26 | 0.048 (6) | 0.038 (5) | 0.081 (8) | −0.003 (4) | 0.016 (5) | −0.035 (5) |
C27 | 0.023 (4) | 0.031 (4) | 0.038 (5) | −0.003 (3) | 0.002 (4) | 0.003 (4) |
C28 | 0.031 (5) | 0.082 (7) | 0.096 (9) | 0.017 (5) | 0.002 (5) | 0.066 (7) |
C29 | 0.050 (6) | 0.064 (6) | 0.037 (6) | 0.030 (5) | 0.006 (5) | 0.016 (5) |
C210 | 0.027 (4) | 0.018 (3) | 0.024 (4) | 0.001 (3) | −0.002 (3) | −0.001 (3) |
C211 | 0.030 (4) | 0.032 (4) | 0.019 (4) | 0.004 (3) | 0.010 (4) | 0.002 (3) |
C212 | 0.040 (4) | 0.029 (4) | 0.029 (5) | −0.008 (3) | −0.005 (4) | 0.000 (3) |
C213 | 0.033 (4) | 0.021 (4) | 0.040 (5) | 0.005 (3) | 0.009 (4) | 0.002 (3) |
C214 | 0.034 (4) | 0.021 (3) | 0.021 (4) | −0.005 (3) | 0.001 (3) | 0.001 (3) |
C215 | 0.023 (4) | 0.034 (4) | 0.053 (6) | −0.004 (3) | −0.004 (4) | −0.010 (4) |
C216 | 0.040 (5) | 0.025 (4) | 0.071 (7) | −0.005 (3) | 0.003 (5) | −0.006 (4) |
C217 | 0.049 (5) | 0.052 (5) | 0.034 (5) | 0.004 (4) | −0.014 (4) | 0.003 (4) |
C218 | 0.015 (3) | 0.022 (3) | 0.028 (5) | −0.002 (3) | −0.006 (3) | 0.001 (3) |
C219 | 0.032 (4) | 0.025 (4) | 0.028 (5) | 0.001 (3) | 0.003 (4) | −0.002 (3) |
C220 | 0.050 (5) | 0.024 (4) | 0.023 (5) | −0.005 (3) | −0.006 (4) | −0.007 (3) |
C221 | 0.024 (4) | 0.048 (5) | 0.043 (6) | 0.003 (3) | 0.003 (4) | −0.013 (4) |
Y33 | 0.0165 (3) | 0.0131 (3) | 0.0153 (4) | −0.0009 (2) | 0.0009 (3) | −0.0004 (3) |
Si31 | 0.0329 (10) | 0.0167 (8) | 0.0208 (11) | 0.0021 (8) | 0.0004 (11) | −0.0026 (9) |
Si32 | 0.0232 (10) | 0.0218 (10) | 0.0243 (13) | −0.0035 (8) | −0.0001 (9) | 0.0012 (9) |
Si33 | 0.0267 (11) | 0.0225 (10) | 0.0205 (13) | 0.0005 (8) | −0.0026 (9) | 0.0036 (9) |
N31 | 0.027 (3) | 0.022 (3) | 0.012 (3) | −0.007 (2) | −0.004 (3) | −0.002 (2) |
N32 | 0.026 (3) | 0.016 (3) | 0.020 (4) | −0.002 (2) | 0.001 (3) | 0.009 (3) |
N33 | 0.020 (3) | 0.021 (3) | 0.024 (4) | 0.000 (2) | 0.002 (3) | −0.004 (3) |
C31 | 0.027 (4) | 0.029 (3) | 0.026 (4) | 0.001 (3) | −0.008 (3) | 0.002 (3) |
C32 | 0.033 (4) | 0.017 (3) | 0.023 (4) | −0.013 (3) | −0.005 (3) | −0.004 (3) |
C33 | 0.031 (4) | 0.023 (4) | 0.018 (5) | −0.006 (3) | 0.005 (3) | 0.002 (3) |
C34 | 0.029 (4) | 0.022 (4) | 0.033 (5) | 0.000 (3) | 0.013 (4) | 0.002 (3) |
C35 | 0.032 (4) | 0.019 (3) | 0.017 (4) | 0.002 (3) | 0.011 (3) | 0.007 (3) |
C36 | 0.031 (4) | 0.021 (3) | 0.010 (4) | 0.002 (3) | −0.003 (3) | 0.005 (3) |
C37 | 0.029 (4) | 0.034 (4) | 0.036 (5) | 0.000 (3) | −0.005 (4) | −0.006 (4) |
C38 | 0.019 (3) | 0.020 (3) | 0.032 (5) | 0.004 (2) | −0.003 (3) | 0.002 (3) |
C39 | 0.026 (4) | 0.012 (3) | 0.028 (4) | 0.006 (3) | 0.010 (3) | −0.005 (3) |
C310 | 0.026 (4) | 0.028 (4) | 0.019 (4) | 0.001 (3) | 0.001 (3) | −0.001 (3) |
C311 | 0.032 (4) | 0.027 (4) | 0.031 (5) | −0.002 (3) | 0.001 (4) | −0.003 (3) |
C312 | 0.049 (5) | 0.025 (4) | 0.033 (5) | −0.002 (3) | 0.007 (4) | 0.000 (3) |
C313 | 0.047 (5) | 0.046 (5) | 0.037 (5) | 0.010 (4) | −0.015 (4) | 0.000 (4) |
C314 | 0.028 (4) | 0.019 (3) | 0.037 (5) | 0.003 (3) | 0.002 (3) | −0.005 (3) |
C315 | 0.025 (4) | 0.042 (5) | 0.046 (6) | 0.000 (3) | 0.000 (4) | 0.002 (4) |
C316 | 0.038 (4) | 0.026 (4) | 0.035 (5) | −0.007 (3) | 0.002 (4) | 0.001 (4) |
C317 | 0.046 (5) | 0.034 (4) | 0.027 (5) | −0.008 (4) | 0.006 (4) | −0.001 (3) |
C318 | 0.028 (4) | 0.024 (4) | 0.023 (5) | 0.002 (3) | 0.006 (3) | 0.000 (3) |
C319 | 0.042 (5) | 0.028 (4) | 0.039 (6) | 0.001 (3) | −0.007 (4) | 0.003 (4) |
C320 | 0.081 (7) | 0.034 (5) | 0.029 (5) | 0.000 (4) | 0.001 (5) | 0.016 (4) |
C321 | 0.041 (5) | 0.039 (5) | 0.052 (6) | 0.003 (4) | −0.015 (4) | 0.014 (4) |
Y11—N11 | 2.606 (5) | C117—H117' | 0.9802 |
Y11—N12 | 2.612 (5) | C118—H118 | 0.9908 |
Y11—N13 | 2.587 (5) | C118—H118' | 0.9902 |
Y11—C110 | 2.422 (6) | C119—H119 | 0.9795 |
Y11—C114 | 2.449 (6) | C119—H119' | 0.9802 |
Y11—C118 | 2.412 (6) | C119—H119" | 0.9805 |
Y22—N21 | 2.572 (5) | C120—H120 | 0.9800 |
Y22—N22 | 2.628 (5) | C120—H120' | 0.9799 |
Y22—N23 | 2.594 (5) | C120—H120" | 0.9807 |
Y22—C210 | 2.450 (7) | C121—H121 | 0.9804 |
Y22—C214 | 2.383 (7) | C121—H121" | 0.9802 |
Y22—C218 | 2.451 (7) | C121—H121' | 0.9797 |
Y33—N33 | 2.603 (5) | C22—C23 | 1.389 (13) |
Y33—C310 | 2.461 (6) | C25—C26 | 1.433 (12) |
Y33—C314 | 2.382 (7) | C28—C29 | 1.425 (13) |
Y33—C318 | 2.419 (7) | C21—H21" | 0.9795 |
Y33—N32 | 2.624 (5) | C21—H21' | 0.9800 |
Y33—N31 | 2.576 (5) | C21—H21 | 0.9794 |
Si11—C113 | 1.877 (8) | C22—H22 | 0.9890 |
Si11—C112 | 1.881 (7) | C22—H22' | 0.9901 |
Si11—C110 | 1.848 (7) | C23—H23 | 0.9901 |
Si11—C111 | 1.884 (7) | C23—H23' | 0.9901 |
Si12—C115 | 1.885 (6) | C24—H24' | 0.9796 |
Si12—C117 | 1.868 (7) | C24—H24" | 0.9805 |
Si12—C114 | 1.840 (7) | C24—H24 | 0.9791 |
Si12—C116 | 1.865 (7) | C25—H25 | 0.9910 |
Si13—C120 | 1.870 (7) | C25—H25' | 0.9898 |
Si13—C121 | 1.901 (6) | C26—H26 | 0.9911 |
Si13—C119 | 1.874 (7) | C26—H26' | 0.9899 |
Si13—C118 | 1.835 (6) | C27—H27" | 0.9796 |
Si21—C210 | 1.847 (6) | C27—H27' | 0.9798 |
Si21—C212 | 1.873 (7) | C27—H27 | 0.9799 |
Si21—C213 | 1.868 (7) | C28—H28 | 0.9894 |
Si21—C211 | 1.864 (6) | C28—H28' | 0.9899 |
Si22—C216 | 1.884 (7) | C29—H29 | 0.9894 |
Si22—C217 | 1.860 (8) | C29—H29' | 0.9895 |
Si22—C214 | 1.827 (7) | C32—C33 | 1.517 (10) |
Si22—C215 | 1.873 (7) | C35—C36 | 1.519 (9) |
Si23—C218 | 1.852 (7) | C38—C39 | 1.531 (10) |
Si23—C221 | 1.880 (7) | C210—H210 | 0.9896 |
Si23—C219 | 1.877 (7) | C210—H210' | 0.9910 |
Si23—C220 | 1.883 (8) | C211—H211 | 0.9792 |
Si31—C312 | 1.884 (7) | C211—H211' | 0.9803 |
Si31—C310 | 1.830 (6) | C211—H211" | 0.9803 |
Si31—C313 | 1.863 (7) | C212—H212 | 0.9808 |
Si31—C311 | 1.882 (8) | C212—H212' | 0.9800 |
Si32—C317 | 1.893 (7) | C212—H212" | 0.9796 |
Si32—C316 | 1.895 (6) | C213—H213' | 0.9790 |
Si32—C314 | 1.832 (7) | C213—H213" | 0.9807 |
Si32—C315 | 1.894 (7) | C213—H213 | 0.9801 |
Si33—C318 | 1.842 (7) | C214—H214' | 0.9895 |
Si33—C321 | 1.887 (7) | C214—H214 | 0.9907 |
Si33—C319 | 1.868 (7) | C215—H215 | 0.9818 |
Si33—C320 | 1.862 (8) | C215—H215' | 0.9796 |
N11—C12 | 1.511 (9) | C215—H215" | 0.9790 |
N11—C19 | 1.498 (10) | C216—H216' | 0.9802 |
N11—C11 | 1.433 (9) | C216—H216" | 0.9800 |
N12—C13 | 1.496 (10) | C216—H216 | 0.9798 |
N12—C14 | 1.485 (8) | C217—H217' | 0.9797 |
N12—C15 | 1.471 (9) | C217—H217" | 0.9807 |
N13—C18 | 1.467 (10) | C217—H217 | 0.9791 |
N13—C17 | 1.498 (9) | C218—H218 | 0.9897 |
N13—C16 | 1.486 (9) | C218—H218' | 0.9916 |
N21—C29 | 1.471 (10) | C219—H219 | 0.9795 |
N21—C21 | 1.491 (9) | C219—H219' | 0.9806 |
N21—C22 | 1.488 (10) | C219—H219" | 0.9805 |
N22—C25 | 1.517 (10) | C220—H220 | 0.9802 |
N22—C24 | 1.449 (8) | C220—H220' | 0.9795 |
N22—C23 | 1.493 (11) | C220—H220" | 0.9804 |
N23—C26 | 1.467 (11) | C221—H221 | 0.9809 |
N23—C27 | 1.493 (8) | C221—H221' | 0.9804 |
N23—C28 | 1.464 (12) | C221—H221" | 0.9791 |
N31—C31 | 1.477 (9) | C31—H31 | 0.9799 |
N31—C39 | 1.474 (8) | C31—H31' | 0.9807 |
N31—C32 | 1.490 (8) | C31—H31" | 0.9794 |
N32—C35 | 1.485 (8) | C32—H32 | 0.9907 |
N32—C33 | 1.490 (9) | C32—H32' | 0.9883 |
N32—C34 | 1.482 (8) | C33—H33 | 0.9885 |
N33—C37 | 1.463 (8) | C33—H33' | 0.9910 |
N33—C36 | 1.487 (8) | C34—H34 | 0.9795 |
N33—C38 | 1.488 (8) | C34—H34' | 0.9794 |
C12—C13 | 1.445 (10) | C34—H34" | 0.9807 |
C15—C16 | 1.473 (11) | C35—H35 | 0.9904 |
C18—C19 | 1.463 (13) | C35—H35' | 0.9912 |
C11—H11" | 0.9803 | C36—H36 | 0.9899 |
C11—H11 | 0.9804 | C36—H36' | 0.9891 |
C11—H11' | 0.9795 | C37—H37 | 0.9801 |
C12—H12' | 0.9893 | C37—H37' | 0.9799 |
C12—H12 | 0.9902 | C37—H37" | 0.9801 |
C13—H13' | 0.9900 | C38—H38 | 0.9901 |
C13—H13 | 0.9907 | C38—H38' | 0.9900 |
C14—H14 | 0.9812 | C39—H39 | 0.9900 |
C14—H14' | 0.9802 | C39—H39' | 0.9899 |
C14—H14" | 0.9787 | C310—H310' | 0.9897 |
C15—H15 | 0.9891 | C310—H310 | 0.9899 |
C15—H15' | 0.9893 | C311—H311' | 0.9792 |
C16—H16' | 0.9897 | C311—H311" | 0.9801 |
C16—H16 | 0.9913 | C311—H311 | 0.9798 |
C17—H17" | 0.9801 | C312—H312' | 0.9803 |
C17—H17' | 0.9789 | C312—H312" | 0.9800 |
C17—H17 | 0.9801 | C312—H312 | 0.9794 |
C18—H18 | 0.9892 | C313—H313' | 0.9809 |
C18—H18' | 0.9902 | C313—H313" | 0.9804 |
C19—H19' | 0.9888 | C313—H313 | 0.9785 |
C19—H19 | 0.9911 | C314—H314' | 0.9905 |
C110—H110 | 0.9898 | C314—H314 | 0.9903 |
C110—H110' | 0.9899 | C315—H315' | 0.9794 |
C111—H111' | 0.9802 | C315—H315" | 0.9807 |
C111—H111 | 0.9802 | C315—H315 | 0.9796 |
C111—H111" | 0.9809 | C316—H316' | 0.9794 |
C112—H112 | 0.9803 | C316—H316" | 0.9803 |
C112—H112' | 0.9800 | C316—H316 | 0.9801 |
C112—H112" | 0.9804 | C317—H317' | 0.9793 |
C113—H113 | 0.9810 | C317—H317" | 0.9808 |
C113—H113' | 0.9787 | C317—H317 | 0.9806 |
C113—H113" | 0.9808 | C318—H318' | 0.9895 |
C114—H114 | 0.9907 | C318—H318 | 0.9896 |
C114—H114' | 0.9891 | C319—H319' | 0.9802 |
C115—H115 | 0.9794 | C319—H319" | 0.9807 |
C115—H115' | 0.9807 | C319—H319 | 0.9796 |
C115—H115" | 0.9804 | C320—H320' | 0.9801 |
C116—H116' | 0.9790 | C320—H320" | 0.9800 |
C116—H116 | 0.9801 | C320—H320 | 0.9790 |
C116—H116" | 0.9807 | C321—H321' | 0.9792 |
C117—H117 | 0.9800 | C321—H321" | 0.9809 |
C117—H117" | 0.9807 | C321—H321 | 0.9796 |
Y11···H111" | 3.9157 | H25'···H210 | 2.5903 |
Si11···H118' | 3.4860 | H25'···C210 | 2.9901 |
Si13···H17' | 3.3306 | H25'···H24 | 2.2583 |
Si23···H21 | 3.4137 | H26···H27' | 2.2277 |
Si23···H214' | 3.4442 | H26···H27" | 2.3890 |
Si32···H39' | 3.4386 | H26'···H28 | 2.2080 |
Si33···H314' | 3.4457 | H26'···C23 | 2.9974 |
C17···C215i | 3.596 (10) | H26'···H29' | 2.3680 |
C12···H18 | 2.9264 | H26'···C119iii | 2.9504 |
C12···H15' | 2.7935 | H26'···H119iii | 2.5617 |
C13···H110 | 3.0424 | H26'···C29 | 2.7608 |
C14···H213ii | 3.0424 | H26'···H23' | 2.3874 |
C15···H12 | 2.9985 | H26'···H119'iii | 2.4780 |
C15···H18 | 2.7424 | H27···H215 | 2.6000 |
C16···H118 | 2.9899 | H27···C214 | 3.0266 |
C17···H215"i | 3.0015 | H27···H215" | 2.4499 |
C18···H15' | 2.9711 | H27···C215 | 2.8622 |
C18···H12 | 2.7674 | H27···H28' | 2.3462 |
C19···H114 | 3.0575 | H27'···C210 | 3.0524 |
C23···H29' | 2.7125 | H27'···H116"iv | 2.3385 |
C23···H26' | 2.9974 | H27'···H26 | 2.2277 |
C24···H210' | 3.0359 | H27'···H210 | 2.2367 |
C26···H29' | 2.9634 | H27"···H28 | 2.4397 |
C26···H119'iii | 3.0133 | H27"···H26 | 2.3890 |
C26···H23' | 2.7822 | H213'···H35'iv | 2.5624 |
C27···H210 | 2.9202 | H213'···C35iv | 3.0540 |
C29···H26' | 2.7608 | H213'···H36iv | 2.3782 |
C29···H23' | 2.9110 | H28···H26' | 2.2080 |
C32···H35' | 2.6078 | H28···H27" | 2.4397 |
C32···H38' | 2.7214 | H28'···H321'viii | 2.5434 |
C33···H318' | 3.0376 | H28'···H215 | 2.3668 |
C34···H310' | 2.9783 | H28'···H27 | 2.3462 |
C35···H213'i | 3.0540 | H213"···C219 | 2.8938 |
C35···H32' | 2.7829 | H213"···H219" | 2.3492 |
C35···H38' | 2.5671 | H29···C321viii | 2.8685 |
C37···H310 | 3.0584 | H29···H321"viii | 2.4084 |
C38···H35' | 2.7544 | H29···H21' | 2.2960 |
C38···H32' | 2.5817 | H29···H21" | 2.3980 |
C110···H11' | 3.0507 | H29···H311" | 2.5151 |
C110···H14' | 3.0428 | H29'···H22 | 2.2073 |
C112···H14' | 2.9359 | H29'···H23' | 2.3004 |
C114···H17 | 3.0878 | H29'···H26' | 2.3680 |
C114···H11" | 2.9240 | H29'···C26 | 2.9634 |
C115···H119 | 3.0307 | H29'···C23 | 2.7125 |
C215···C17iv | 3.596 (10) | H214'···Si23 | 3.4442 |
C117···H110' | 3.0939 | H215'···H11 | 2.4801 |
C118···H16 | 3.0134 | H215'···H120iv | 2.4648 |
C118···H17' | 3.0215 | H31···H32 | 2.3195 |
C118···H14 | 2.9466 | H31···H39 | 2.4341 |
C119···H26'v | 2.9504 | H31'···H318' | 2.5098 |
C120···H17' | 3.0228 | H31'···C318 | 3.0389 |
C121···H25v | 3.0016 | H31'···H116'i | 2.5744 |
C210···H24 | 3.0087 | H31'···H32 | 2.4413 |
C210···H27' | 3.0524 | H31"···C314 | 3.0466 |
C210···H25' | 2.9901 | H31"···C317 | 2.9269 |
C212···H214 | 3.0206 | H31"···H317 | 2.5430 |
C213···H219" | 3.0578 | H31"···H39' | 2.3018 |
C213···H35'iv | 3.0430 | H215"···C17iv | 3.0015 |
C214···H27 | 3.0266 | H215"···H27 | 2.4499 |
C215···H27 | 2.8622 | H215"···H17iv | 2.5797 |
C217···H35 | 3.0432 | H32···H31 | 2.3195 |
C218···H21 | 2.9684 | H32···H31' | 2.4413 |
C218···H24' | 3.0552 | H32···H211xiii | 2.3781 |
C219···H213" | 2.8938 | H32'···C38 | 2.5817 |
C220···H21 | 2.7508 | H32'···C35 | 2.7829 |
C221···H120"vi | 2.9675 | H32'···H39 | 2.4239 |
C221···H13vii | 3.0914 | H32'···H35' | 2.1068 |
C310···H37" | 3.0482 | H32'···H38' | 2.0426 |
C310···H36' | 2.8530 | H33···H34 | 2.3992 |
C311···H111iii | 3.0510 | H33···H35' | 2.3891 |
C312···H314 | 2.9753 | H33'···H34" | 2.4029 |
C312···H15'viii | 3.0612 | H33'···C318 | 3.0177 |
C313···H34"viii | 3.0448 | H33'···H318' | 2.2596 |
C314···H39' | 3.0975 | H216"···H211i | 2.4823 |
C314···H31" | 3.0466 | H34···H33 | 2.3992 |
C315···H37' | 2.9637 | H34···H35 | 2.3256 |
C315···H311ix | 3.0825 | H34'···H310' | 2.3081 |
C317···H31" | 2.9269 | H34'···H35 | 2.2961 |
C318···H34" | 2.9938 | H34"···C318 | 2.9938 |
C318···H33' | 3.0177 | H34"···H33' | 2.4029 |
C318···H31' | 3.0389 | H34"···C313viii | 3.0448 |
C319···H313" | 3.0787 | H34"···H318 | 2.5105 |
C321···H29viii | 2.8685 | H35···C217 | 3.0432 |
H110'···C117 | 3.0939 | H35···H34' | 2.2961 |
H110'···H117 | 2.3050 | H35···H217 | 2.4843 |
H111"···H118' | 2.4978 | H35···H34 | 2.3256 |
H111"···Y11 | 3.9157 | H35'···H213'i | 2.5624 |
H112"···H14' | 2.5515 | H35'···C38 | 2.7544 |
H113'···H39'x | 2.5720 | H35'···H32' | 2.1068 |
H113'···H315x | 2.4885 | H35'···H33 | 2.3891 |
H114'···H119" | 2.5828 | H35'···H38' | 2.0503 |
H115"···H111 | 2.3665 | H35'···C213i | 3.0430 |
H11···H215' | 2.4801 | H35'···C32 | 2.6078 |
H11···H19' | 2.4400 | H36···H38' | 2.4230 |
H11···H12' | 2.3050 | H36···H213'i | 2.3782 |
H11'···H12' | 2.2771 | H36···H37 | 2.4456 |
H11'···C110 | 3.0507 | H36'···H37" | 2.3591 |
H11"···C114 | 2.9240 | H36'···H310 | 2.4389 |
H11"···H114 | 2.4281 | H36'···C310 | 2.8530 |
H11"···H19 | 2.3010 | H218'···H121vi | 2.5775 |
H116'···H31'iv | 2.5744 | H218'···H22' | 2.4492 |
H12···H15' | 2.4031 | H37···H36 | 2.4456 |
H12···H19' | 2.3116 | H37···H38 | 2.2591 |
H12···C18 | 2.7674 | H37'···H315" | 2.5998 |
H12···H18 | 2.3287 | H37'···C315 | 2.9637 |
H12···C15 | 2.9985 | H37'···H38 | 2.4111 |
H12'···H11 | 2.3050 | H37"···H315"ix | 2.5417 |
H12'···H11' | 2.2771 | H37"···H36' | 2.3591 |
H116"···H27'i | 2.3385 | H37"···H310 | 2.2580 |
H13···H110 | 2.3102 | H37"···C310 | 3.0482 |
H13···H221'xi | 2.4363 | H38···H37' | 2.4111 |
H13···H14' | 2.2417 | H38···H37 | 2.2591 |
H13···C221xi | 3.0914 | H38'···C35 | 2.5671 |
H13'···H14" | 2.4533 | H38'···H32' | 2.0426 |
H13'···H15' | 2.2641 | H38'···H36 | 2.4230 |
H14···H15 | 2.3031 | H38'···H35' | 2.0503 |
H14···H118 | 2.4045 | H38'···C32 | 2.7214 |
H14···C118 | 2.9466 | H219"···H213" | 2.3492 |
H14'···C112 | 2.9359 | H219"···C213 | 3.0578 |
H14'···H112" | 2.5515 | H39···H32' | 2.4239 |
H14'···C110 | 3.0428 | H39···H31 | 2.4341 |
H14'···H13 | 2.2417 | H39'···H317" | 2.5737 |
H14'···H110 | 2.5498 | H39'···H113'xiv | 2.5720 |
H14"···H15 | 2.2383 | H39'···H31" | 2.3018 |
H14"···H13' | 2.4533 | H39'···C314 | 3.0975 |
H15···H14 | 2.3031 | H39'···Si32 | 3.4386 |
H15···H14" | 2.2383 | H220"···H21 | 2.5265 |
H15'···C18 | 2.9711 | H221'···H13vii | 2.4363 |
H15'···C312viii | 3.0612 | H221'···H110vii | 2.4733 |
H15'···C12 | 2.7935 | H221"···H120"vi | 2.2802 |
H15'···H18 | 2.3386 | H310'···H34' | 2.3081 |
H15'···H12 | 2.4031 | H310'···C34 | 2.9783 |
H15'···H312'viii | 2.2160 | H311'···H117iii | 2.5968 |
H15'···H13' | 2.2641 | H311"···H29 | 2.5151 |
H118'···H111" | 2.4978 | H312'···H15'viii | 2.2160 |
H118'···Si11 | 3.4860 | H313"···C319 | 3.0787 |
H16···C118 | 3.0134 | H313"···H319" | 2.3604 |
H16···H118 | 2.2616 | H314'···H319 | 2.4193 |
H16···H17' | 2.3383 | H314'···Si33 | 3.4457 |
H16'···H17" | 2.4891 | H315'···H311ix | 2.5019 |
H16'···H18 | 2.2775 | H315"···H37"ix | 2.5417 |
H119'···H26'v | 2.4780 | H315"···H37' | 2.5998 |
H119'···C26v | 3.0133 | H317"···H39' | 2.5737 |
H17···C114 | 3.0878 | H318'···C33 | 3.0376 |
H17···H215"i | 2.5797 | H318'···H33' | 2.2596 |
H17···H18' | 2.3157 | H318'···H31' | 2.5098 |
H17'···C120 | 3.0228 | H319"···H313" | 2.3604 |
H17'···H16 | 2.3383 | H321'···H28'viii | 2.5434 |
H17'···C118 | 3.0215 | H321"···H29viii | 2.4084 |
H17'···H120 | 2.2741 | H110···C13 | 3.0424 |
H17'···Si13 | 3.3306 | H110···H13 | 2.3102 |
H17"···H16' | 2.4891 | H110···H14' | 2.5498 |
H17"···H18' | 2.3507 | H110···H221'xi | 2.4733 |
H119"···H114' | 2.5828 | H111···C311v | 3.0511 |
H18···H16' | 2.2775 | H111···H115" | 2.3665 |
H18···H12 | 2.3287 | H114···C19 | 3.0575 |
H18···C12 | 2.9264 | H114···H11" | 2.4281 |
H18···C15 | 2.7424 | H114···H19 | 2.3127 |
H18···H15' | 2.3386 | H115···H119 | 2.5619 |
H18'···H17" | 2.3507 | H116···H211i | 2.5795 |
H18'···H17 | 2.3157 | H117···H110' | 2.3050 |
H19···H11" | 2.3010 | H117···H311'v | 2.5968 |
H19···H114 | 2.3127 | H118···C16 | 2.9899 |
H19'···H11 | 2.4400 | H118···H14 | 2.4045 |
H19'···H12 | 2.3116 | H118···H221ii | 2.5481 |
H120"···C221ii | 2.9675 | H118···H16 | 2.2616 |
H120"···H221"ii | 2.2802 | H119···H26'v | 2.5617 |
H121'···H317xii | 2.5244 | H119···C115 | 3.0307 |
H121'···H25v | 2.4834 | H119···H115 | 2.5619 |
H21···C218 | 2.9684 | H120···H215'i | 2.4648 |
H21···Si23 | 3.4137 | H120···H17' | 2.2741 |
H21···H220" | 2.5265 | H121···H218'ii | 2.5775 |
H21···H220 | 2.3305 | H210···H27' | 2.2367 |
H21···C220 | 2.7508 | H210···C27 | 2.9202 |
H21···H22' | 2.3501 | H210···H25' | 2.5903 |
H21'···H29 | 2.2960 | H211···H216"iv | 2.4823 |
H21"···H29 | 2.3980 | H211···H116iv | 2.5795 |
H21"···H22 | 2.4839 | H211···H32xv | 2.3781 |
H22···H21" | 2.4839 | H212···H214 | 2.3142 |
H22···H29' | 2.2073 | H213···C14vi | 3.0424 |
H22'···H21 | 2.3501 | H214···C212 | 3.0206 |
H22'···H218' | 2.4492 | H214···H212 | 2.3142 |
H210'···C24 | 3.0359 | H215···H28' | 2.3668 |
H210'···H24 | 2.2449 | H215···H27 | 2.6000 |
H23···H24" | 2.2331 | H217···H35 | 2.4843 |
H23···H24' | 2.3741 | H220···H21 | 2.3305 |
H23'···H26' | 2.3874 | H221···H118vi | 2.5481 |
H23'···C26 | 2.7822 | H310···C37 | 3.0584 |
H23'···C29 | 2.9110 | H310···H36' | 2.4389 |
H23'···H25 | 2.2746 | H310···H37" | 2.2580 |
H23'···H29' | 2.3004 | H311···C315ix | 3.0825 |
H24···C210 | 3.0087 | H311···H315'ix | 2.5019 |
H24···H210' | 2.2449 | H312···H314 | 2.5419 |
H24···H25' | 2.2583 | H313···H318viii | 2.5891 |
H24'···H23 | 2.3741 | H314···C312 | 2.9753 |
H24'···C218 | 3.0552 | H314···H312 | 2.5419 |
H24"···H25 | 2.5342 | H315···H113'xiv | 2.4885 |
H24"···H23 | 2.2331 | H317···H31" | 2.5430 |
H25···C121iii | 3.0016 | H317···H121'xvi | 2.5244 |
H25···H23' | 2.2746 | H318···H34" | 2.5105 |
H25···H24" | 2.5342 | H318···H313viii | 2.5891 |
H25···H121'iii | 2.4834 | H319···H314' | 2.4193 |
N11—Y11—N12 | 67.76 (16) | Si13—C119—H119' | 109.48 |
N11—Y11—N13 | 67.00 (17) | H120'—C120—H120 | 109.50 |
N11—Y11—C110 | 92.91 (19) | Si13—C120—H120" | 109.47 |
N11—Y11—C114 | 90.06 (18) | Si13—C120—H120 | 109.51 |
N11—Y11—C118 | 152.94 (18) | H120'—C120—H120" | 109.42 |
N12—Y11—N13 | 67.84 (16) | H120"—C120—H120 | 109.41 |
N12—Y11—C110 | 89.88 (19) | Si13—C120—H120' | 109.51 |
N12—Y11—C114 | 155.19 (18) | Si13—C121—H121' | 109.52 |
N12—Y11—C118 | 89.23 (18) | Si13—C121—H121" | 109.48 |
N13—Y11—C110 | 154.07 (19) | H121'—C121—H121" | 109.47 |
N13—Y11—C114 | 93.88 (19) | H121'—C121—H121 | 109.48 |
N13—Y11—C118 | 91.75 (18) | Si13—C121—H121 | 109.47 |
C110—Y11—C114 | 102.7 (2) | H121"—C121—H121 | 109.41 |
C110—Y11—C118 | 101.4 (2) | N21—C22—C23 | 116.6 (7) |
C114—Y11—C118 | 108.7 (2) | N22—C23—C22 | 117.4 (8) |
N23—Y22—C218 | 156.74 (19) | N22—C25—C26 | 116.8 (7) |
C210—Y22—C214 | 102.3 (2) | N23—C26—C25 | 117.2 (7) |
C210—Y22—C218 | 103.8 (2) | N23—C28—C29 | 118.5 (7) |
C214—Y22—C218 | 101.5 (2) | N21—C29—C28 | 116.0 (7) |
N21—Y22—N22 | 67.43 (17) | H21—C21—H21" | 109.56 |
N21—Y22—N23 | 68.52 (17) | N21—C21—H21 | 109.41 |
N21—Y22—C210 | 150.46 (18) | N21—C21—H21' | 109.40 |
N21—Y22—C214 | 98.4 (2) | N21—C21—H21" | 109.44 |
N21—Y22—C218 | 92.39 (19) | H21—C21—H21' | 109.52 |
N22—Y22—N23 | 68.14 (16) | H21'—C21—H21" | 109.50 |
N22—Y22—C210 | 87.01 (18) | C23—C22—H22 | 108.19 |
N22—Y22—C214 | 160.45 (19) | C23—C22—H22' | 108.12 |
N22—Y22—C218 | 92.75 (19) | N21—C22—H22 | 108.17 |
N23—Y22—C210 | 88.84 (19) | H22—C22—H22' | 107.37 |
N23—Y22—C214 | 94.58 (19) | N21—C22—H22' | 108.08 |
N33—Y33—C314 | 96.86 (19) | C22—C23—H23 | 107.97 |
N33—Y33—C318 | 155.25 (19) | N22—C23—H23 | 107.96 |
C310—Y33—C314 | 101.6 (2) | C22—C23—H23' | 107.96 |
C310—Y33—C318 | 103.1 (2) | H23—C23—H23' | 107.21 |
N32—Y33—N33 | 68.66 (15) | N22—C23—H23' | 107.97 |
N32—Y33—C310 | 91.28 (18) | H24—C24—H24" | 109.51 |
N31—Y33—N32 | 67.66 (16) | N22—C24—H24' | 109.43 |
N31—Y33—N33 | 68.51 (17) | N22—C24—H24" | 109.37 |
N31—Y33—C310 | 152.75 (18) | H24—C24—H24' | 109.58 |
N31—Y33—C314 | 95.3 (2) | N22—C24—H24 | 109.47 |
N31—Y33—C318 | 93.9 (2) | H24'—C24—H24" | 109.46 |
N32—Y33—C318 | 88.88 (19) | C26—C25—H25 | 108.07 |
N33—Y33—C310 | 88.19 (19) | H25—C25—H25' | 107.23 |
N32—Y33—C314 | 160.47 (19) | N22—C25—H25' | 108.16 |
C314—Y33—C318 | 102.2 (2) | N22—C25—H25 | 108.09 |
C111—Si11—C112 | 108.4 (3) | C26—C25—H25' | 108.16 |
C110—Si11—C111 | 111.8 (3) | C25—C26—H26 | 107.97 |
C110—Si11—C112 | 112.0 (3) | C25—C26—H26' | 108.06 |
C111—Si11—C113 | 105.6 (3) | H26—C26—H26' | 107.17 |
C112—Si11—C113 | 106.0 (3) | N23—C26—H26' | 108.05 |
C110—Si11—C113 | 112.7 (3) | N23—C26—H26 | 108.02 |
C116—Si12—C117 | 103.0 (3) | H27—C27—H27' | 109.50 |
C115—Si12—C117 | 107.9 (3) | N23—C27—H27 | 109.41 |
C114—Si12—C116 | 115.4 (3) | N23—C27—H27' | 109.43 |
C114—Si12—C117 | 112.8 (3) | N23—C27—H27" | 109.44 |
C115—Si12—C116 | 105.5 (3) | H27'—C27—H27" | 109.53 |
C114—Si12—C115 | 111.6 (3) | H27—C27—H27" | 109.52 |
C120—Si13—C121 | 105.9 (3) | H28—C28—H28' | 107.15 |
C118—Si13—C119 | 111.7 (3) | N23—C28—H28' | 107.67 |
C118—Si13—C120 | 112.9 (3) | C29—C28—H28' | 107.68 |
C119—Si13—C120 | 106.9 (3) | C29—C28—H28 | 107.67 |
C119—Si13—C121 | 107.0 (3) | N23—C28—H28 | 107.71 |
C118—Si13—C121 | 112.0 (3) | C28—C29—H29' | 108.30 |
C210—Si21—C212 | 113.7 (3) | H29—C29—H29' | 107.47 |
C210—Si21—C211 | 113.3 (3) | N21—C29—H29' | 108.22 |
C211—Si21—C212 | 105.5 (3) | C28—C29—H29 | 108.31 |
C211—Si21—C213 | 105.4 (3) | N21—C29—H29 | 108.28 |
C212—Si21—C213 | 109.1 (3) | Y22—C210—Si21 | 126.0 (3) |
C210—Si21—C213 | 109.4 (3) | Y22—C214—Si22 | 154.8 (3) |
C214—Si22—C216 | 112.5 (3) | Y22—C218—Si23 | 130.6 (3) |
C214—Si22—C215 | 112.6 (3) | N31—C32—C33 | 113.1 (5) |
C215—Si22—C216 | 104.6 (3) | N32—C33—C32 | 112.0 (5) |
C214—Si22—C217 | 111.7 (3) | N32—C35—C36 | 113.2 (5) |
C216—Si22—C217 | 106.2 (4) | N33—C36—C35 | 113.8 (5) |
C215—Si22—C217 | 108.7 (4) | N33—C38—C39 | 111.9 (5) |
C218—Si23—C221 | 114.0 (4) | N31—C39—C38 | 111.9 (5) |
C219—Si23—C220 | 107.4 (3) | Si21—C210—H210' | 105.77 |
C218—Si23—C219 | 112.2 (3) | Y22—C210—H210 | 105.87 |
C218—Si23—C220 | 113.7 (3) | Si21—C210—H210 | 105.84 |
C219—Si23—C221 | 105.1 (4) | H210'—C210—H210 | 106.15 |
C220—Si23—C221 | 103.7 (4) | Y22—C210—H210' | 105.82 |
C312—Si31—C313 | 109.0 (3) | Si21—C211—H211' | 109.44 |
C311—Si31—C312 | 104.8 (3) | Si21—C211—H211 | 109.50 |
C311—Si31—C313 | 106.8 (3) | H211'—C211—H211" | 109.42 |
C310—Si31—C312 | 112.0 (3) | H211'—C211—H211 | 109.51 |
C310—Si31—C313 | 111.5 (3) | H211"—C211—H211 | 109.52 |
C310—Si31—C311 | 112.5 (3) | Si21—C211—H211" | 109.44 |
C316—Si32—C317 | 106.5 (3) | Si21—C212—H212' | 109.50 |
C314—Si32—C316 | 113.4 (3) | Si21—C212—H212" | 109.53 |
C314—Si32—C315 | 111.5 (3) | H212'—C212—H212 | 109.40 |
C315—Si32—C317 | 107.0 (3) | H212"—C212—H212 | 109.44 |
C315—Si32—C316 | 106.4 (3) | Si21—C212—H212 | 109.46 |
C314—Si32—C317 | 111.7 (3) | H212'—C212—H212" | 109.50 |
C318—Si33—C321 | 112.1 (4) | Si21—C213—H213' | 109.51 |
C318—Si33—C320 | 112.4 (4) | H213'—C213—H213" | 109.49 |
C318—Si33—C319 | 113.2 (4) | Si21—C213—H213" | 109.43 |
C319—Si33—C321 | 104.7 (4) | Si21—C213—H213 | 109.46 |
C320—Si33—C321 | 105.7 (4) | H213"—C213—H213 | 109.40 |
C319—Si33—C320 | 108.3 (4) | H213'—C213—H213 | 109.53 |
Y11—N11—C11 | 106.9 (4) | Y22—C214—H214' | 97.73 |
Y11—N11—C12 | 113.4 (4) | Y22—C214—H214 | 97.68 |
C12—N11—C19 | 111.9 (6) | Si22—C214—H214 | 97.75 |
C11—N11—C19 | 108.9 (6) | H214'—C214—H214 | 103.65 |
Y11—N11—C19 | 106.6 (4) | Si22—C214—H214' | 97.79 |
C11—N11—C12 | 108.8 (6) | H215'—C215—H215" | 109.59 |
Y11—N12—C15 | 113.0 (4) | H215'—C215—H215 | 109.36 |
Y11—N12—C14 | 109.8 (3) | H215"—C215—H215 | 109.41 |
C14—N12—C15 | 108.2 (5) | Si22—C215—H215' | 109.52 |
C13—N12—C14 | 107.0 (5) | Si22—C215—H215" | 109.54 |
Y11—N12—C13 | 106.4 (4) | Si22—C215—H215 | 109.40 |
C13—N12—C15 | 112.3 (5) | Si22—C216—H216' | 109.47 |
C16—N13—C17 | 109.1 (6) | Si22—C216—H216" | 109.48 |
C16—N13—C18 | 111.8 (6) | Si22—C216—H216 | 109.50 |
Y11—N13—C18 | 115.1 (5) | H216'—C216—H216 | 109.45 |
C17—N13—C18 | 110.0 (5) | H216"—C216—H216 | 109.48 |
Y11—N13—C16 | 105.3 (4) | H216'—C216—H216" | 109.43 |
Y11—N13—C17 | 105.1 (4) | Si22—C217—H217' | 109.45 |
Y22—N21—C21 | 105.9 (4) | Si22—C217—H217 | 109.48 |
C21—N21—C29 | 110.9 (5) | H217'—C217—H217" | 109.44 |
C22—N21—C29 | 110.5 (6) | Si22—C217—H217" | 109.40 |
C21—N21—C22 | 109.3 (5) | H217"—C217—H217 | 109.50 |
Y22—N21—C29 | 112.6 (4) | H217'—C217—H217 | 109.55 |
Y22—N21—C22 | 107.5 (4) | Y22—C218—H218 | 104.62 |
Y22—N22—C23 | 111.7 (4) | Si23—C218—H218' | 104.62 |
Y22—N22—C24 | 109.6 (4) | H218'—C218—H218 | 105.59 |
Y22—N22—C25 | 104.8 (4) | Si23—C218—H218 | 104.70 |
C24—N22—C25 | 109.5 (6) | Y22—C218—H218' | 104.55 |
C23—N22—C24 | 109.8 (5) | Si23—C219—H219' | 109.48 |
C23—N22—C25 | 111.4 (6) | Si23—C219—H219 | 109.52 |
Y22—N23—C26 | 113.7 (4) | H219'—C219—H219" | 109.40 |
Y22—N23—C27 | 108.2 (4) | H219'—C219—H219 | 109.48 |
Y22—N23—C28 | 104.0 (4) | H219"—C219—H219 | 109.48 |
C26—N23—C27 | 109.7 (5) | Si23—C219—H219" | 109.47 |
C27—N23—C28 | 109.5 (5) | Si23—C220—H220' | 109.50 |
C26—N23—C28 | 111.5 (6) | Si23—C220—H220" | 109.44 |
Y33—N31—C39 | 104.1 (4) | H220"—C220—H220 | 109.44 |
C31—N31—C32 | 111.0 (5) | H220'—C220—H220 | 109.50 |
C32—N31—C39 | 112.0 (5) | Si23—C220—H220 | 109.46 |
Y33—N31—C31 | 105.7 (3) | H220'—C220—H220" | 109.49 |
C31—N31—C39 | 108.2 (5) | Si23—C221—H221 | 109.45 |
Y33—N31—C32 | 115.4 (4) | H221"—C221—H221 | 109.49 |
Y33—N32—C35 | 112.7 (3) | H221'—C221—H221" | 109.51 |
Y33—N32—C33 | 105.6 (4) | H221'—C221—H221 | 109.37 |
C34—N32—C35 | 108.5 (5) | Si23—C221—H221" | 109.54 |
C33—N32—C34 | 108.8 (5) | Si23—C221—H221' | 109.47 |
Y33—N32—C34 | 109.7 (3) | H31—C31—H31" | 109.51 |
C33—N32—C35 | 111.5 (5) | H31'—C31—H31" | 109.45 |
Y33—N33—C36 | 103.6 (3) | N31—C31—H31" | 109.52 |
C36—N33—C37 | 110.1 (5) | N31—C31—H31 | 109.48 |
Y33—N33—C37 | 109.7 (4) | N31—C31—H31' | 109.43 |
C37—N33—C38 | 109.4 (5) | H31—C31—H31' | 109.43 |
Y33—N33—C38 | 113.0 (4) | N31—C32—H32 | 108.84 |
C36—N33—C38 | 110.9 (5) | N31—C32—H32' | 109.03 |
N11—C12—C13 | 115.7 (5) | C33—C32—H32 | 108.90 |
N12—C13—C12 | 116.3 (6) | C33—C32—H32' | 109.01 |
N12—C15—C16 | 115.5 (6) | H32—C32—H32' | 107.85 |
N13—C16—C15 | 115.7 (7) | C32—C33—H33 | 109.24 |
N13—C18—C19 | 115.2 (7) | C32—C33—H33' | 109.21 |
N11—C19—C18 | 113.8 (7) | N32—C33—H33' | 109.09 |
Y11—C110—Si11 | 128.9 (3) | N32—C33—H33 | 109.23 |
H11'—C11—H11" | 109.49 | H33—C33—H33' | 107.94 |
H11—C11—H11" | 109.41 | H34—C34—H34" | 109.45 |
H11—C11—H11' | 109.47 | H34'—C34—H34" | 109.47 |
N11—C11—H11 | 109.46 | H34—C34—H34' | 109.55 |
N11—C11—H11' | 109.52 | N32—C34—H34 | 109.46 |
N11—C11—H11" | 109.48 | N32—C34—H34' | 109.49 |
C13—C12—H12 | 108.33 | N32—C34—H34" | 109.41 |
N11—C12—H12 | 108.32 | H35—C35—H35' | 107.65 |
N11—C12—H12' | 108.33 | N32—C35—H35' | 108.91 |
H12—C12—H12' | 107.47 | C36—C35—H35 | 109.02 |
C13—C12—H12' | 108.45 | N32—C35—H35 | 108.93 |
C12—C13—H13' | 108.21 | C36—C35—H35' | 109.03 |
H13—C13—H13' | 107.33 | C35—C36—H36 | 108.83 |
C12—C13—H13 | 108.17 | C35—C36—H36' | 108.82 |
N12—C13—H13' | 108.28 | N33—C36—H36' | 108.77 |
N12—C13—H13 | 108.23 | N33—C36—H36 | 108.71 |
Y11—C114—Si12 | 133.4 (3) | H36—C36—H36' | 107.73 |
H14—C14—H14" | 109.48 | H37—C37—H37" | 109.47 |
H14—C14—H14' | 109.35 | H37'—C37—H37" | 109.47 |
N12—C14—H14 | 109.41 | H37—C37—H37' | 109.48 |
H14'—C14—H14" | 109.56 | N33—C37—H37 | 109.47 |
N12—C14—H14" | 109.55 | N33—C37—H37' | 109.46 |
N12—C14—H14' | 109.47 | N33—C37—H37" | 109.48 |
C16—C15—H15' | 108.34 | H38—C38—H38' | 107.92 |
C16—C15—H15 | 108.42 | N33—C38—H38' | 109.27 |
H15—C15—H15' | 107.59 | C39—C38—H38 | 109.22 |
N12—C15—H15 | 108.37 | N33—C38—H38 | 109.24 |
N12—C15—H15' | 108.39 | C39—C38—H38' | 109.24 |
C15—C16—H16' | 108.41 | N31—C39—H39' | 109.21 |
H16—C16—H16' | 107.36 | C38—C39—H39 | 109.25 |
C15—C16—H16 | 108.35 | N31—C39—H39 | 109.19 |
N13—C16—H16' | 108.41 | C38—C39—H39' | 109.25 |
N13—C16—H16 | 108.31 | H39—C39—H39' | 107.92 |
H17—C17—H17" | 109.45 | Y33—C310—Si31 | 126.3 (3) |
N13—C17—H17 | 109.43 | Y33—C314—Si32 | 156.0 (3) |
H17'—C17—H17" | 109.56 | Y33—C318—Si33 | 131.0 (3) |
N13—C17—H17' | 109.46 | Y33—C310—H310' | 105.73 |
H17—C17—H17' | 109.55 | Y33—C310—H310 | 105.73 |
N13—C17—H17" | 109.38 | Si31—C310—H310' | 105.76 |
H18—C18—H18' | 107.54 | Si31—C310—H310 | 105.77 |
Y11—C118—Si13 | 136.4 (3) | H310'—C310—H310 | 106.20 |
N13—C18—H18 | 108.46 | Si31—C311—H311' | 109.45 |
N13—C18—H18' | 108.42 | Si31—C311—H311" | 109.39 |
C19—C18—H18 | 108.48 | Si31—C311—H311 | 109.41 |
C19—C18—H18' | 108.48 | H311'—C311—H311" | 109.54 |
N11—C19—H19' | 108.81 | H311'—C311—H311 | 109.56 |
N11—C19—H19 | 108.67 | H311"—C311—H311 | 109.47 |
H19—C19—H19' | 107.67 | Si31—C312—H312' | 109.43 |
C18—C19—H19 | 108.80 | Si31—C312—H312" | 109.45 |
C18—C19—H19' | 108.90 | Si31—C312—H312 | 109.48 |
Si11—C110—H110 | 105.05 | H312'—C312—H312" | 109.45 |
Y11—C110—H110' | 105.05 | H312'—C312—H312 | 109.49 |
Y11—C110—H110 | 105.06 | H312"—C312—H312 | 109.52 |
Si11—C110—H110' | 105.04 | Si31—C313—H313' | 109.42 |
H110'—C110—H110 | 105.89 | Si31—C313—H313" | 109.44 |
H111'—C111—H111 | 109.42 | Si31—C313—H313 | 109.54 |
Si11—C111—H111' | 109.56 | H313'—C313—H313" | 109.37 |
Si11—C111—H111" | 109.53 | H313'—C313—H313 | 109.51 |
H111"—C111—H111 | 109.38 | H313"—C313—H313 | 109.55 |
Si11—C111—H111 | 109.57 | Y33—C314—H314' | 97.36 |
H111'—C111—H111" | 109.38 | Y33—C314—H314 | 97.38 |
Si11—C112—H112" | 109.50 | Si32—C314—H314' | 97.44 |
Si11—C112—H112' | 109.52 | Si32—C314—H314 | 97.44 |
H112'—C112—H112" | 109.44 | H314'—C314—H314 | 103.53 |
H112'—C112—H112 | 109.45 | Si32—C315—H315' | 109.48 |
Si11—C112—H112 | 109.50 | Si32—C315—H315" | 109.41 |
H112"—C112—H112 | 109.43 | Si32—C315—H315 | 109.47 |
Si11—C113—H113" | 109.46 | H315'—C315—H315" | 109.46 |
Si11—C113—H113 | 109.45 | H315'—C315—H315 | 109.55 |
Si11—C113—H113' | 109.58 | H315"—C315—H315 | 109.45 |
H113'—C113—H113" | 109.53 | Si32—C316—H316' | 109.49 |
H113'—C113—H113 | 109.50 | Si32—C316—H316" | 109.43 |
H113"—C113—H113 | 109.32 | Si32—C316—H316 | 109.45 |
Si12—C114—H114' | 103.97 | H316'—C316—H316" | 109.50 |
Si12—C114—H114 | 103.89 | H316'—C316—H316 | 109.51 |
H114'—C114—H114 | 105.42 | H316"—C316—H316 | 109.45 |
Y11—C114—H114 | 103.76 | Si32—C317—H317' | 109.55 |
Y11—C114—H114' | 103.81 | Si32—C317—H317" | 109.49 |
H115"—C115—H115 | 109.48 | Si32—C317—H317 | 109.49 |
Si12—C115—H115 | 109.54 | H317'—C317—H317" | 109.47 |
Si12—C115—H115' | 109.48 | H317'—C317—H317 | 109.48 |
Si12—C115—H115" | 109.49 | H317"—C317—H317 | 109.36 |
H115'—C115—H115" | 109.37 | Y33—C318—H318' | 104.54 |
H115'—C115—H115 | 109.47 | Y33—C318—H318 | 104.54 |
Si12—C116—H116' | 109.51 | Si33—C318—H318' | 104.46 |
H116"—C116—H116 | 109.40 | Si33—C318—H318 | 104.47 |
H116'—C116—H116 | 109.55 | H318'—C318—H318 | 105.72 |
Si12—C116—H116 | 109.45 | Si33—C319—H319' | 109.51 |
H116'—C116—H116" | 109.50 | Si33—C319—H319" | 109.47 |
Si12—C116—H116" | 109.42 | Si33—C319—H319 | 109.54 |
H117"—C117—H117 | 109.42 | H319'—C319—H319" | 109.39 |
Si12—C117—H117" | 109.50 | H319'—C319—H319 | 109.48 |
H117'—C117—H117" | 109.40 | H319"—C319—H319 | 109.43 |
H117'—C117—H117 | 109.44 | Si33—C320—H320' | 109.40 |
Si12—C117—H117' | 109.53 | Si33—C320—H320" | 109.41 |
Si12—C117—H117 | 109.53 | Si33—C320—H320 | 109.46 |
Y11—C118—H118' | 103.12 | H320'—C320—H320" | 109.47 |
Y11—C118—H118 | 103.10 | H320'—C320—H320 | 109.54 |
Si13—C118—H118 | 103.00 | H320"—C320—H320 | 109.55 |
H118'—C118—H118 | 105.03 | Si33—C321—H321' | 109.48 |
Si13—C118—H118' | 103.03 | Si33—C321—H321" | 109.41 |
Si13—C119—H119" | 109.46 | Si33—C321—H321 | 109.47 |
Si13—C119—H119 | 109.50 | H321'—C321—H321" | 109.46 |
H119"—C119—H119 | 109.46 | H321'—C321—H321 | 109.57 |
H119'—C119—H119" | 109.42 | H321"—C321—H321 | 109.43 |
H119'—C119—H119 | 109.51 | ||
N12—Y11—N11—C11 | −135.8 (4) | N32—Y33—N33—C38 | −84.8 (4) |
N12—Y11—N11—C12 | −15.8 (5) | C310—Y33—N33—C36 | −56.8 (4) |
N12—Y11—N11—C19 | 107.8 (5) | C310—Y33—N33—C37 | 60.7 (4) |
N13—Y11—N11—C11 | 149.8 (4) | C310—Y33—N33—C38 | −176.9 (4) |
N13—Y11—N11—C12 | −90.2 (5) | C314—Y33—N33—C36 | −158.2 (4) |
N13—Y11—N11—C19 | 33.4 (4) | C314—Y33—N33—C37 | −40.7 (4) |
C110—Y11—N11—C11 | −47.1 (4) | C314—Y33—N33—C38 | 81.6 (4) |
C110—Y11—N11—C12 | 72.8 (5) | C318—Y33—N33—C36 | 61.5 (6) |
C110—Y11—N11—C19 | −163.5 (4) | N32—Y33—N31—C39 | 111.3 (4) |
C114—Y11—N11—C11 | 55.6 (4) | N33—Y33—N31—C31 | 150.3 (4) |
C114—Y11—N11—C12 | 175.6 (5) | N33—Y33—N31—C32 | −86.7 (4) |
C114—Y11—N11—C19 | −60.8 (5) | N33—Y33—N31—C39 | 36.4 (4) |
C118—Y11—N11—C11 | −169.5 (5) | C310—Y33—N31—C31 | −176.7 (4) |
C118—Y11—N11—C12 | −49.5 (7) | N31—Y33—C310—Si31 | −179.0 (3) |
C118—Y11—N11—C19 | 74.1 (6) | N32—Y33—C310—Si31 | 142.9 (4) |
N11—Y11—N12—C13 | 32.9 (4) | N33—Y33—C310—Si31 | −148.5 (4) |
N11—Y11—N12—C14 | 148.3 (4) | C314—Y33—C310—Si31 | −51.9 (4) |
N11—Y11—N12—C15 | −90.8 (4) | C318—Y33—C310—Si31 | 53.7 (4) |
N13—Y11—N12—C13 | 106.0 (4) | N31—Y33—C314—Si32 | 26.0 (10) |
N13—Y11—N12—C14 | −138.5 (4) | N33—Y33—C314—Si32 | −42.9 (10) |
N13—Y11—N12—C15 | −17.6 (4) | C310—Y33—C314—Si32 | −132.5 (9) |
C110—Y11—N12—C13 | −60.3 (4) | C318—Y33—C314—Si32 | 121.2 (9) |
C110—Y11—N12—C14 | 55.1 (4) | N31—Y33—C318—Si33 | 99.3 (4) |
C110—Y11—N12—C15 | 176.0 (4) | N32—Y33—C318—Si33 | 166.8 (5) |
C114—Y11—N12—C13 | 61.0 (7) | N33—Y33—C318—Si33 | 142.6 (4) |
C114—Y11—N12—C14 | 176.5 (5) | C310—Y33—C318—Si33 | −102.1 (5) |
C114—Y11—N12—C15 | −62.6 (7) | C314—Y33—C318—Si33 | 3.1 (5) |
C118—Y11—N12—C13 | −161.8 (4) | C310—Y33—N32—C35 | 74.9 (4) |
C118—Y11—N12—C14 | −46.3 (4) | C318—Y33—N32—C33 | −60.0 (4) |
C118—Y11—N12—C15 | 74.6 (4) | N31—Y33—N33—C38 | −11.4 (4) |
N11—Y11—N13—C16 | 109.2 (5) | C310—Y33—N31—C39 | 69.4 (6) |
N11—Y11—N13—C17 | −135.7 (4) | C314—Y33—N31—C31 | 55.0 (4) |
N11—Y11—N13—C18 | −14.4 (4) | C314—Y33—N31—C32 | 178.0 (4) |
N12—Y11—N13—C16 | 34.9 (4) | N33—Y33—N32—C35 | −12.6 (4) |
N12—Y11—N13—C17 | 150.1 (4) | C310—Y33—N32—C33 | −163.1 (4) |
N12—Y11—N13—C18 | −88.7 (5) | C310—Y33—N32—C34 | −46.1 (4) |
C110—Y11—N13—C16 | 67.5 (6) | N32—Y33—N31—C32 | −11.8 (4) |
C110—Y11—N13—C17 | −177.4 (5) | C310—Y33—N31—C32 | −53.6 (6) |
C110—Y11—N13—C18 | −56.1 (7) | N32—Y33—N31—C31 | −134.9 (4) |
C114—Y11—N13—C16 | −162.4 (5) | N33—Y33—N32—C34 | −133.6 (4) |
C114—Y11—N13—C17 | −47.2 (4) | N33—Y33—N32—C33 | 109.4 (4) |
C114—Y11—N13—C18 | 74.0 (5) | C113—Si11—C110—Y11 | −162.8 (3) |
C118—Y11—N13—C16 | −53.5 (5) | C112—Si11—C110—Y11 | 77.9 (5) |
C118—Y11—N13—C17 | 61.6 (4) | C111—Si11—C110—Y11 | −44.1 (5) |
C118—Y11—N13—C18 | −177.2 (5) | C116—Si12—C114—Y11 | 163.9 (4) |
N11—Y11—C110—Si11 | −170.2 (4) | C115—Si12—C114—Y11 | −75.7 (5) |
N12—Y11—C110—Si11 | −102.4 (4) | C117—Si12—C114—Y11 | 45.9 (5) |
N13—Y11—C110—Si11 | −132.4 (4) | C120—Si13—C118—Y11 | 95.9 (4) |
C114—Y11—C110—Si11 | 99.1 (4) | C119—Si13—C118—Y11 | −24.6 (5) |
C118—Y11—C110—Si11 | −13.2 (4) | C121—Si13—C118—Y11 | −144.6 (4) |
N11—Y11—C114—Si12 | −106.1 (5) | C213—Si21—C210—Y22 | −56.0 (5) |
N12—Y11—C114—Si12 | −132.0 (4) | C211—Si21—C210—Y22 | −173.4 (3) |
N13—Y11—C114—Si12 | −173.0 (4) | C212—Si21—C210—Y22 | 66.2 (5) |
C110—Y11—C114—Si12 | −13.1 (5) | C216—Si22—C214—Y22 | 164.7 (8) |
C118—Y11—C114—Si12 | 93.8 (5) | C215—Si22—C214—Y22 | 46.8 (10) |
N11—Y11—C118—Si13 | −122.0 (4) | C217—Si22—C214—Y22 | −75.9 (10) |
N12—Y11—C118—Si13 | −152.9 (4) | C221—Si23—C218—Y22 | −178.5 (4) |
N13—Y11—C118—Si13 | −85.1 (4) | C219—Si23—C218—Y22 | 62.2 (5) |
C110—Y11—C118—Si13 | 117.4 (4) | C220—Si23—C218—Y22 | −60.0 (5) |
C114—Y11—C118—Si13 | 9.6 (5) | C311—Si31—C310—Y33 | 171.5 (3) |
C214—Y22—N23—C28 | 64.9 (5) | C313—Si31—C310—Y33 | −68.6 (5) |
C214—Y22—N21—C21 | 45.9 (4) | C312—Si31—C310—Y33 | 53.8 (5) |
C214—Y22—N21—C22 | 162.7 (5) | C317—Si32—C314—Y33 | −53.3 (10) |
C214—Y22—N21—C29 | −75.4 (5) | C315—Si32—C314—Y33 | 66.3 (10) |
C218—Y22—N21—C21 | −56.1 (4) | C316—Si32—C314—Y33 | −173.7 (9) |
C218—Y22—N21—C22 | 60.7 (5) | C319—Si33—C318—Y33 | 53.0 (6) |
C218—Y22—N21—C29 | −177.4 (5) | C320—Si33—C318—Y33 | −70.1 (5) |
N21—Y22—N22—C23 | 14.3 (4) | C321—Si33—C318—Y33 | 171.0 (4) |
N21—Y22—N22—C24 | 136.2 (4) | C11—N11—C19—C18 | −168.4 (7) |
N21—Y22—N22—C25 | −106.4 (4) | C12—N11—C19—C18 | 71.2 (9) |
N23—Y22—N22—C23 | 89.2 (4) | Y11—N11—C19—C18 | −53.4 (8) |
N23—Y22—N22—C24 | −148.9 (4) | Y11—N11—C12—C13 | −4.7 (9) |
N23—Y22—N22—C25 | −31.5 (4) | C11—N11—C12—C13 | 114.2 (8) |
C210—Y22—N22—C23 | 179.2 (5) | C19—N11—C12—C13 | −125.4 (8) |
C210—Y22—N22—C24 | −58.9 (4) | C14—N12—C15—C16 | 118.2 (7) |
C210—Y22—N22—C25 | 58.4 (4) | Y11—N12—C13—C12 | −51.8 (7) |
C218—Y22—N22—C23 | −77.1 (5) | C14—N12—C13—C12 | −169.1 (6) |
C218—Y22—N22—C24 | 44.8 (4) | C13—N12—C15—C16 | −123.9 (6) |
C218—Y22—N22—C25 | 162.1 (5) | Y11—N12—C15—C16 | −3.5 (7) |
N21—Y22—N23—C26 | 89.2 (5) | C15—N12—C13—C12 | 72.3 (8) |
N21—Y22—N23—C27 | −148.7 (4) | Y11—N13—C16—C15 | −54.1 (7) |
N21—Y22—N23—C28 | −32.3 (4) | C17—N13—C18—C19 | 110.5 (7) |
N22—Y22—N23—C26 | 15.8 (5) | C18—N13—C16—C15 | 71.6 (8) |
N22—Y22—N23—C27 | 138.0 (4) | Y11—N13—C18—C19 | −8.0 (8) |
N22—Y22—N23—C28 | −105.7 (5) | C16—N13—C18—C19 | −128.2 (7) |
C210—Y22—N23—C26 | −71.4 (5) | C17—N13—C16—C15 | −166.5 (6) |
C210—Y22—N23—C27 | 50.7 (4) | C21—N21—C22—C23 | 165.5 (7) |
C210—Y22—N23—C28 | 167.1 (4) | C29—N21—C22—C23 | −72.2 (9) |
C214—Y22—N23—C26 | −173.7 (5) | C22—N21—C29—C28 | 124.0 (8) |
C214—Y22—N23—C27 | −51.5 (4) | Y22—N21—C22—C23 | 51.0 (8) |
N23—Y22—N21—C22 | −105.7 (5) | Y22—N21—C29—C28 | 3.8 (9) |
N23—Y22—N21—C29 | 16.2 (5) | C21—N21—C29—C28 | −114.7 (8) |
C210—Y22—N21—C21 | 180.0 (4) | C25—N22—C23—C22 | 123.3 (8) |
C210—Y22—N21—C22 | −63.3 (6) | C24—N22—C25—C26 | 167.5 (7) |
C210—Y22—N21—C29 | 58.6 (6) | Y22—N22—C25—C26 | 50.1 (8) |
C218—Y22—N23—C27 | 174.6 (5) | C23—N22—C25—C26 | −70.9 (9) |
C218—Y22—N23—C28 | −69.0 (7) | C24—N22—C23—C22 | −115.2 (7) |
N21—Y22—C210—Si21 | −167.4 (3) | Y22—N22—C23—C22 | 6.5 (8) |
N22—Y22—C210—Si21 | 163.3 (4) | C26—N23—C28—C29 | −71.1 (9) |
N23—Y22—C210—Si21 | −128.6 (4) | C27—N23—C28—C29 | 167.3 (7) |
C214—Y22—C210—Si21 | −34.1 (4) | Y22—N23—C28—C29 | 51.8 (9) |
C218—Y22—C210—Si21 | 71.2 (4) | Y22—N23—C26—C25 | 4.6 (9) |
N21—Y22—C214—Si22 | 40.7 (9) | C27—N23—C26—C25 | −116.7 (8) |
N23—Y22—C214—Si22 | −28.2 (9) | C28—N23—C26—C25 | 121.8 (8) |
C210—Y22—C214—Si22 | −118.0 (9) | C32—N31—C39—C38 | 63.7 (7) |
C218—Y22—C214—Si22 | 134.9 (9) | C31—N31—C39—C38 | −173.7 (5) |
N21—Y22—C218—Si23 | 94.5 (4) | Y33—N31—C39—C38 | −61.6 (5) |
N22—Y22—C218—Si23 | 162.0 (4) | Y33—N31—C32—C33 | −13.3 (7) |
N23—Y22—C218—Si23 | 128.3 (4) | C31—N31—C32—C33 | 107.0 (6) |
C210—Y22—C218—Si23 | −110.4 (4) | C39—N31—C32—C33 | −132.0 (6) |
C214—Y22—C218—Si23 | −4.5 (5) | Y33—N32—C33—C32 | −57.1 (5) |
N22—Y22—N21—C21 | −148.1 (4) | C35—N32—C33—C32 | 65.7 (6) |
N22—Y22—N21—C22 | −31.3 (4) | C34—N32—C33—C32 | −174.7 (5) |
N22—Y22—N21—C29 | 90.6 (5) | C34—N32—C35—C36 | 109.0 (6) |
N23—Y22—N21—C21 | 137.6 (4) | Y33—N32—C35—C36 | −12.7 (6) |
C218—Y22—N23—C26 | 52.5 (8) | C33—N32—C35—C36 | −131.3 (5) |
C318—Y33—N31—C32 | 75.4 (4) | C38—N33—C36—C35 | 62.1 (6) |
C318—Y33—N31—C39 | −161.6 (4) | C37—N33—C36—C35 | −176.6 (5) |
N31—Y33—N32—C33 | 34.7 (3) | Y33—N33—C38—C39 | −15.4 (6) |
N31—Y33—N32—C34 | 151.7 (4) | C36—N33—C38—C39 | −131.2 (5) |
N31—Y33—N32—C35 | −87.3 (4) | Y33—N33—C36—C35 | −59.4 (5) |
C314—Y33—N31—C39 | −58.9 (4) | C37—N33—C38—C39 | 107.1 (6) |
C318—Y33—N31—C31 | −47.7 (4) | N11—C12—C13—N12 | 39.6 (10) |
C318—Y33—N33—C37 | 179.0 (5) | N12—C15—C16—N13 | 40.6 (9) |
C318—Y33—N33—C38 | −58.7 (7) | N13—C18—C19—N11 | 42.7 (10) |
C318—Y33—N32—C34 | 57.0 (4) | N21—C22—C23—N22 | −39.9 (10) |
C318—Y33—N32—C35 | 178.0 (4) | N22—C25—C26—N23 | −39.3 (11) |
N31—Y33—N33—C36 | 108.8 (4) | N23—C28—C29—N21 | −40.3 (11) |
N31—Y33—N33—C37 | −133.7 (4) | N31—C32—C33—N32 | 49.0 (7) |
N32—Y33—N33—C36 | 35.3 (3) | N32—C35—C36—N33 | 51.1 (7) |
N32—Y33—N33—C37 | 152.8 (4) | N33—C38—C39—N31 | 53.9 (6) |
Symmetry codes: (i) x, −y+1/2, z+1/2; (ii) x+1, −y+1/2, z+1/2; (iii) −x+1, y−1/2, −z+1/2; (iv) x, −y+1/2, z−1/2; (v) −x+1, y+1/2, −z+1/2; (vi) x−1, −y+1/2, z−1/2; (vii) x−1, y, z; (viii) −x+1, −y, −z+1; (ix) −x, −y, −z+1; (x) x+1, −y+1/2, z−1/2; (xi) x+1, y, z; (xii) −x+1, y+1/2, −z+3/2; (xiii) x, y, z+1; (xiv) x−1, −y+1/2, z+1/2; (xv) x, y, z−1; (xvi) −x+1, y−1/2, −z+3/2. |
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