Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805033088/lh6519sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536805033088/lh6519Isup2.hkl |
CCDC reference: 289806
Data collection: APEX-II (Bruker, 2004); cell refinement: SAINT (Bruker, 2001); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Bruker, 2001); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: XCIF (Bruker, 2001).
C26H32N2Si2 | Z = 2 |
Mr = 428.72 | F(000) = 460 |
Triclinic, P1 | Dx = 1.039 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 10.5351 (3) Å | Cell parameters from 7708 reflections |
b = 11.4008 (3) Å | θ = 2.3–27.2° |
c = 11.8287 (4) Å | µ = 0.14 mm−1 |
α = 80.458 (2)° | T = 193 K |
β = 78.076 (2)° | Prism, colorless |
γ = 89.318 (2)° | 0.48 × 0.34 × 0.18 mm |
V = 1370.47 (7) Å3 |
Bruker Kappa/APEX-II CCD diffractometer | 6809 independent reflections |
Radiation source: fine-focus sealed tube | 5162 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.022 |
Profile data from φ and ω scans | θmax = 28.3°, θmin = 1.8° |
Absorption correction: integration (SHELXTL/XPREP; Bruker, 2001) | h = −14→14 |
Tmin = 0.948, Tmax = 0.975 | k = −15→15 |
38376 measured reflections | l = −15→15 |
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)] = 0.056 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.166 | H-atom parameters constrained |
S = 1.03 | w = 1/[σ2(Fo2) + (0.0772P)2 + 0.4863P] where P = (Fo2 + 2Fc2)/3 |
6809 reflections | (Δ/σ)max = 0.031 |
460 parameters | Δρmax = 0.55 e Å−3 |
913 restraints | Δρmin = −0.61 e Å−3 |
Experimental. One distinct cell was identified using APEX2 (Bruker, 2004). Ten frame series were integrated and filtered for statistical outliers using SAINT (Bruker, 2001) then corrected for absorption by integration using SHELXTL/XPREP (Bruker, 2001) before using SAINT/SADABS (Bruker, 2001) to sort, merge, and scale the combined data. No decay correction was applied. |
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. |
Refinement. Systematic conditions suggested the ambiguous space group. Structure was phased by direct methods. The space group choice was confirmed by successful convergence of the full-matrix least-squares refinement on F2. A final analysis of variance between observed and calculated structure factors showed little dependence on amplitude or resolution. |
x | y | z | Uiso*/Ueq | Occ. (<1) | |
N1 | 0.01955 (9) | 0.89466 (8) | 0.90737 (8) | 0.0507 (2) | |
C1 | 0.04545 (10) | 0.98707 (9) | 0.94551 (9) | 0.0461 (3) | |
C2 | 0.15807 (13) | 1.07129 (11) | 0.89381 (12) | 0.0738 (4) | |
H2A | 0.2019 | 1.0859 | 0.9558 | 0.089* | |
H2B | 0.1270 | 1.1466 | 0.8572 | 0.089* | |
H2C | 0.2191 | 1.0365 | 0.8346 | 0.089* | |
C3 | 0.09603 (10) | 0.86547 (9) | 0.80228 (9) | 0.0443 (2) | |
C4 | 0.17379 (9) | 0.76641 (8) | 0.80748 (9) | 0.0415 (2) | |
H4A | 0.1788 | 0.7206 | 0.8812 | 0.050* | |
C5 | 0.24499 (9) | 0.73405 (8) | 0.70378 (9) | 0.0406 (2) | |
C6 | 0.23529 (10) | 0.79990 (10) | 0.59612 (9) | 0.0477 (3) | |
H6A | 0.2830 | 0.7780 | 0.5257 | 0.057* | |
C7 | 0.15597 (12) | 0.89746 (11) | 0.59178 (10) | 0.0553 (3) | |
H7A | 0.1488 | 0.9421 | 0.5182 | 0.066* | |
C8 | 0.08681 (11) | 0.93032 (10) | 0.69442 (10) | 0.0546 (3) | |
H8A | 0.0329 | 0.9976 | 0.6908 | 0.066* | |
C9 | 0.32899 (10) | 0.63382 (9) | 0.70895 (9) | 0.0465 (3) | |
C10 | 0.39983 (11) | 0.55055 (11) | 0.71202 (11) | 0.0564 (3) | |
Si1 | 0.50989 (3) | 0.42393 (3) | 0.71837 (4) | 0.07298 (12) | |
C11 | 0.66450 (13) | 0.46886 (13) | 0.61633 (14) | 0.0755 (4) | |
H11A | 0.7021 | 0.5375 | 0.6388 | 0.091* | |
H11B | 0.6493 | 0.4904 | 0.5366 | 0.091* | |
H11C | 0.7246 | 0.4026 | 0.6192 | 0.091* | |
C12 | 0.4354 (2) | 0.29712 (15) | 0.6733 (3) | 0.1497 (13) | |
H12A | 0.4198 | 0.3210 | 0.5939 | 0.180* | |
H12B | 0.3528 | 0.2735 | 0.7278 | 0.180* | |
H12C | 0.4941 | 0.2298 | 0.6744 | 0.180* | |
C13 | 0.5360 (2) | 0.3887 (3) | 0.86961 (19) | 0.1760 (10) | |
H13A | 0.5736 | 0.4586 | 0.8900 | 0.211* | |
H13B | 0.5955 | 0.3223 | 0.8755 | 0.211* | |
H13C | 0.4528 | 0.3666 | 0.9237 | 0.211* | |
N2 | 0.06823 (12) | 0.54102 (11) | 0.11004 (11) | 0.0514 (3) | 0.7145 (7) |
C14 | −0.01537 (14) | 0.53784 (12) | 0.04745 (13) | 0.0439 (4) | 0.7145 (7) |
C15 | −0.13882 (16) | 0.60520 (14) | 0.05539 (15) | 0.0555 (4) | 0.7145 (7) |
H15A | −0.2100 | 0.5520 | 0.0524 | 0.067* | 0.7145 (7) |
H15B | −0.1293 | 0.6714 | −0.0104 | 0.067* | 0.7145 (7) |
H15C | −0.1581 | 0.6363 | 0.1294 | 0.067* | 0.7145 (7) |
C16 | 0.04877 (7) | 0.60886 (6) | 0.20147 (6) | 0.0487 (4) | 0.7145 (7) |
C17 | 0.12388 (8) | 0.71130 (7) | 0.18969 (8) | 0.0416 (3) | 0.7145 (7) |
H17A | 0.1820 | 0.7395 | 0.1176 | 0.050* | 0.7145 (7) |
C18 | 0.11402 (11) | 0.77250 (8) | 0.28336 (10) | 0.0393 (3) | 0.7145 (7) |
C19 | 0.02905 (13) | 0.73126 (10) | 0.38879 (8) | 0.0568 (5) | 0.7145 (7) |
H19A | 0.0223 | 0.7731 | 0.4528 | 0.068* | 0.7145 (7) |
C20 | −0.04606 (11) | 0.62882 (10) | 0.40057 (7) | 0.0659 (5) | 0.7145 (7) |
H20A | −0.1041 | 0.6006 | 0.4726 | 0.079* | 0.7145 (7) |
C21 | −0.03620 (8) | 0.56762 (8) | 0.30690 (7) | 0.0624 (5) | 0.7145 (7) |
H21A | −0.0875 | 0.4976 | 0.3149 | 0.075* | 0.7145 (7) |
C22 | 0.19669 (14) | 0.87487 (13) | 0.27352 (13) | 0.0442 (4) | 0.7145 (7) |
C23 | 0.26183 (15) | 0.96201 (14) | 0.26846 (13) | 0.0509 (4) | 0.7145 (7) |
Si2 | 0.35560 (5) | 1.09963 (5) | 0.25912 (5) | 0.06618 (15) | 0.7145 (7) |
C24 | 0.2423 (4) | 1.2259 (3) | 0.2334 (5) | 0.0882 (12) | 0.3102 (1) |
H24A | 0.2736 | 1.2968 | 0.2572 | 0.106* | 0.3102 (1) |
H24B | 0.1551 | 1.2035 | 0.2796 | 0.106* | 0.3102 (1) |
H24C | 0.2394 | 1.2431 | 0.1500 | 0.106* | 0.3102 (1) |
C25 | 0.4941 (4) | 1.1140 (5) | 0.1317 (4) | 0.0851 (12) | 0.3102 (1) |
H25A | 0.5303 | 1.1953 | 0.1150 | 0.102* | 0.3102 (1) |
H25B | 0.4640 | 1.0964 | 0.0631 | 0.102* | 0.3102 (1) |
H25C | 0.5611 | 1.0577 | 0.1496 | 0.102* | 0.3102 (1) |
C26 | 0.4082 (4) | 1.1070 (5) | 0.3951 (3) | 0.0873 (11) | 0.3102 (1) |
H26A | 0.4773 | 1.1678 | 0.3806 | 0.105* | 0.3102 (1) |
H26B | 0.4410 | 1.0296 | 0.4245 | 0.105* | 0.3102 (1) |
H26C | 0.3347 | 1.1277 | 0.4535 | 0.105* | 0.3102 (1) |
N3 | −0.0388 (3) | 0.6000 (3) | 0.0981 (3) | 0.0545 (8) | 0.2855 (7) |
C27 | 0.0198 (4) | 0.5168 (3) | 0.0524 (4) | 0.0549 (10) | 0.2855 (7) |
C28 | 0.1262 (4) | 0.4455 (4) | 0.0964 (4) | 0.0718 (12) | 0.2855 (7) |
H28A | 0.0930 | 0.3653 | 0.1330 | 0.086* | 0.2855 (7) |
H28B | 0.1563 | 0.4845 | 0.1543 | 0.086* | 0.2855 (7) |
H28C | 0.1987 | 0.4404 | 0.0306 | 0.086* | 0.2855 (7) |
C29 | −0.00799 (19) | 0.63682 (17) | 0.19780 (17) | 0.0507 (9) | 0.2855 (7) |
C30 | 0.0819 (2) | 0.7294 (2) | 0.1821 (2) | 0.0456 (8) | 0.2855 (7) |
H30A | 0.1300 | 0.7600 | 0.1059 | 0.055* | 0.2855 (7) |
C31 | 0.1016 (3) | 0.7772 (2) | 0.2780 (3) | 0.0453 (9) | 0.2855 (7) |
C32 | 0.0313 (4) | 0.7325 (3) | 0.3896 (2) | 0.0564 (11) | 0.2855 (7) |
H32A | 0.0447 | 0.7652 | 0.4552 | 0.068* | 0.2855 (7) |
C33 | −0.0587 (3) | 0.6400 (3) | 0.40527 (17) | 0.0680 (12) | 0.2855 (7) |
H33A | −0.1067 | 0.6094 | 0.4815 | 0.082* | 0.2855 (7) |
C34 | −0.0783 (2) | 0.5921 (2) | 0.30937 (18) | 0.0588 (10) | 0.2855 (7) |
H34A | −0.1398 | 0.5288 | 0.3201 | 0.071* | 0.2855 (7) |
C35 | 0.1921 (3) | 0.8766 (3) | 0.2602 (4) | 0.0436 (9) | 0.2855 (7) |
C36 | 0.2687 (3) | 0.9588 (3) | 0.2440 (3) | 0.0493 (10) | 0.2855 (7) |
Si3 | 0.38282 (14) | 1.08391 (12) | 0.23218 (12) | 0.0632 (4) | 0.2855 (7) |
C37 | 0.2954 (6) | 1.2245 (4) | 0.2088 (8) | 0.0864 (15) | 0.1579 (1) |
H37A | 0.3559 | 1.2920 | 0.1984 | 0.104* | 0.1579 (1) |
H37B | 0.2253 | 1.2278 | 0.2769 | 0.104* | 0.1579 (1) |
H37C | 0.2588 | 1.2282 | 0.1386 | 0.104* | 0.1579 (1) |
C38 | 0.5165 (5) | 1.0754 (8) | 0.1039 (5) | 0.0816 (16) | 0.1579 (1) |
H38A | 0.5777 | 1.1423 | 0.0934 | 0.098* | 0.1579 (1) |
H38B | 0.4804 | 1.0792 | 0.0334 | 0.098* | 0.1579 (1) |
H38C | 0.5617 | 1.0004 | 0.1173 | 0.098* | 0.1579 (1) |
C39 | 0.4466 (6) | 1.0664 (8) | 0.3681 (4) | 0.0819 (16) | 0.1579 (1) |
H39A | 0.5084 | 1.1316 | 0.3630 | 0.098* | 0.1579 (1) |
H39B | 0.4904 | 0.9903 | 0.3783 | 0.098* | 0.1579 (1) |
H39C | 0.3747 | 1.0681 | 0.4352 | 0.098* | 0.1579 (1) |
C40 | 0.2401 (5) | 1.2043 (4) | 0.3265 (6) | 0.0988 (15) | 0.2366 (1) |
H40A | 0.2740 | 1.2860 | 0.2985 | 0.119* | 0.2366 (1) |
H40B | 0.2290 | 1.1863 | 0.4120 | 0.119* | 0.2366 (1) |
H40C | 0.1562 | 1.1962 | 0.3048 | 0.119* | 0.2366 (1) |
C41 | 0.4345 (6) | 1.1611 (5) | 0.1093 (4) | 0.0877 (14) | 0.2366 (1) |
H41A | 0.5039 | 1.2171 | 0.1103 | 0.105* | 0.2366 (1) |
H41B | 0.3707 | 1.2026 | 0.0685 | 0.105* | 0.2366 (1) |
H41C | 0.4715 | 1.0965 | 0.0684 | 0.105* | 0.2366 (1) |
C42 | 0.4770 (4) | 1.0564 (5) | 0.3526 (4) | 0.0827 (13) | 0.2366 (1) |
H42A | 0.5108 | 1.1279 | 0.3733 | 0.099* | 0.2366 (1) |
H42B | 0.5486 | 1.0154 | 0.3093 | 0.099* | 0.2366 (1) |
H42C | 0.4353 | 1.0032 | 0.4242 | 0.099* | 0.2366 (1) |
C43 | 0.5276 (4) | 1.0698 (7) | 0.2029 (7) | 0.0898 (15)* | 0.1677 (1) |
H43A | 0.5807 | 1.1410 | 0.1987 | 0.108* | 0.1677 (1) |
H43B | 0.5378 | 1.0487 | 0.1246 | 0.108* | 0.1677 (1) |
H43C | 0.5558 | 1.0037 | 0.2557 | 0.108* | 0.1677 (1) |
C44 | 0.3335 (8) | 1.1421 (6) | 0.4063 (4) | 0.0859 (17)* | 0.1677 (1) |
H44A | 0.3836 | 1.2153 | 0.4011 | 0.103* | 0.1677 (1) |
H44B | 0.3637 | 1.0781 | 0.4599 | 0.103* | 0.1677 (1) |
H44C | 0.2413 | 1.1553 | 0.4357 | 0.103* | 0.1677 (1) |
C45 | 0.2936 (6) | 1.2190 (5) | 0.1609 (5) | 0.0920 (16)* | 0.1677 (1) |
H45A | 0.3426 | 1.2931 | 0.1550 | 0.110* | 0.1677 (1) |
H45B | 0.2016 | 1.2305 | 0.1924 | 0.110* | 0.1677 (1) |
H45C | 0.3038 | 1.1969 | 0.0829 | 0.110* | 0.1677 (1) |
C46 | 0.4960 (5) | 1.0338 (9) | 0.3315 (5) | 0.0885 (17) | 0.1276 (1) |
H46A | 0.5602 | 1.0973 | 0.3254 | 0.106* | 0.1276 (1) |
H46B | 0.5406 | 0.9627 | 0.3089 | 0.106* | 0.1276 (1) |
H46C | 0.4469 | 1.0151 | 0.4125 | 0.106* | 0.1276 (1) |
C47 | 0.2916 (7) | 1.2129 (4) | 0.2757 (8) | 0.0940 (16) | 0.1276 (1) |
H47A | 0.3516 | 1.2808 | 0.2655 | 0.113* | 0.1276 (1) |
H47B | 0.2472 | 1.1937 | 0.3582 | 0.113* | 0.1276 (1) |
H47C | 0.2274 | 1.2333 | 0.2268 | 0.113* | 0.1276 (1) |
C48 | 0.4818 (8) | 1.1179 (9) | 0.0816 (4) | 0.0919 (18) | 0.1276 (1) |
H48A | 0.5407 | 1.1856 | 0.0758 | 0.110* | 0.1276 (1) |
H48B | 0.4247 | 1.1379 | 0.0258 | 0.110* | 0.1276 (1) |
H48C | 0.5326 | 1.0484 | 0.0633 | 0.110* | 0.1276 (1) |
U11 | U22 | U33 | U12 | U13 | U23 | |
N1 | 0.0487 (4) | 0.0489 (4) | 0.0525 (4) | 0.0030 (4) | 0.0056 (4) | −0.0228 (4) |
C1 | 0.0426 (5) | 0.0438 (5) | 0.0498 (5) | 0.0059 (4) | 0.0028 (4) | −0.0180 (4) |
C2 | 0.0614 (7) | 0.0694 (6) | 0.0840 (7) | −0.0147 (6) | 0.0245 (6) | −0.0422 (5) |
C3 | 0.0398 (4) | 0.0448 (5) | 0.0484 (5) | 0.0011 (4) | 0.0006 (4) | −0.0204 (4) |
C4 | 0.0391 (4) | 0.0416 (4) | 0.0431 (4) | −0.0017 (4) | −0.0007 (4) | −0.0146 (4) |
C5 | 0.0320 (4) | 0.0425 (4) | 0.0487 (5) | 0.0001 (4) | −0.0025 (4) | −0.0189 (4) |
C6 | 0.0454 (5) | 0.0572 (5) | 0.0426 (5) | 0.0061 (4) | −0.0030 (4) | −0.0225 (4) |
C7 | 0.0617 (6) | 0.0610 (6) | 0.0465 (5) | 0.0142 (5) | −0.0137 (5) | −0.0161 (5) |
C8 | 0.0555 (6) | 0.0533 (5) | 0.0577 (6) | 0.0177 (5) | −0.0100 (5) | −0.0199 (5) |
C9 | 0.0376 (4) | 0.0475 (5) | 0.0515 (5) | 0.0002 (4) | 0.0020 (4) | −0.0145 (4) |
C10 | 0.0442 (5) | 0.0545 (6) | 0.0630 (7) | 0.0067 (5) | 0.0048 (5) | −0.0087 (5) |
Si1 | 0.05134 (17) | 0.06101 (19) | 0.0858 (3) | 0.02001 (15) | 0.01242 (17) | 0.01272 (18) |
C11 | 0.0562 (7) | 0.0771 (8) | 0.0812 (9) | 0.0202 (6) | 0.0076 (6) | −0.0076 (7) |
C12 | 0.0901 (12) | 0.0519 (8) | 0.287 (3) | 0.0099 (9) | 0.0051 (17) | −0.0259 (14) |
C13 | 0.1220 (12) | 0.267 (2) | 0.0874 (13) | 0.1098 (14) | 0.0227 (11) | 0.0540 (14) |
N2 | 0.0484 (6) | 0.0505 (6) | 0.0597 (6) | −0.0039 (5) | −0.0118 (5) | −0.0209 (5) |
C14 | 0.0436 (6) | 0.0364 (6) | 0.0503 (7) | −0.0102 (5) | −0.0040 (6) | −0.0099 (5) |
C15 | 0.0550 (8) | 0.0529 (8) | 0.0613 (8) | 0.0041 (7) | −0.0097 (7) | −0.0207 (7) |
C16 | 0.0447 (7) | 0.0517 (7) | 0.0532 (7) | −0.0034 (6) | −0.0110 (6) | −0.0174 (6) |
C17 | 0.0364 (6) | 0.0458 (7) | 0.0440 (6) | 0.0002 (5) | −0.0110 (5) | −0.0082 (5) |
C18 | 0.0341 (5) | 0.0412 (6) | 0.0478 (6) | 0.0041 (5) | −0.0167 (5) | −0.0120 (5) |
C19 | 0.0511 (8) | 0.0706 (9) | 0.0522 (7) | −0.0082 (7) | −0.0063 (6) | −0.0254 (7) |
C20 | 0.0567 (9) | 0.0820 (10) | 0.0543 (8) | −0.0203 (8) | 0.0067 (7) | −0.0188 (8) |
C21 | 0.0591 (8) | 0.0629 (8) | 0.0649 (9) | −0.0204 (7) | −0.0016 (7) | −0.0225 (7) |
C22 | 0.0430 (6) | 0.0489 (7) | 0.0441 (6) | 0.0034 (6) | −0.0148 (5) | −0.0106 (6) |
C23 | 0.0537 (7) | 0.0583 (8) | 0.0453 (7) | −0.0061 (7) | −0.0176 (6) | −0.0122 (6) |
Si2 | 0.0725 (3) | 0.0670 (3) | 0.0610 (3) | −0.0286 (2) | −0.0146 (2) | −0.0129 (2) |
C24 | 0.095 (2) | 0.064 (2) | 0.106 (2) | −0.0184 (18) | −0.0241 (19) | −0.0105 (19) |
C25 | 0.081 (2) | 0.082 (2) | 0.0831 (19) | −0.0206 (18) | −0.0087 (18) | 0.0037 (19) |
C26 | 0.090 (2) | 0.100 (2) | 0.0773 (18) | −0.0416 (18) | −0.0317 (16) | −0.0097 (18) |
N3 | 0.0559 (14) | 0.0535 (14) | 0.0614 (14) | −0.0058 (13) | −0.0214 (12) | −0.0185 (12) |
C27 | 0.0519 (18) | 0.0511 (18) | 0.0666 (19) | −0.0079 (16) | −0.0203 (16) | −0.0132 (16) |
C28 | 0.077 (2) | 0.076 (2) | 0.078 (2) | 0.008 (2) | −0.0407 (18) | −0.0262 (19) |
C29 | 0.0470 (15) | 0.0506 (16) | 0.0604 (16) | −0.0046 (14) | −0.0199 (13) | −0.0151 (13) |
C30 | 0.0412 (14) | 0.0501 (16) | 0.0502 (15) | 0.0011 (13) | −0.0185 (12) | −0.0106 (13) |
C31 | 0.0391 (14) | 0.0471 (16) | 0.0520 (16) | 0.0027 (13) | −0.0130 (13) | −0.0103 (14) |
C32 | 0.0502 (18) | 0.066 (2) | 0.0552 (19) | −0.0077 (17) | −0.0071 (16) | −0.0209 (17) |
C33 | 0.065 (2) | 0.074 (2) | 0.063 (2) | −0.0187 (19) | −0.0020 (18) | −0.0207 (18) |
C34 | 0.0525 (17) | 0.0578 (18) | 0.0638 (19) | −0.0139 (16) | −0.0021 (16) | −0.0145 (16) |
C35 | 0.0416 (15) | 0.0507 (17) | 0.0468 (15) | 0.0029 (14) | −0.0243 (12) | −0.0127 (14) |
C36 | 0.0574 (18) | 0.0515 (18) | 0.0429 (16) | −0.0073 (16) | −0.0192 (14) | −0.0075 (14) |
Si3 | 0.0768 (7) | 0.0500 (6) | 0.0657 (7) | −0.0164 (6) | −0.0283 (6) | 0.0001 (5) |
C37 | 0.093 (3) | 0.069 (2) | 0.089 (2) | −0.009 (2) | −0.004 (2) | −0.008 (2) |
C38 | 0.075 (3) | 0.080 (3) | 0.083 (2) | −0.006 (2) | −0.012 (2) | 0.001 (3) |
C39 | 0.080 (3) | 0.090 (3) | 0.078 (2) | −0.030 (2) | −0.020 (2) | −0.011 (2) |
C40 | 0.107 (3) | 0.072 (2) | 0.109 (3) | −0.015 (2) | 0.002 (2) | −0.022 (2) |
C41 | 0.098 (2) | 0.078 (2) | 0.079 (2) | −0.017 (2) | −0.010 (2) | 0.004 (2) |
C42 | 0.073 (2) | 0.094 (3) | 0.087 (2) | −0.0482 (19) | −0.0336 (18) | −0.006 (2) |
C46 | 0.077 (3) | 0.090 (3) | 0.087 (3) | −0.014 (3) | −0.011 (2) | 0.010 (3) |
C47 | 0.097 (3) | 0.074 (3) | 0.092 (3) | −0.001 (2) | 0.009 (2) | 0.003 (2) |
C48 | 0.087 (3) | 0.083 (3) | 0.082 (2) | 0.006 (3) | 0.007 (3) | 0.024 (3) |
N1—C1 | 1.2662 (14) | C25—H25C | 0.9800 |
N1—C3 | 1.4220 (13) | C26—H26A | 0.9800 |
C1—C2 | 1.4954 (16) | C26—H26B | 0.9800 |
C1—C1i | 1.5083 (19) | C26—H26C | 0.9800 |
C2—H2A | 0.9800 | N3—C27 | 1.262 (5) |
C2—H2B | 0.9800 | N3—C29 | 1.413 (4) |
C2—H2C | 0.9800 | C27—C27ii | 1.495 (9) |
C3—C8 | 1.3858 (15) | C27—C28 | 1.506 (5) |
C3—C4 | 1.3878 (14) | C28—H28A | 0.9800 |
C4—C5 | 1.4024 (13) | C28—H28B | 0.9800 |
C4—H4A | 0.9500 | C28—H28C | 0.9800 |
C5—C6 | 1.3895 (14) | C29—C30 | 1.3900 |
C5—C9 | 1.4380 (14) | C29—C34 | 1.3900 |
C6—C7 | 1.3837 (16) | C30—C31 | 1.3900 |
C6—H6A | 0.9500 | C30—H30A | 0.9500 |
C7—C8 | 1.3871 (16) | C31—C32 | 1.3900 |
C7—H7A | 0.9500 | C31—C35 | 1.449 (4) |
C8—H8A | 0.9500 | C32—C33 | 1.3900 |
C9—C10 | 1.2010 (16) | C32—H32A | 0.9500 |
C10—Si1 | 1.8423 (12) | C33—C34 | 1.3900 |
Si1—C11 | 1.8370 (13) | C33—H33A | 0.9500 |
Si1—C13 | 1.844 (2) | C34—H34A | 0.9500 |
Si1—C12 | 1.856 (2) | C35—C36 | 1.208 (4) |
C11—H11A | 0.9800 | C36—Si3 | 1.846 (3) |
C11—H11B | 0.9800 | Si3—C47 | 1.834 (5) |
C11—H11C | 0.9800 | Si3—C39 | 1.848 (5) |
C12—H12A | 0.9800 | Si3—C37 | 1.848 (5) |
C12—H12B | 0.9800 | Si3—C48 | 1.851 (5) |
C12—H12C | 0.9800 | Si3—C38 | 1.859 (5) |
C13—H13A | 0.9800 | Si3—C46 | 1.863 (5) |
C13—H13B | 0.9800 | C37—H37A | 0.9800 |
C13—H13C | 0.9800 | C37—H37B | 0.9800 |
N2—C14 | 1.267 (2) | C37—H37C | 0.9800 |
N2—C16 | 1.4112 (15) | C38—H38A | 0.9800 |
C14—C15 | 1.497 (2) | C38—H38B | 0.9800 |
C14—C14ii | 1.508 (3) | C38—H38C | 0.9800 |
C15—H15A | 0.9800 | C39—H39A | 0.9800 |
C15—H15B | 0.9800 | C39—H39B | 0.9800 |
C15—H15C | 0.9800 | C39—H39C | 0.9800 |
C16—C17 | 1.3900 | C40—H40A | 0.9800 |
C16—C21 | 1.3900 | C40—H40B | 0.9800 |
C17—C18 | 1.3900 | C40—H40C | 0.9800 |
C17—H17A | 0.9500 | C41—H41A | 0.9800 |
C18—C19 | 1.3900 | C41—H41B | 0.9800 |
C18—C22 | 1.4393 (16) | C41—H41C | 0.9800 |
C19—C20 | 1.3900 | C42—H42A | 0.9800 |
C19—H19A | 0.9500 | C42—H42B | 0.9800 |
C20—C21 | 1.3900 | C42—H42C | 0.9800 |
C20—H20A | 0.9500 | C43—H43A | 0.9800 |
C21—H21A | 0.9500 | C43—H43B | 0.9800 |
C22—C23 | 1.200 (2) | C43—H43C | 0.9800 |
C23—Si2 | 1.8396 (16) | C44—H44A | 0.9800 |
Si2—C41 | 1.821 (4) | C44—H44B | 0.9800 |
Si2—C26 | 1.821 (4) | C44—H44C | 0.9800 |
Si2—C45 | 1.843 (5) | C45—H45A | 0.9800 |
Si2—C43 | 1.845 (4) | C45—H45B | 0.9800 |
Si2—C40 | 1.849 (4) | C45—H45C | 0.9800 |
Si2—C44 | 1.851 (4) | C46—H46A | 0.9800 |
Si2—C25 | 1.856 (4) | C46—H46B | 0.9800 |
Si2—C42 | 1.868 (4) | C46—H46C | 0.9800 |
Si2—C24 | 1.885 (4) | C47—H47A | 0.9800 |
C24—H24A | 0.9800 | C47—H47B | 0.9800 |
C24—H24B | 0.9800 | C47—H47C | 0.9800 |
C24—H24C | 0.9800 | C48—H48A | 0.9800 |
C25—H25A | 0.9800 | C48—H48B | 0.9800 |
C25—H25B | 0.9800 | C48—H48C | 0.9800 |
C1—N1—C3 | 120.71 (9) | C27—N3—C29 | 122.0 (3) |
N1—C1—C2 | 126.21 (10) | N3—C27—C27ii | 118.3 (4) |
N1—C1—C1i | 116.44 (11) | N3—C27—C28 | 125.2 (4) |
C2—C1—C1i | 117.34 (12) | C27ii—C27—C28 | 116.4 (4) |
C1—C2—H2A | 109.5 | C27—C28—H28A | 109.5 |
C1—C2—H2B | 109.5 | C27—C28—H28B | 109.5 |
H2A—C2—H2B | 109.5 | H28A—C28—H28B | 109.5 |
C1—C2—H2C | 109.5 | C27—C28—H28C | 109.5 |
H2A—C2—H2C | 109.5 | H28A—C28—H28C | 109.5 |
H2B—C2—H2C | 109.5 | H28B—C28—H28C | 109.5 |
C8—C3—C4 | 119.78 (9) | C30—C29—C34 | 120.0 |
C8—C3—N1 | 120.48 (9) | C30—C29—N3 | 119.00 (16) |
C4—C3—N1 | 119.59 (9) | C34—C29—N3 | 120.48 (16) |
C3—C4—C5 | 119.89 (9) | C31—C30—C29 | 120.0 |
C3—C4—H4A | 120.1 | C31—C30—H30A | 120.0 |
C5—C4—H4A | 120.1 | C29—C30—H30A | 120.0 |
C6—C5—C4 | 119.83 (9) | C30—C31—C32 | 120.0 |
C6—C5—C9 | 120.11 (9) | C30—C31—C35 | 119.5 (2) |
C4—C5—C9 | 120.06 (9) | C32—C31—C35 | 120.4 (2) |
C7—C6—C5 | 119.84 (9) | C31—C32—C33 | 120.0 |
C7—C6—H6A | 120.1 | C31—C32—H32A | 120.0 |
C5—C6—H6A | 120.1 | C33—C32—H32A | 120.0 |
C6—C7—C8 | 120.31 (10) | C34—C33—C32 | 120.0 |
C6—C7—H7A | 119.8 | C34—C33—H33A | 120.0 |
C8—C7—H7A | 119.8 | C32—C33—H33A | 120.0 |
C3—C8—C7 | 120.33 (10) | C33—C34—C29 | 120.0 |
C3—C8—H8A | 119.8 | C33—C34—H34A | 120.0 |
C7—C8—H8A | 119.8 | C29—C34—H34A | 120.0 |
C10—C9—C5 | 179.28 (12) | C36—C35—C31 | 179.1 (4) |
C9—C10—Si1 | 179.04 (13) | C35—C36—Si3 | 175.3 (4) |
C11—Si1—C10 | 108.41 (6) | C47—Si3—C36 | 109.3 (3) |
C11—Si1—C13 | 109.98 (9) | C36—Si3—C39 | 108.3 (3) |
C10—Si1—C13 | 107.50 (9) | C36—Si3—C37 | 108.5 (2) |
C11—Si1—C12 | 109.68 (10) | C39—Si3—C37 | 112.0 (4) |
C10—Si1—C12 | 108.76 (8) | C47—Si3—C48 | 112.0 (4) |
C13—Si1—C12 | 112.40 (13) | C36—Si3—C48 | 110.2 (3) |
Si1—C11—H11A | 109.5 | C36—Si3—C38 | 107.2 (3) |
Si1—C11—H11B | 109.5 | C39—Si3—C38 | 110.4 (3) |
H11A—C11—H11B | 109.5 | C37—Si3—C38 | 110.3 (3) |
Si1—C11—H11C | 109.5 | C47—Si3—C46 | 110.9 (4) |
H11A—C11—H11C | 109.5 | C36—Si3—C46 | 107.2 (3) |
H11B—C11—H11C | 109.5 | C48—Si3—C46 | 107.1 (3) |
Si1—C12—H12A | 109.5 | Si3—C37—H37A | 109.5 |
Si1—C12—H12B | 109.5 | Si3—C37—H37B | 109.5 |
H12A—C12—H12B | 109.5 | H37A—C37—H37B | 109.5 |
Si1—C12—H12C | 109.5 | Si3—C37—H37C | 109.5 |
H12A—C12—H12C | 109.5 | H37A—C37—H37C | 109.5 |
H12B—C12—H12C | 109.5 | H37B—C37—H37C | 109.5 |
Si1—C13—H13A | 109.5 | Si3—C38—H38A | 109.5 |
Si1—C13—H13B | 109.5 | Si3—C38—H38B | 109.5 |
H13A—C13—H13B | 109.5 | H38A—C38—H38B | 109.5 |
Si1—C13—H13C | 109.5 | Si3—C38—H38C | 109.5 |
H13A—C13—H13C | 109.5 | H38A—C38—H38C | 109.5 |
H13B—C13—H13C | 109.5 | H38B—C38—H38C | 109.5 |
C14—N2—C16 | 121.08 (12) | Si3—C39—H39A | 109.5 |
N2—C14—C15 | 126.51 (14) | Si3—C39—H39B | 109.5 |
N2—C14—C14ii | 116.54 (16) | H39A—C39—H39B | 109.5 |
C15—C14—C14ii | 116.91 (17) | Si3—C39—H39C | 109.5 |
C17—C16—C21 | 120.0 | H39A—C39—H39C | 109.5 |
C17—C16—N2 | 119.61 (6) | H39B—C39—H39C | 109.5 |
C21—C16—N2 | 120.12 (6) | Si2—C40—H40A | 109.5 |
C18—C17—C16 | 120.0 | Si2—C40—H40B | 109.5 |
C18—C17—H17A | 120.0 | H40A—C40—H40B | 109.5 |
C16—C17—H17A | 120.0 | Si2—C40—H40C | 109.5 |
C19—C18—C17 | 120.0 | H40A—C40—H40C | 109.5 |
C19—C18—C22 | 119.81 (9) | H40B—C40—H40C | 109.5 |
C17—C18—C22 | 120.10 (9) | Si2—C41—H41A | 109.5 |
C18—C19—C20 | 120.0 | Si2—C41—H41B | 109.5 |
C18—C19—H19A | 120.0 | H41A—C41—H41B | 109.5 |
C20—C19—H19A | 120.0 | Si2—C41—H41C | 109.5 |
C19—C20—C21 | 120.0 | H41A—C41—H41C | 109.5 |
C19—C20—H20A | 120.0 | H41B—C41—H41C | 109.5 |
C21—C20—H20A | 120.0 | Si2—C42—H42A | 109.5 |
C20—C21—C16 | 120.0 | Si2—C42—H42B | 109.5 |
C20—C21—H21A | 120.0 | H42A—C42—H42B | 109.5 |
C16—C21—H21A | 120.0 | Si2—C42—H42C | 109.5 |
C23—C22—C18 | 177.38 (16) | H42A—C42—H42C | 109.5 |
C22—C23—Si2 | 177.45 (15) | H42B—C42—H42C | 109.5 |
C41—Si2—C23 | 112.6 (2) | Si2—C43—H43A | 109.5 |
C26—Si2—C23 | 111.83 (15) | Si2—C43—H43B | 109.5 |
C23—Si2—C45 | 108.5 (2) | H43A—C43—H43B | 109.5 |
C23—Si2—C43 | 107.4 (3) | Si2—C43—H43C | 109.5 |
C45—Si2—C43 | 112.0 (3) | H43A—C43—H43C | 109.5 |
C41—Si2—C40 | 112.0 (3) | H43B—C43—H43C | 109.5 |
C23—Si2—C40 | 106.22 (18) | Si2—C44—H44A | 109.5 |
C23—Si2—C44 | 109.6 (2) | Si2—C44—H44B | 109.5 |
C45—Si2—C44 | 108.8 (3) | H44A—C44—H44B | 109.5 |
C43—Si2—C44 | 110.6 (4) | Si2—C44—H44C | 109.5 |
C26—Si2—C25 | 112.0 (2) | H44A—C44—H44C | 109.5 |
C23—Si2—C25 | 109.81 (17) | H44B—C44—H44C | 109.5 |
C41—Si2—C42 | 111.4 (2) | Si2—C45—H45A | 109.5 |
C23—Si2—C42 | 104.83 (19) | Si2—C45—H45B | 109.5 |
C40—Si2—C42 | 109.4 (3) | H45A—C45—H45B | 109.5 |
C26—Si2—C24 | 108.2 (2) | Si2—C45—H45C | 109.5 |
C23—Si2—C24 | 106.21 (15) | H45A—C45—H45C | 109.5 |
C25—Si2—C24 | 108.5 (2) | H45B—C45—H45C | 109.5 |
Si2—C24—H24A | 109.5 | Si3—C46—H46A | 109.5 |
Si2—C24—H24B | 109.5 | Si3—C46—H46B | 109.5 |
H24A—C24—H24B | 109.5 | H46A—C46—H46B | 109.5 |
Si2—C24—H24C | 109.5 | Si3—C46—H46C | 109.5 |
H24A—C24—H24C | 109.5 | H46A—C46—H46C | 109.5 |
H24B—C24—H24C | 109.5 | H46B—C46—H46C | 109.5 |
Si2—C25—H25A | 109.5 | Si3—C47—H47A | 109.5 |
Si2—C25—H25B | 109.5 | Si3—C47—H47B | 109.5 |
H25A—C25—H25B | 109.5 | H47A—C47—H47B | 109.5 |
Si2—C25—H25C | 109.5 | Si3—C47—H47C | 109.5 |
H25A—C25—H25C | 109.5 | H47A—C47—H47C | 109.5 |
H25B—C25—H25C | 109.5 | H47B—C47—H47C | 109.5 |
Si2—C26—H26A | 109.5 | Si3—C48—H48A | 109.5 |
Si2—C26—H26B | 109.5 | Si3—C48—H48B | 109.5 |
H26A—C26—H26B | 109.5 | H48A—C48—H48B | 109.5 |
Si2—C26—H26C | 109.5 | Si3—C48—H48C | 109.5 |
H26A—C26—H26C | 109.5 | H48A—C48—H48C | 109.5 |
H26B—C26—H26C | 109.5 | H48B—C48—H48C | 109.5 |
Symmetry codes: (i) −x, −y+2, −z+2; (ii) −x, −y+1, −z. |