Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536803025455/hg6001sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536803025455/hg6001Isup2.hkl |
CCDC reference: 232166
Data collection: SMART (Bruker, 2000); cell refinement: SMART; data reduction: SAINT (Bruker, 1999); program(s) used to solve structure: SHELXTL (Bruker, 1997); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.
C14H39N2Si2+·C32H12F24B− | Dx = 1.401 Mg m−3 |
Mr = 1154.88 | Melting point = 366–367 K |
Orthorhombic, Pbcn | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2n 2ab | Cell parameters from 6546 reflections |
a = 17.1047 (11) Å | θ = 2.4–24.8° |
b = 16.8652 (11) Å | µ = 0.18 mm−1 |
c = 18.9828 (12) Å | T = 130 K |
V = 5476.0 (6) Å3 | Block, colourless |
Z = 4 | 0.30 × 0.30 × 0.15 mm |
F(000) = 2360 |
Bruker SMART CCD area-detector diffractometer | 4835 independent reflections |
Radiation source: sealed tube | 3972 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.038 |
φ and ω scans | θmax = 25.0°, θmin = 1.7° |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | h = −19→20 |
Tmin = 0.776, Tmax = 0.970 | k = −20→19 |
29606 measured reflections | l = −12→22 |
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)] = 0.046 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.126 | H atoms treated by a mixture of independent and constrained refinement |
S = 1.04 | w = 1/[σ2(Fo2) + (0.0645P)2 + 2.2182P] where P = (Fo2 + 2Fc2)/3 |
4835 reflections | (Δ/σ)max = 0.010 |
407 parameters | Δρmax = 0.30 e Å−3 |
12 restraints | Δρmin = −0.20 e Å−3 |
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. |
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. |
x | y | z | Uiso*/Ueq | Occ. (<1) | |
B | 0.0000 | 0.52968 (16) | 0.2500 | 0.0279 (6) | |
F1 | 0.00197 (19) | 0.22634 (10) | 0.36552 (18) | 0.1362 (15) | 0.932 (5) |
F2 | −0.10819 (15) | 0.27829 (13) | 0.38253 (15) | 0.1020 (11) | 0.932 (5) |
F3 | −0.03583 (15) | 0.25463 (11) | 0.46816 (10) | 0.0964 (9) | 0.932 (5) |
F4 | 0.20841 (9) | 0.48916 (15) | 0.47793 (11) | 0.0886 (9) | 0.935 (4) |
F5 | 0.12646 (11) | 0.58033 (9) | 0.49429 (9) | 0.0660 (6) | 0.935 (4) |
F6 | 0.11869 (11) | 0.47602 (12) | 0.55491 (7) | 0.0768 (7) | 0.935 (4) |
F7 | 0.2992 (2) | 0.4900 (2) | 0.2179 (4) | 0.090 (2) | 0.633 (13) |
F8 | 0.3392 (4) | 0.5958 (5) | 0.2495 (7) | 0.161 (6) | 0.633 (13) |
F9 | 0.3311 (4) | 0.5727 (6) | 0.1412 (4) | 0.158 (5) | 0.633 (13) |
F7' | 0.2987 (5) | 0.5002 (7) | 0.1604 (7) | 0.176 (11) | 0.367 (13) |
F8' | 0.3122 (5) | 0.5388 (13) | 0.2639 (8) | 0.204 (13) | 0.367 (13) |
F9' | 0.3488 (3) | 0.6084 (5) | 0.1873 (8) | 0.089 (4) | 0.367 (13) |
F10 | 0.17850 (10) | 0.82104 (9) | 0.12066 (11) | 0.0734 (6) | 0.958 (4) |
F11 | 0.07421 (15) | 0.82749 (9) | 0.18080 (11) | 0.0965 (9) | 0.958 (4) |
F12 | 0.07247 (12) | 0.77881 (10) | 0.07797 (11) | 0.0832 (8) | 0.958 (4) |
F5' | 0.1809 (12) | 0.5573 (13) | 0.4709 (11) | 0.052 (7)* | 0.065 (4) |
F4' | 0.1855 (16) | 0.4453 (14) | 0.5170 (14) | 0.074 (8)* | 0.065 (4) |
F6' | 0.1093 (17) | 0.5378 (14) | 0.5362 (17) | 0.083 (10)* | 0.065 (4) |
F1' | −0.0654 (10) | 0.2544 (9) | 0.3501 (8) | 0.028 (5)* | 0.068 (5) |
F3' | 0.0171 (11) | 0.2325 (13) | 0.4243 (12) | 0.060 (8)* | 0.068 (5) |
F2' | −0.0810 (18) | 0.2755 (18) | 0.4454 (10) | 0.084 (10)* | 0.068 (5) |
F11' | 0.0475 (14) | 0.7995 (14) | 0.1239 (15) | 0.027 (8)* | 0.042 (4) |
F10' | 0.140 (2) | 0.838 (2) | 0.1755 (15) | 0.071 (13)* | 0.042 (4) |
F12' | 0.1447 (15) | 0.794 (3) | 0.081 (3) | 0.093 (16)* | 0.042 (4) |
H | 0.5000 | 0.5000 | 0.5000 | 0.089 (13)* | |
C1 | 0.02190 (10) | 0.47629 (10) | 0.31934 (9) | 0.0286 (4) | |
C2 | 0.06887 (11) | 0.50643 (11) | 0.37323 (10) | 0.0312 (4) | |
H2 | 0.0922 | 0.5557 | 0.3670 | 0.037* | |
C3 | 0.08213 (11) | 0.46572 (11) | 0.43579 (10) | 0.0336 (4) | |
C4 | 0.04914 (12) | 0.39169 (12) | 0.44667 (11) | 0.0386 (5) | |
H4 | 0.0583 | 0.3638 | 0.4881 | 0.046* | |
C5 | 0.00233 (12) | 0.36056 (11) | 0.39442 (11) | 0.0372 (5) | |
C6 | −0.01163 (11) | 0.40212 (10) | 0.33250 (10) | 0.0324 (4) | |
H6 | −0.0443 | 0.3799 | 0.2987 | 0.039* | |
C7 | −0.03372 (17) | 0.28042 (14) | 0.40229 (14) | 0.0571 (6) | |
C8 | 0.13377 (13) | 0.50163 (14) | 0.49044 (11) | 0.0437 (5) | |
C9 | 0.07469 (10) | 0.58334 (10) | 0.22370 (9) | 0.0271 (4) | |
C10 | 0.15106 (11) | 0.55463 (11) | 0.22606 (10) | 0.0326 (4) | |
H10 | 0.1600 | 0.5051 | 0.2460 | 0.039* | |
C11 | 0.21409 (11) | 0.59697 (12) | 0.19991 (11) | 0.0370 (5) | |
C12 | 0.20388 (12) | 0.67162 (11) | 0.17113 (10) | 0.0358 (4) | |
H12 | 0.2463 | 0.7009 | 0.1549 | 0.043* | |
C13 | 0.12884 (11) | 0.70139 (11) | 0.16720 (10) | 0.0322 (4) | |
C14 | 0.06571 (11) | 0.65744 (10) | 0.19187 (9) | 0.0298 (4) | |
H14 | 0.0156 | 0.6782 | 0.1870 | 0.036* | |
C15 | 0.29456 (15) | 0.56303 (17) | 0.20276 (18) | 0.0668 (8) | |
C16 | 0.11440 (13) | 0.78135 (13) | 0.13736 (12) | 0.0460 (5) | |
C20 | 0.48948 (16) | 0.51691 (16) | 0.38296 (14) | 0.0635 (7) | |
H20A | 0.5247 | 0.4740 | 0.3733 | 0.095* | |
H20B | 0.5187 | 0.5651 | 0.3885 | 0.095* | |
H20C | 0.4534 | 0.5225 | 0.3445 | 0.095* | |
C21 | 0.36098 (16) | 0.23280 (15) | 0.36181 (15) | 0.0624 (7) | |
H21A | 0.4009 | 0.2285 | 0.3972 | 0.094* | |
H21B | 0.3846 | 0.2447 | 0.3172 | 0.094* | |
H21C | 0.3331 | 0.1835 | 0.3585 | 0.094* | |
C22 | 0.24977 (16) | 0.28984 (17) | 0.47405 (14) | 0.0635 (7) | |
H22A | 0.2140 | 0.3310 | 0.4876 | 0.095* | |
H22B | 0.2910 | 0.2862 | 0.5082 | 0.095* | |
H22C | 0.2225 | 0.2402 | 0.4717 | 0.095* | |
C23 | 0.21431 (15) | 0.32243 (15) | 0.31828 (14) | 0.0592 (7) | |
H23A | 0.1790 | 0.3642 | 0.3312 | 0.089* | |
H23B | 0.1862 | 0.2733 | 0.3150 | 0.089* | |
H23C | 0.2377 | 0.3345 | 0.2736 | 0.089* | |
C17 | 0.34641 (13) | 0.41028 (12) | 0.38717 (12) | 0.0447 (5) | |
H17A | 0.3739 | 0.4157 | 0.3427 | 0.054* | |
H17B | 0.3084 | 0.4529 | 0.3898 | 0.054* | |
C18 | 0.40476 (13) | 0.42136 (12) | 0.44623 (12) | 0.0446 (5) | |
H18A | 0.3777 | 0.4138 | 0.4906 | 0.054* | |
H18B | 0.4440 | 0.3801 | 0.4425 | 0.054* | |
C19 | 0.39093 (16) | 0.56565 (14) | 0.46442 (17) | 0.0670 (8) | |
H19A | 0.3635 | 0.5542 | 0.5074 | 0.100* | |
H19B | 0.3541 | 0.5710 | 0.4266 | 0.100* | |
H19C | 0.4196 | 0.6142 | 0.4696 | 0.100* | |
N | 0.44578 (11) | 0.50013 (10) | 0.44851 (10) | 0.0469 (5) | |
Si1 | 0.29200 (3) | 0.31336 (3) | 0.38616 (3) | 0.03866 (18) |
U11 | U22 | U33 | U12 | U13 | U23 | |
B | 0.0290 (15) | 0.0228 (13) | 0.0318 (15) | 0.000 | 0.0027 (12) | 0.000 |
F1 | 0.200 (3) | 0.0315 (9) | 0.178 (3) | −0.0169 (13) | 0.099 (2) | −0.0148 (13) |
F2 | 0.0894 (17) | 0.0797 (14) | 0.137 (2) | −0.0483 (13) | −0.0356 (16) | 0.0454 (14) |
F3 | 0.136 (2) | 0.0802 (13) | 0.0729 (13) | −0.0485 (13) | −0.0174 (13) | 0.0479 (11) |
F4 | 0.0324 (9) | 0.139 (2) | 0.0947 (15) | 0.0104 (10) | −0.0063 (8) | −0.0619 (14) |
F5 | 0.0868 (14) | 0.0540 (10) | 0.0572 (10) | 0.0022 (8) | −0.0218 (9) | −0.0141 (8) |
F6 | 0.0982 (14) | 0.1013 (15) | 0.0308 (8) | −0.0204 (11) | −0.0164 (8) | 0.0131 (8) |
F7 | 0.049 (2) | 0.064 (3) | 0.158 (5) | 0.0267 (16) | 0.008 (3) | 0.031 (3) |
F8 | 0.067 (4) | 0.149 (6) | 0.267 (14) | 0.026 (3) | −0.091 (7) | −0.051 (7) |
F9 | 0.086 (5) | 0.262 (11) | 0.125 (5) | 0.097 (6) | 0.071 (4) | 0.100 (7) |
F7' | 0.089 (6) | 0.158 (12) | 0.28 (2) | 0.076 (7) | −0.021 (10) | −0.128 (15) |
F8' | 0.042 (5) | 0.39 (3) | 0.180 (14) | 0.039 (10) | −0.002 (6) | 0.204 (19) |
F9' | 0.023 (3) | 0.092 (5) | 0.151 (9) | −0.001 (2) | 0.017 (5) | 0.058 (6) |
F10 | 0.0646 (11) | 0.0463 (9) | 0.1092 (15) | −0.0161 (7) | 0.0059 (10) | 0.0332 (9) |
F11 | 0.144 (2) | 0.0393 (8) | 0.1065 (16) | 0.0343 (10) | 0.0621 (14) | 0.0220 (9) |
F12 | 0.1033 (15) | 0.0633 (10) | 0.0831 (15) | −0.0088 (10) | −0.0404 (12) | 0.0383 (10) |
C1 | 0.0293 (10) | 0.0258 (9) | 0.0306 (9) | 0.0034 (7) | 0.0040 (8) | 0.0000 (7) |
C2 | 0.0317 (10) | 0.0291 (9) | 0.0327 (10) | 0.0007 (8) | 0.0050 (8) | 0.0008 (8) |
C3 | 0.0301 (10) | 0.0390 (10) | 0.0315 (10) | 0.0066 (8) | 0.0044 (8) | −0.0007 (8) |
C4 | 0.0390 (11) | 0.0413 (11) | 0.0354 (11) | 0.0083 (9) | 0.0046 (9) | 0.0104 (9) |
C5 | 0.0404 (11) | 0.0311 (10) | 0.0401 (11) | 0.0016 (8) | 0.0080 (9) | 0.0077 (9) |
C6 | 0.0332 (10) | 0.0292 (9) | 0.0346 (10) | −0.0006 (8) | 0.0036 (8) | 0.0007 (8) |
C7 | 0.0730 (18) | 0.0411 (13) | 0.0572 (15) | −0.0077 (12) | 0.0043 (14) | 0.0159 (12) |
C8 | 0.0402 (12) | 0.0555 (13) | 0.0353 (11) | 0.0088 (10) | 0.0023 (9) | −0.0034 (10) |
C9 | 0.0321 (10) | 0.0254 (9) | 0.0236 (9) | 0.0009 (7) | 0.0012 (7) | −0.0020 (7) |
C10 | 0.0360 (11) | 0.0283 (9) | 0.0336 (10) | 0.0040 (8) | 0.0022 (8) | 0.0039 (8) |
C11 | 0.0308 (10) | 0.0405 (11) | 0.0396 (11) | 0.0027 (8) | 0.0039 (8) | 0.0053 (9) |
C12 | 0.0336 (11) | 0.0382 (10) | 0.0356 (10) | −0.0056 (8) | 0.0066 (8) | 0.0035 (8) |
C13 | 0.0377 (11) | 0.0304 (10) | 0.0285 (9) | −0.0011 (8) | 0.0012 (8) | 0.0008 (8) |
C14 | 0.0312 (10) | 0.0287 (9) | 0.0296 (9) | 0.0015 (8) | −0.0005 (8) | 0.0012 (8) |
C15 | 0.0387 (14) | 0.0666 (17) | 0.095 (2) | 0.0092 (13) | 0.0150 (15) | 0.0319 (18) |
C16 | 0.0492 (13) | 0.0370 (11) | 0.0519 (13) | −0.0031 (10) | 0.0052 (11) | 0.0115 (10) |
C20 | 0.0579 (16) | 0.0576 (15) | 0.0751 (18) | −0.0116 (12) | 0.0116 (13) | 0.0035 (13) |
C21 | 0.0668 (16) | 0.0557 (14) | 0.0646 (16) | 0.0232 (13) | −0.0082 (13) | −0.0202 (13) |
C22 | 0.0576 (16) | 0.0701 (17) | 0.0629 (16) | 0.0043 (13) | 0.0132 (13) | 0.0129 (13) |
C23 | 0.0492 (14) | 0.0641 (15) | 0.0642 (16) | 0.0055 (12) | −0.0088 (12) | −0.0053 (13) |
C17 | 0.0501 (13) | 0.0394 (11) | 0.0446 (12) | −0.0013 (9) | 0.0048 (10) | −0.0010 (9) |
C18 | 0.0469 (13) | 0.0366 (11) | 0.0502 (13) | −0.0041 (9) | 0.0015 (10) | −0.0035 (10) |
C19 | 0.0566 (16) | 0.0436 (13) | 0.101 (2) | 0.0030 (11) | 0.0027 (15) | −0.0206 (14) |
N | 0.0428 (10) | 0.0360 (9) | 0.0618 (12) | −0.0028 (8) | 0.0055 (9) | −0.0072 (9) |
Si1 | 0.0362 (3) | 0.0352 (3) | 0.0446 (3) | 0.0032 (2) | 0.0024 (2) | −0.0052 (2) |
B—C1i | 1.638 (2) | C9—C10 | 1.394 (3) |
B—C1 | 1.638 (2) | C9—C14 | 1.397 (2) |
B—C9 | 1.643 (2) | C10—C11 | 1.385 (3) |
B—C9i | 1.643 (2) | C10—H10 | 0.9300 |
F1—C7 | 1.301 (3) | C11—C12 | 1.383 (3) |
F2—C7 | 1.328 (3) | C11—C15 | 1.492 (3) |
F3—C7 | 1.324 (3) | C12—C13 | 1.380 (3) |
F4—C8 | 1.315 (3) | C12—H12 | 0.9300 |
F5—C8 | 1.335 (3) | C13—C14 | 1.391 (3) |
F6—C8 | 1.323 (3) | C13—C16 | 1.483 (3) |
F7—C15 | 1.266 (5) | C14—H14 | 0.9300 |
F8—C15 | 1.294 (6) | C20—N | 1.479 (3) |
F9—C15 | 1.334 (5) | C20—H20A | 0.9600 |
F7'—C15 | 1.333 (8) | C20—H20B | 0.9600 |
F8'—C15 | 1.267 (9) | C20—H20C | 0.9600 |
F9'—C15 | 1.238 (6) | C21—Si1 | 1.858 (2) |
F10—C16 | 1.323 (3) | C21—H21A | 0.9600 |
F11—C16 | 1.326 (3) | C21—H21B | 0.9600 |
F12—C16 | 1.337 (3) | C21—H21C | 0.9600 |
F5'—C8 | 1.29 (2) | C22—Si1 | 1.861 (3) |
F4'—C8 | 1.39 (3) | C22—H22A | 0.9600 |
F6'—C8 | 1.14 (3) | C22—H22B | 0.9600 |
F1'—C7 | 1.211 (15) | C22—H22C | 0.9600 |
F3'—C7 | 1.26 (2) | C23—Si1 | 1.857 (3) |
F2'—C7 | 1.15 (3) | C23—H23A | 0.9600 |
F11'—C16 | 1.21 (2) | C23—H23B | 0.9600 |
F10'—C16 | 1.27 (4) | C23—H23C | 0.9600 |
F12'—C16 | 1.21 (5) | C17—C18 | 1.512 (3) |
C1—C2 | 1.397 (3) | C17—Si1 | 1.881 (2) |
C1—C6 | 1.399 (3) | C17—H17A | 0.9700 |
C2—C3 | 1.390 (3) | C17—H17B | 0.9700 |
C2—H2 | 0.9300 | C18—N | 1.503 (3) |
C3—C4 | 1.385 (3) | C18—H18A | 0.9700 |
C3—C8 | 1.491 (3) | C18—H18B | 0.9700 |
C4—C5 | 1.379 (3) | C19—N | 1.481 (3) |
C4—H4 | 0.9300 | C19—H19A | 0.9600 |
C5—C6 | 1.389 (3) | C19—H19B | 0.9600 |
C5—C7 | 1.493 (3) | C19—H19C | 0.9600 |
C6—H6 | 0.9300 | N—H | 1.3474 (19) |
C1i—B—C1 | 113.3 (2) | F8'—C15—C11 | 112.1 (6) |
C1i—B—C9 | 103.68 (8) | F7—C15—C11 | 116.1 (3) |
C1—B—C9 | 111.66 (9) | F8—C15—C11 | 113.9 (4) |
C1i—B—C9i | 111.66 (9) | F7'—C15—C11 | 109.4 (4) |
C1—B—C9i | 103.68 (8) | F9—C15—C11 | 110.7 (3) |
C9—B—C9i | 113.2 (2) | F12'—C16—F11 | 132 (2) |
C2—C1—C6 | 115.51 (16) | F11'—C16—F11 | 59.6 (13) |
C2—C1—B | 121.34 (15) | F10'—C16—F11 | 52.1 (16) |
C6—C1—B | 122.77 (16) | F12'—C16—F10 | 48.8 (19) |
C3—C2—C1 | 122.67 (17) | F11'—C16—F10 | 127.2 (12) |
C3—C2—H2 | 118.7 | F10'—C16—F10 | 58.3 (14) |
C1—C2—H2 | 118.7 | F11—C16—F10 | 106.4 (2) |
C4—C3—C2 | 120.39 (18) | F11—C16—F12 | 105.4 (2) |
C4—C3—C8 | 120.24 (18) | F10—C16—F12 | 104.99 (19) |
C2—C3—C8 | 119.36 (18) | F12'—C16—C13 | 115 (2) |
C5—C4—C3 | 118.19 (18) | F11'—C16—C13 | 117.8 (11) |
C5—C4—H4 | 120.9 | F10'—C16—C13 | 113.8 (17) |
C3—C4—H4 | 120.9 | F11—C16—C13 | 112.49 (18) |
C4—C5—C6 | 121.09 (18) | F10—C16—C13 | 114.42 (19) |
C4—C5—C7 | 120.84 (19) | F12—C16—C13 | 112.46 (18) |
C6—C5—C7 | 118.06 (19) | N—C20—H20A | 109.5 |
C5—C6—C1 | 122.13 (18) | N—C20—H20B | 109.5 |
C5—C6—H6 | 118.9 | H20A—C20—H20B | 109.5 |
C1—C6—H6 | 118.9 | N—C20—H20C | 109.5 |
F2'—C7—F1' | 103.9 (11) | H20A—C20—H20C | 109.5 |
F2'—C7—F3' | 101.6 (12) | H20B—C20—H20C | 109.5 |
F1'—C7—F3' | 110.4 (10) | Si1—C21—H21A | 109.5 |
F1—C7—F3 | 106.8 (2) | Si1—C21—H21B | 109.5 |
F1—C7—F2 | 106.2 (3) | H21A—C21—H21B | 109.5 |
F3—C7—F2 | 103.4 (2) | Si1—C21—H21C | 109.5 |
F2'—C7—C5 | 115.2 (15) | H21A—C21—H21C | 109.5 |
F1'—C7—C5 | 115.5 (8) | H21B—C21—H21C | 109.5 |
F3'—C7—C5 | 109.2 (10) | Si1—C22—H22A | 109.5 |
F1—C7—C5 | 112.8 (2) | Si1—C22—H22B | 109.5 |
F3—C7—C5 | 113.8 (2) | H22A—C22—H22B | 109.5 |
F2—C7—C5 | 113.1 (2) | Si1—C22—H22C | 109.5 |
F6'—C8—F5' | 93.3 (14) | H22A—C22—H22C | 109.5 |
F4—C8—F6 | 107.7 (2) | H22B—C22—H22C | 109.5 |
F4—C8—F5 | 105.1 (2) | Si1—C23—H23A | 109.5 |
F6—C8—F5 | 104.81 (18) | Si1—C23—H23B | 109.5 |
F6'—C8—F4' | 108.8 (16) | H23A—C23—H23B | 109.5 |
F5'—C8—F4' | 101.7 (11) | Si1—C23—H23C | 109.5 |
F6'—C8—C3 | 122.0 (15) | H23A—C23—H23C | 109.5 |
F5'—C8—C3 | 117.7 (9) | H23B—C23—H23C | 109.5 |
F4—C8—C3 | 112.61 (18) | C18—C17—Si1 | 116.20 (15) |
F6—C8—C3 | 113.28 (19) | C18—C17—H17A | 108.2 |
F5—C8—C3 | 112.73 (18) | Si1—C17—H17A | 108.2 |
F4'—C8—C3 | 110.6 (11) | C18—C17—H17B | 108.2 |
C10—C9—C14 | 115.33 (16) | Si1—C17—H17B | 108.2 |
C10—C9—B | 121.83 (15) | H17A—C17—H17B | 107.4 |
C14—C9—B | 122.60 (16) | N—C18—C17 | 116.02 (18) |
C11—C10—C9 | 122.61 (17) | N—C18—H18A | 108.3 |
C11—C10—H10 | 118.7 | C17—C18—H18A | 108.3 |
C9—C10—H10 | 118.7 | N—C18—H18B | 108.3 |
C12—C11—C10 | 120.82 (18) | C17—C18—H18B | 108.3 |
C12—C11—C15 | 118.68 (19) | H18A—C18—H18B | 107.4 |
C10—C11—C15 | 120.50 (18) | N—C19—H19A | 109.5 |
C13—C12—C11 | 118.02 (17) | N—C19—H19B | 109.5 |
C13—C12—H12 | 121.0 | H19A—C19—H19B | 109.5 |
C11—C12—H12 | 121.0 | N—C19—H19C | 109.5 |
C12—C13—C14 | 120.66 (17) | H19A—C19—H19C | 109.5 |
C12—C13—C16 | 120.41 (17) | H19B—C19—H19C | 109.5 |
C14—C13—C16 | 118.93 (18) | C20—N—C19 | 110.4 (2) |
C13—C14—C9 | 122.49 (17) | C20—N—C18 | 112.39 (18) |
C13—C14—H14 | 118.8 | C19—N—C18 | 111.69 (17) |
C9—C14—H14 | 118.8 | C20—N—H | 105.24 (16) |
F9'—C15—F8' | 103.8 (5) | C19—N—H | 106.82 (17) |
F7—C15—F8 | 102.9 (4) | C18—N—H | 109.93 (15) |
F9'—C15—F7' | 108.0 (6) | C23—Si1—C21 | 110.01 (12) |
F8'—C15—F7' | 106.5 (8) | C23—Si1—C22 | 111.22 (13) |
F9'—C15—F9 | 50.7 (4) | C21—Si1—C22 | 108.28 (13) |
F8'—C15—F9 | 136.9 (5) | C23—Si1—C17 | 106.83 (11) |
F7—C15—F9 | 106.7 (4) | C21—Si1—C17 | 108.89 (12) |
F8—C15—F9 | 105.8 (5) | C22—Si1—C17 | 111.60 (12) |
F9'—C15—C11 | 116.5 (4) | ||
C1i—B—C1—C2 | 155.61 (18) | C1i—B—C9—C14 | 89.4 (2) |
C9—B—C1—C2 | 39.0 (2) | C1—B—C9—C14 | −148.25 (16) |
C9i—B—C1—C2 | −83.16 (17) | C9i—B—C9—C14 | −31.73 (13) |
C1i—B—C1—C6 | −31.82 (13) | C14—C9—C10—C11 | 1.1 (3) |
C9—B—C1—C6 | −148.44 (17) | B—C9—C10—C11 | 175.69 (16) |
C9i—B—C1—C6 | 89.4 (2) | C9—C10—C11—C12 | 1.4 (3) |
C6—C1—C2—C3 | 0.4 (3) | C9—C10—C11—C15 | −179.1 (2) |
B—C1—C2—C3 | 173.43 (15) | C10—C11—C12—C13 | −2.1 (3) |
C1—C2—C3—C4 | 0.8 (3) | C15—C11—C12—C13 | 178.4 (2) |
C1—C2—C3—C8 | 179.33 (17) | C11—C12—C13—C14 | 0.3 (3) |
C2—C3—C4—C5 | −0.9 (3) | C11—C12—C13—C16 | 179.52 (19) |
C8—C3—C4—C5 | −179.45 (18) | C12—C13—C14—C9 | 2.3 (3) |
C3—C4—C5—C6 | −0.1 (3) | C16—C13—C14—C9 | −176.92 (18) |
C3—C4—C5—C7 | 178.8 (2) | C10—C9—C14—C13 | −2.9 (3) |
C4—C5—C6—C1 | 1.3 (3) | B—C9—C14—C13 | −177.45 (15) |
C7—C5—C6—C1 | −177.67 (19) | C12—C11—C15—F9' | 9.1 (9) |
C2—C1—C6—C5 | −1.4 (3) | C10—C11—C15—F9' | −170.5 (9) |
B—C1—C6—C5 | −174.33 (16) | C12—C11—C15—F8' | 128.4 (12) |
C4—C5—C7—F2' | 67.7 (13) | C10—C11—C15—F8' | −51.1 (12) |
C6—C5—C7—F2' | −113.4 (13) | C12—C11—C15—F7 | −168.1 (4) |
C4—C5—C7—F1' | −171.0 (10) | C10—C11—C15—F7 | 12.4 (5) |
C6—C5—C7—F1' | 8.0 (10) | C12—C11—C15—F8 | 72.8 (8) |
C4—C5—C7—F3' | −45.8 (10) | C10—C11—C15—F8 | −106.8 (7) |
C6—C5—C7—F3' | 133.1 (10) | C12—C11—C15—F7' | −113.7 (8) |
C4—C5—C7—F1 | −103.3 (3) | C10—C11—C15—F7' | 66.8 (8) |
C6—C5—C7—F1 | 75.6 (3) | C12—C11—C15—F9 | −46.3 (6) |
C4—C5—C7—F3 | 18.5 (3) | C10—C11—C15—F9 | 134.2 (6) |
C6—C5—C7—F3 | −162.5 (2) | C12—C13—C16—F12' | 50 (2) |
C4—C5—C7—F2 | 136.1 (3) | C14—C13—C16—F12' | −131 (2) |
C6—C5—C7—F2 | −44.9 (3) | C12—C13—C16—F11' | 167.7 (15) |
C4—C3—C8—F6' | −86.3 (16) | C14—C13—C16—F11' | −13.1 (15) |
C2—C3—C8—F6' | 95.1 (16) | C12—C13—C16—F10' | −68.9 (17) |
C4—C3—C8—F5' | 159.7 (11) | C14—C13—C16—F10' | 110.3 (17) |
C2—C3—C8—F5' | −18.8 (11) | C12—C13—C16—F11 | −126.0 (2) |
C4—C3—C8—F4 | 96.1 (3) | C14—C13—C16—F11 | 53.2 (3) |
C2—C3—C8—F4 | −82.5 (3) | C12—C13—C16—F10 | −4.5 (3) |
C4—C3—C8—F6 | −26.4 (3) | C14—C13—C16—F10 | 174.75 (19) |
C2—C3—C8—F6 | 155.00 (19) | C12—C13—C16—F12 | 115.2 (2) |
C4—C3—C8—F5 | −145.3 (2) | C14—C13—C16—F12 | −65.6 (3) |
C2—C3—C8—F5 | 36.2 (3) | Si1—C17—C18—N | −177.67 (15) |
C4—C3—C8—F4' | 43.5 (12) | C17—C18—N—C20 | −58.6 (3) |
C2—C3—C8—F4' | −135.0 (11) | C17—C18—N—C19 | 66.2 (3) |
C1i—B—C9—C10 | −84.75 (18) | C18—C17—Si1—C23 | 171.01 (17) |
C1—B—C9—C10 | 37.6 (2) | C18—C17—Si1—C21 | −70.2 (2) |
C9i—B—C9—C10 | 154.11 (18) | C18—C17—Si1—C22 | 49.2 (2) |
Symmetry code: (i) −x, y, −z+1/2. |