Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806026602/hg2040sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536806026602/hg2040Isup2.hkl |
CCDC reference: 618212
Key indicators
- Single-crystal X-ray study
- T = 104 K
- Mean (C-C) = 0.003 Å
- R factor = 0.037
- wR factor = 0.103
- Data-to-parameter ratio = 17.6
checkCIF/PLATON results
No syntax errors found
Alert level C PLAT062_ALERT_4_C Rescale T(min) & T(max) by ..................... 0.94 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 131 C1 -C3 -SC1 -C19 119.10 0.80 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 132 C5 -C3 -SC1 -C19 4.40 0.90 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 133 C4 -C3 -SC1 -C19 -117.00 0.80 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 184 C11 -C19 -SC1 -C3 96.00 0.80 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 185 C17 -C19 -SC1 -C3 -19.20 0.90 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 186 C20 -C19 -SC1 -C3 -140.50 0.80 1.555 1.555 1.555 1.555
Alert level G ABSTM02_ALERT_3_G When printed, the submitted absorption T values will be replaced by the scaled T values. Since the ratio of scaled T's is identical to the ratio of reported T values, the scaling does not imply a change to the absorption corrections used in the study. Ratio of Tmax expected/reported 0.937 Tmax scaled 0.937 Tmin scaled 0.862
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 7 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 7 ALERT type 4 Improvement, methodology, query or suggestion
Data collection: SMART (Bruker, 2005); cell refinement: SAINT (Bruker, 2005); data reduction: SAINT; program(s) used to solve structure: SIR92 (Altomare et al., 1993); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 (Farrugia, 1997); software used to prepare material for publication: SHELXL97.
[Sc(C10H15)2(C4H11Si)] | F(000) = 880 |
Mr = 402.62 | Dx = 1.115 Mg m−3 |
Monoclinic, P21/c | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2ybc | Cell parameters from 4818 reflections |
a = 14.7186 (15) Å | θ = 3.3–26.4° |
b = 11.1667 (11) Å | µ = 0.36 mm−1 |
c = 15.2229 (15) Å | T = 104 K |
β = 106.493 (1)° | Plate, colorless |
V = 2399.1 (4) Å3 | 0.33 × 0.19 × 0.18 mm |
Z = 4 |
Siemens SMART CCD diffractometer | 4353 independent reflections |
Radiation source: fine-focus sealed tube | 3619 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.018 |
Detector resolution: 83.23 pixels mm-1 | θmax = 25.4°, θmin = 3.3° |
ω scans | h = −15→17 |
Absorption correction: multi-scan (SADABS; Bruker, 2005) | k = −8→13 |
Tmin = 0.92, Tmax = 1.00 | l = −18→18 |
10986 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)] = 0.037 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.103 | H-atom parameters constrained |
S = 1.08 | w = 1/[σ2(Fo2) + (0.0597P)2 + 0.888P] where P = (Fo2 + 2Fc2)/3 |
4353 reflections | (Δ/σ)max = 0.018 |
248 parameters | Δρmax = 0.35 e Å−3 |
0 restraints | Δρmin = −0.29 e Å−3 |
Experimental. 1H NMR (benzene-d6, 400 MHz): δ 1.86 (s, 30 H), 0.42 (s, 2 H), 0.37 (s, 9 H). |
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 | ||
C1 | 0.19148 (13) | −0.00287 (17) | 0.50163 (12) | 0.0220 (4) | |
C2 | 0.19899 (16) | −0.12446 (19) | 0.54558 (14) | 0.0332 (5) | |
H2A | 0.2632 | −0.1559 | 0.5549 | 0.050* | |
H2B | 0.1532 | −0.1789 | 0.5057 | 0.050* | |
H2C | 0.1855 | −0.1179 | 0.6048 | 0.050* | |
C3 | 0.25651 (13) | 0.09229 (18) | 0.52862 (12) | 0.0223 (4) | |
C4 | 0.35164 (14) | 0.0880 (2) | 0.59955 (13) | 0.0326 (5) | |
H4A | 0.4017 | 0.1039 | 0.5702 | 0.049* | |
H4B | 0.3612 | 0.0085 | 0.6280 | 0.049* | |
H4C | 0.3539 | 0.1487 | 0.6466 | 0.049* | |
C5 | 0.21557 (13) | 0.19669 (17) | 0.48043 (12) | 0.0230 (4) | |
C6 | 0.25857 (16) | 0.31956 (19) | 0.49936 (14) | 0.0342 (5) | |
H6A | 0.2668 | 0.3404 | 0.5637 | 0.051* | |
H6B | 0.2166 | 0.3781 | 0.4598 | 0.051* | |
H6C | 0.3203 | 0.3203 | 0.4869 | 0.051* | |
C7 | 0.12494 (13) | 0.16564 (17) | 0.42299 (12) | 0.0227 (4) | |
C8 | 0.04720 (16) | 0.2516 (2) | 0.37564 (15) | 0.0358 (5) | |
H8A | 0.0188 | 0.2254 | 0.3123 | 0.054* | |
H8B | 0.0738 | 0.3320 | 0.3757 | 0.054* | |
H8C | −0.0015 | 0.2531 | 0.4082 | 0.054* | |
C9 | 0.11112 (13) | 0.04172 (17) | 0.43373 (13) | 0.0234 (4) | |
C10 | 0.02248 (14) | −0.0274 (2) | 0.38688 (15) | 0.0345 (5) | |
H10A | −0.0182 | −0.0327 | 0.4277 | 0.052* | |
H10B | 0.0397 | −0.1081 | 0.3721 | 0.052* | |
H10C | −0.0116 | 0.0139 | 0.3303 | 0.052* | |
C11 | 0.32722 (13) | 0.05978 (16) | 0.24156 (12) | 0.0194 (4) | |
C12 | 0.41257 (13) | −0.01012 (18) | 0.23678 (13) | 0.0248 (4) | |
H12A | 0.4266 | 0.0073 | 0.1789 | 0.037* | |
H12B | 0.4000 | −0.0959 | 0.2402 | 0.037* | |
H12C | 0.4670 | 0.0125 | 0.2881 | 0.037* | |
C13 | 0.32858 (12) | 0.17712 (16) | 0.27763 (11) | 0.0202 (4) | |
C14 | 0.41661 (14) | 0.24392 (18) | 0.32989 (13) | 0.0278 (4) | |
H14A | 0.4549 | 0.2630 | 0.2886 | 0.042* | |
H14B | 0.4536 | 0.1938 | 0.3803 | 0.042* | |
H14C | 0.3984 | 0.3182 | 0.3547 | 0.042* | |
C15 | 0.23403 (13) | 0.22105 (17) | 0.25332 (12) | 0.0213 (4) | |
C16 | 0.20612 (15) | 0.34975 (17) | 0.25967 (14) | 0.0286 (4) | |
H16A | 0.2520 | 0.3884 | 0.3114 | 0.043* | |
H16B | 0.1429 | 0.3531 | 0.2690 | 0.043* | |
H16C | 0.2052 | 0.3915 | 0.2028 | 0.043* | |
C17 | 0.17380 (12) | 0.12826 (17) | 0.20632 (12) | 0.0212 (4) | |
C18 | 0.06935 (13) | 0.1378 (2) | 0.15701 (14) | 0.0318 (5) | |
H18A | 0.0606 | 0.1427 | 0.0908 | 0.048* | |
H18B | 0.0434 | 0.2099 | 0.1776 | 0.048* | |
H18C | 0.0364 | 0.0671 | 0.1706 | 0.048* | |
C19 | 0.23141 (13) | 0.02893 (17) | 0.19920 (11) | 0.0197 (4) | |
C20 | 0.19606 (14) | −0.08351 (18) | 0.14581 (13) | 0.0274 (4) | |
H20A | 0.1359 | −0.1078 | 0.1561 | 0.041* | |
H20B | 0.2429 | −0.1475 | 0.1662 | 0.041* | |
H20C | 0.1864 | −0.0684 | 0.0804 | 0.041* | |
C21 | 0.34351 (13) | −0.10733 (17) | 0.41195 (12) | 0.0221 (4) | |
H21A | 0.4009 | −0.0883 | 0.3931 | 0.027* | |
H21B | 0.3631 | −0.1031 | 0.4797 | 0.027* | |
C22 | 0.37116 (16) | −0.36611 (19) | 0.48853 (14) | 0.0340 (5) | |
H22A | 0.4405 | −0.3606 | 0.5073 | 0.051* | |
H22B | 0.3521 | −0.4494 | 0.4732 | 0.051* | |
H22C | 0.3468 | −0.3392 | 0.5388 | 0.051* | |
C23 | 0.19135 (14) | −0.3072 (2) | 0.33917 (15) | 0.0364 (5) | |
H23A | 0.1601 | −0.2959 | 0.3875 | 0.055* | |
H23B | 0.1848 | −0.3909 | 0.3189 | 0.055* | |
H23C | 0.1618 | −0.2549 | 0.2872 | 0.055* | |
C24 | 0.37993 (15) | −0.32624 (18) | 0.29862 (14) | 0.0327 (5) | |
H24A | 0.3505 | −0.2890 | 0.2390 | 0.049* | |
H24B | 0.3722 | −0.4133 | 0.2933 | 0.049* | |
H24C | 0.4476 | −0.3064 | 0.3185 | 0.049* | |
Si1 | 0.32146 (4) | −0.26848 (5) | 0.38526 (3) | 0.02230 (14) | |
Sc1 | 0.24613 (2) | 0.05320 (3) | 0.36580 (2) | 0.01649 (12) |
U11 | U22 | U33 | U12 | U13 | U23 | |
C1 | 0.0276 (10) | 0.0231 (10) | 0.0199 (9) | 0.0010 (8) | 0.0142 (8) | 0.0006 (8) |
C2 | 0.0459 (13) | 0.0281 (11) | 0.0331 (11) | 0.0045 (10) | 0.0234 (10) | 0.0088 (9) |
C3 | 0.0235 (9) | 0.0285 (10) | 0.0167 (8) | 0.0008 (8) | 0.0086 (7) | −0.0035 (8) |
C4 | 0.0294 (11) | 0.0473 (13) | 0.0192 (9) | 0.0026 (10) | 0.0036 (8) | −0.0048 (9) |
C5 | 0.0277 (10) | 0.0226 (10) | 0.0224 (9) | −0.0016 (8) | 0.0130 (8) | −0.0049 (8) |
C6 | 0.0459 (13) | 0.0252 (11) | 0.0355 (11) | −0.0089 (10) | 0.0184 (10) | −0.0113 (9) |
C7 | 0.0240 (9) | 0.0237 (10) | 0.0226 (9) | 0.0051 (8) | 0.0105 (8) | 0.0002 (8) |
C8 | 0.0321 (11) | 0.0418 (13) | 0.0363 (11) | 0.0161 (10) | 0.0143 (9) | 0.0055 (10) |
C9 | 0.0214 (9) | 0.0280 (11) | 0.0241 (9) | −0.0013 (8) | 0.0117 (8) | −0.0043 (8) |
C10 | 0.0260 (11) | 0.0414 (13) | 0.0385 (12) | −0.0098 (9) | 0.0130 (9) | −0.0118 (10) |
C11 | 0.0214 (9) | 0.0226 (10) | 0.0154 (8) | −0.0002 (7) | 0.0072 (7) | 0.0036 (7) |
C12 | 0.0237 (10) | 0.0277 (10) | 0.0257 (9) | 0.0014 (8) | 0.0115 (8) | 0.0014 (8) |
C13 | 0.0221 (9) | 0.0215 (10) | 0.0180 (8) | −0.0024 (7) | 0.0072 (7) | 0.0031 (7) |
C14 | 0.0269 (10) | 0.0286 (11) | 0.0275 (10) | −0.0061 (8) | 0.0070 (8) | −0.0012 (8) |
C15 | 0.0265 (10) | 0.0202 (10) | 0.0181 (8) | 0.0017 (8) | 0.0075 (7) | 0.0034 (7) |
C16 | 0.0360 (11) | 0.0206 (10) | 0.0307 (10) | 0.0042 (8) | 0.0118 (9) | 0.0053 (8) |
C17 | 0.0208 (9) | 0.0253 (10) | 0.0170 (8) | 0.0023 (7) | 0.0043 (7) | 0.0037 (7) |
C18 | 0.0237 (10) | 0.0379 (12) | 0.0300 (10) | 0.0042 (9) | 0.0017 (8) | 0.0006 (9) |
C19 | 0.0228 (9) | 0.0224 (10) | 0.0143 (8) | −0.0008 (7) | 0.0058 (7) | 0.0012 (7) |
C20 | 0.0313 (11) | 0.0265 (10) | 0.0236 (9) | −0.0039 (9) | 0.0066 (8) | −0.0052 (8) |
C21 | 0.0251 (10) | 0.0211 (10) | 0.0217 (9) | 0.0035 (8) | 0.0090 (8) | 0.0028 (7) |
C22 | 0.0420 (12) | 0.0214 (10) | 0.0355 (11) | −0.0013 (9) | 0.0062 (9) | 0.0054 (9) |
C23 | 0.0270 (11) | 0.0366 (12) | 0.0428 (12) | −0.0036 (9) | 0.0053 (10) | −0.0055 (10) |
C24 | 0.0404 (12) | 0.0222 (10) | 0.0385 (11) | 0.0016 (9) | 0.0163 (10) | −0.0046 (9) |
Si1 | 0.0223 (3) | 0.0200 (3) | 0.0246 (3) | 0.0021 (2) | 0.0065 (2) | 0.0004 (2) |
Sc1 | 0.01779 (19) | 0.01618 (19) | 0.01600 (18) | 0.00044 (13) | 0.00563 (13) | 0.00008 (13) |
C1—C3 | 1.411 (3) | C13—C14 | 1.511 (3) |
C1—C9 | 1.422 (3) | C13—Sc1 | 2.4726 (17) |
C1—C2 | 1.504 (3) | C14—H14A | 0.9800 |
C1—Sc1 | 2.5018 (17) | C14—H14B | 0.9800 |
C2—H2A | 0.9800 | C14—H14C | 0.9800 |
C2—H2B | 0.9800 | C15—C17 | 1.418 (3) |
C2—H2C | 0.9800 | C15—C16 | 1.505 (3) |
C3—C5 | 1.418 (3) | C15—Sc1 | 2.5107 (18) |
C3—C4 | 1.507 (3) | C16—H16A | 0.9800 |
C3—Sc1 | 2.4784 (17) | C16—H16B | 0.9800 |
C4—H4A | 0.9800 | C16—H16C | 0.9800 |
C4—H4B | 0.9800 | C17—C19 | 1.419 (3) |
C4—H4C | 0.9800 | C17—C18 | 1.511 (2) |
C5—C7 | 1.415 (3) | C17—Sc1 | 2.5025 (17) |
C5—C6 | 1.504 (3) | C18—H18A | 0.9800 |
C5—Sc1 | 2.5021 (18) | C18—H18B | 0.9800 |
C6—H6A | 0.9800 | C18—H18C | 0.9800 |
C6—H6B | 0.9800 | C19—C20 | 1.506 (3) |
C6—H6C | 0.9800 | C19—Sc1 | 2.4982 (17) |
C7—C9 | 1.415 (3) | C20—H20A | 0.9800 |
C7—C8 | 1.511 (3) | C20—H20B | 0.9800 |
C7—Sc1 | 2.5294 (18) | C20—H20C | 0.9800 |
C8—H8A | 0.9800 | C21—Si1 | 1.8531 (19) |
C8—H8B | 0.9800 | C21—Sc1 | 2.2780 (18) |
C8—H8C | 0.9800 | C21—H21A | 0.9900 |
C9—C10 | 1.509 (3) | C21—H21B | 0.9900 |
C9—Sc1 | 2.4903 (18) | C22—Si1 | 1.882 (2) |
C10—H10A | 0.9800 | C22—H22A | 0.9800 |
C10—H10B | 0.9800 | C22—H22B | 0.9800 |
C10—H10C | 0.9800 | C22—H22C | 0.9800 |
C11—C19 | 1.417 (3) | C23—Si1 | 1.893 (2) |
C11—C13 | 1.419 (3) | C23—H23A | 0.9800 |
C11—C12 | 1.498 (3) | C23—H23B | 0.9800 |
C11—Sc1 | 2.5077 (17) | C23—H23C | 0.9800 |
C12—H12A | 0.9800 | C24—Si1 | 1.882 (2) |
C12—H12B | 0.9800 | C24—H24A | 0.9800 |
C12—H12C | 0.9800 | C24—H24B | 0.9800 |
C13—C15 | 1.422 (3) | C24—H24C | 0.9800 |
C3—C1—C9 | 107.67 (17) | C17—C18—H18B | 109.5 |
C3—C1—C2 | 126.32 (18) | H18A—C18—H18B | 109.5 |
C9—C1—C2 | 125.49 (18) | C17—C18—H18C | 109.5 |
C3—C1—Sc1 | 72.63 (10) | H18A—C18—H18C | 109.5 |
C9—C1—Sc1 | 73.01 (10) | H18B—C18—H18C | 109.5 |
C2—C1—Sc1 | 126.40 (12) | C11—C19—C17 | 108.32 (16) |
C1—C2—H2A | 109.5 | C11—C19—C20 | 126.53 (17) |
C1—C2—H2B | 109.5 | C17—C19—C20 | 124.80 (17) |
H2A—C2—H2B | 109.5 | C11—C19—Sc1 | 73.93 (10) |
C1—C2—H2C | 109.5 | C17—C19—Sc1 | 73.69 (10) |
H2A—C2—H2C | 109.5 | C20—C19—Sc1 | 123.74 (12) |
H2B—C2—H2C | 109.5 | C19—C20—H20A | 109.5 |
C1—C3—C5 | 108.37 (16) | C19—C20—H20B | 109.5 |
C1—C3—C4 | 126.89 (19) | H20A—C20—H20B | 109.5 |
C5—C3—C4 | 124.68 (18) | C19—C20—H20C | 109.5 |
C1—C3—Sc1 | 74.45 (10) | H20A—C20—H20C | 109.5 |
C5—C3—Sc1 | 74.38 (10) | H20B—C20—H20C | 109.5 |
C4—C3—Sc1 | 119.46 (12) | Si1—C21—Sc1 | 129.86 (10) |
C3—C4—H4A | 109.5 | Si1—C21—H21A | 104.8 |
C3—C4—H4B | 109.5 | Sc1—C21—H21A | 104.8 |
H4A—C4—H4B | 109.5 | Si1—C21—H21B | 104.8 |
C3—C4—H4C | 109.5 | Sc1—C21—H21B | 104.8 |
H4A—C4—H4C | 109.5 | H21A—C21—H21B | 105.8 |
H4B—C4—H4C | 109.5 | Si1—C22—H22A | 109.5 |
C7—C5—C3 | 107.81 (17) | Si1—C22—H22B | 109.5 |
C7—C5—C6 | 127.84 (18) | H22A—C22—H22B | 109.5 |
C3—C5—C6 | 123.86 (18) | Si1—C22—H22C | 109.5 |
C7—C5—Sc1 | 74.73 (10) | H22A—C22—H22C | 109.5 |
C3—C5—Sc1 | 72.55 (10) | H22B—C22—H22C | 109.5 |
C6—C5—Sc1 | 124.65 (13) | Si1—C23—H23A | 109.5 |
C5—C6—H6A | 109.5 | Si1—C23—H23B | 109.5 |
C5—C6—H6B | 109.5 | H23A—C23—H23B | 109.5 |
H6A—C6—H6B | 109.5 | Si1—C23—H23C | 109.5 |
C5—C6—H6C | 109.5 | H23A—C23—H23C | 109.5 |
H6A—C6—H6C | 109.5 | H23B—C23—H23C | 109.5 |
H6B—C6—H6C | 109.5 | Si1—C24—H24A | 109.5 |
C5—C7—C9 | 108.03 (17) | Si1—C24—H24B | 109.5 |
C5—C7—C8 | 126.35 (18) | H24A—C24—H24B | 109.5 |
C9—C7—C8 | 124.21 (18) | Si1—C24—H24C | 109.5 |
C5—C7—Sc1 | 72.61 (10) | H24A—C24—H24C | 109.5 |
C9—C7—Sc1 | 72.11 (10) | H24B—C24—H24C | 109.5 |
C8—C7—Sc1 | 131.59 (13) | C21—Si1—C24 | 113.58 (9) |
C7—C8—H8A | 109.5 | C21—Si1—C22 | 112.15 (9) |
C7—C8—H8B | 109.5 | C24—Si1—C22 | 103.90 (10) |
H8A—C8—H8B | 109.5 | C21—Si1—C23 | 113.50 (9) |
C7—C8—H8C | 109.5 | C24—Si1—C23 | 106.13 (10) |
H8A—C8—H8C | 109.5 | C22—Si1—C23 | 106.84 (10) |
H8B—C8—H8C | 109.5 | C21—Sc1—C13 | 104.18 (6) |
C7—C9—C1 | 108.02 (17) | C21—Sc1—C3 | 88.59 (6) |
C7—C9—C10 | 125.36 (18) | C13—Sc1—C3 | 122.95 (6) |
C1—C9—C10 | 126.43 (18) | C21—Sc1—C9 | 109.74 (7) |
C7—C9—Sc1 | 75.16 (10) | C13—Sc1—C9 | 145.76 (6) |
C1—C9—Sc1 | 73.90 (10) | C3—Sc1—C9 | 54.81 (6) |
C10—C9—Sc1 | 120.99 (12) | C21—Sc1—C19 | 95.35 (6) |
C9—C10—H10A | 109.5 | C13—Sc1—C19 | 54.84 (6) |
C9—C10—H10B | 109.5 | C3—Sc1—C19 | 175.86 (6) |
H10A—C10—H10B | 109.5 | C9—Sc1—C19 | 124.51 (6) |
C9—C10—H10C | 109.5 | C21—Sc1—C1 | 82.53 (6) |
H10A—C10—H10C | 109.5 | C13—Sc1—C1 | 155.68 (6) |
H10B—C10—H10C | 109.5 | C3—Sc1—C1 | 32.91 (6) |
C19—C11—C13 | 107.68 (16) | C9—Sc1—C1 | 33.09 (6) |
C19—C11—C12 | 126.24 (17) | C19—Sc1—C1 | 148.91 (6) |
C13—C11—C12 | 125.46 (17) | C21—Sc1—C5 | 120.72 (6) |
C19—C11—Sc1 | 73.19 (10) | C13—Sc1—C5 | 103.49 (6) |
C13—C11—Sc1 | 72.10 (9) | C3—Sc1—C5 | 33.07 (6) |
C12—C11—Sc1 | 127.34 (12) | C9—Sc1—C5 | 54.60 (6) |
C11—C12—H12A | 109.5 | C19—Sc1—C5 | 142.81 (6) |
C11—C12—H12B | 109.5 | C1—Sc1—C5 | 54.57 (6) |
H12A—C12—H12B | 109.5 | C21—Sc1—C17 | 128.30 (6) |
C11—C12—H12C | 109.5 | C13—Sc1—C17 | 54.91 (6) |
H12A—C12—H12C | 109.5 | C3—Sc1—C17 | 143.10 (6) |
H12B—C12—H12C | 109.5 | C9—Sc1—C17 | 104.49 (6) |
C11—C13—C15 | 108.22 (16) | C19—Sc1—C17 | 32.97 (6) |
C11—C13—C14 | 125.13 (17) | C1—Sc1—C17 | 137.53 (6) |
C15—C13—C14 | 126.61 (17) | C5—Sc1—C17 | 110.54 (6) |
C11—C13—Sc1 | 74.81 (10) | C21—Sc1—C11 | 82.13 (6) |
C15—C13—Sc1 | 74.90 (10) | C13—Sc1—C11 | 33.09 (6) |
C14—C13—Sc1 | 118.04 (11) | C3—Sc1—C11 | 147.32 (6) |
C13—C14—H14A | 109.5 | C9—Sc1—C11 | 157.14 (6) |
C13—C14—H14B | 109.5 | C19—Sc1—C11 | 32.88 (6) |
H14A—C14—H14B | 109.5 | C1—Sc1—C11 | 164.63 (6) |
C13—C14—H14C | 109.5 | C5—Sc1—C11 | 136.51 (6) |
H14A—C14—H14C | 109.5 | C17—Sc1—C11 | 54.62 (6) |
H14B—C14—H14C | 109.5 | C21—Sc1—C15 | 135.59 (6) |
C17—C15—C13 | 107.74 (16) | C13—Sc1—C15 | 33.15 (6) |
C17—C15—C16 | 125.95 (17) | C3—Sc1—C15 | 121.53 (6) |
C13—C15—C16 | 125.27 (17) | C9—Sc1—C15 | 114.28 (6) |
C17—C15—Sc1 | 73.25 (10) | C19—Sc1—C15 | 54.53 (6) |
C13—C15—Sc1 | 71.96 (10) | C1—Sc1—C15 | 140.65 (6) |
C16—C15—Sc1 | 129.55 (12) | C5—Sc1—C15 | 90.32 (6) |
C15—C16—H16A | 109.5 | C17—Sc1—C15 | 32.86 (6) |
C15—C16—H16B | 109.5 | C11—Sc1—C15 | 54.59 (6) |
H16A—C16—H16B | 109.5 | C21—Sc1—C7 | 136.71 (6) |
C15—C16—H16C | 109.5 | C13—Sc1—C7 | 114.32 (6) |
H16A—C16—H16C | 109.5 | C3—Sc1—C7 | 54.38 (6) |
H16B—C16—H16C | 109.5 | C9—Sc1—C7 | 32.73 (6) |
C15—C17—C19 | 107.95 (16) | C19—Sc1—C7 | 122.47 (6) |
C15—C17—C18 | 126.94 (18) | C1—Sc1—C7 | 54.28 (6) |
C19—C17—C18 | 124.28 (17) | C5—Sc1—C7 | 32.66 (6) |
C15—C17—Sc1 | 73.88 (10) | C17—Sc1—C7 | 91.16 (6) |
C19—C17—Sc1 | 73.35 (10) | C11—Sc1—C7 | 141.09 (6) |
C18—C17—Sc1 | 126.74 (12) | C15—Sc1—C7 | 86.77 (6) |
C17—C18—H18A | 109.5 | ||
C9—C1—C3—C5 | 2.14 (19) | C17—C19—Sc1—C9 | 59.87 (13) |
C2—C1—C3—C5 | −169.95 (17) | C20—C19—Sc1—C9 | −61.43 (17) |
Sc1—C1—C3—C5 | 67.24 (12) | C11—C19—Sc1—C1 | −150.94 (12) |
C9—C1—C3—C4 | 179.46 (17) | C17—C19—Sc1—C1 | 93.90 (15) |
C2—C1—C3—C4 | 7.4 (3) | C20—C19—Sc1—C1 | −27.4 (2) |
Sc1—C1—C3—C4 | −115.44 (18) | C11—C19—Sc1—C5 | 99.91 (13) |
C9—C1—C3—Sc1 | −65.10 (12) | C17—C19—Sc1—C5 | −15.24 (16) |
C2—C1—C3—Sc1 | 122.80 (18) | C20—C19—Sc1—C5 | −136.55 (15) |
C1—C3—C5—C7 | −0.3 (2) | C11—C19—Sc1—C17 | 115.16 (15) |
C4—C3—C5—C7 | −177.69 (16) | C20—C19—Sc1—C17 | −121.3 (2) |
Sc1—C3—C5—C7 | 66.99 (12) | C17—C19—Sc1—C11 | −115.16 (15) |
C1—C3—C5—C6 | 172.26 (17) | C20—C19—Sc1—C11 | 123.5 (2) |
C4—C3—C5—C6 | −5.1 (3) | C11—C19—Sc1—C15 | 77.98 (11) |
Sc1—C3—C5—C6 | −120.45 (17) | C17—C19—Sc1—C15 | −37.18 (10) |
C1—C3—C5—Sc1 | −67.29 (12) | C20—C19—Sc1—C15 | −158.48 (18) |
C4—C3—C5—Sc1 | 115.32 (17) | C11—C19—Sc1—C7 | 135.61 (11) |
C3—C5—C7—C9 | −1.7 (2) | C17—C19—Sc1—C7 | 20.45 (13) |
C6—C5—C7—C9 | −173.84 (17) | C20—C19—Sc1—C7 | −100.85 (16) |
Sc1—C5—C7—C9 | 63.87 (12) | C3—C1—Sc1—C21 | 99.04 (12) |
C3—C5—C7—C8 | 165.18 (17) | C9—C1—Sc1—C21 | −145.62 (12) |
C6—C5—C7—C8 | −7.0 (3) | C2—C1—Sc1—C21 | −23.68 (17) |
Sc1—C5—C7—C8 | −129.29 (18) | C3—C1—Sc1—C13 | −9.0 (2) |
C3—C5—C7—Sc1 | −65.53 (12) | C9—C1—Sc1—C13 | 106.34 (17) |
C6—C5—C7—Sc1 | 122.30 (19) | C2—C1—Sc1—C13 | −131.72 (18) |
C5—C7—C9—C1 | 3.0 (2) | C9—C1—Sc1—C3 | 115.35 (16) |
C8—C7—C9—C1 | −164.21 (17) | C2—C1—Sc1—C3 | −122.7 (2) |
Sc1—C7—C9—C1 | 67.18 (12) | C3—C1—Sc1—C9 | −115.35 (16) |
C5—C7—C9—C10 | 178.10 (17) | C2—C1—Sc1—C9 | 121.9 (2) |
C8—C7—C9—C10 | 10.9 (3) | C3—C1—Sc1—C19 | −172.98 (12) |
Sc1—C7—C9—C10 | −117.72 (18) | C9—C1—Sc1—C19 | −57.63 (17) |
C5—C7—C9—Sc1 | −64.19 (12) | C2—C1—Sc1—C19 | 64.3 (2) |
C8—C7—C9—Sc1 | 128.61 (18) | C3—C1—Sc1—C5 | −37.48 (11) |
C3—C1—C9—C7 | −3.2 (2) | C9—C1—Sc1—C5 | 77.87 (12) |
C2—C1—C9—C7 | 169.01 (17) | C2—C1—Sc1—C5 | −160.2 (2) |
Sc1—C1—C9—C7 | −68.02 (12) | C3—C1—Sc1—C17 | −119.47 (12) |
C3—C1—C9—C10 | −178.21 (17) | C9—C1—Sc1—C17 | −4.12 (16) |
C2—C1—C9—C10 | −6.0 (3) | C2—C1—Sc1—C17 | 117.82 (17) |
Sc1—C1—C9—C10 | 116.94 (18) | C3—C1—Sc1—C11 | 102.9 (2) |
C3—C1—C9—Sc1 | 64.85 (12) | C9—C1—Sc1—C11 | −141.7 (2) |
C2—C1—C9—Sc1 | −122.97 (18) | C2—C1—Sc1—C11 | −19.8 (3) |
C19—C11—C13—C15 | −3.02 (19) | C3—C1—Sc1—C15 | −68.49 (15) |
C12—C11—C13—C15 | 168.40 (16) | C9—C1—Sc1—C15 | 46.85 (15) |
Sc1—C11—C13—C15 | −68.06 (12) | C2—C1—Sc1—C15 | 168.79 (15) |
C19—C11—C13—C14 | 178.92 (16) | C3—C1—Sc1—C7 | −77.93 (12) |
C12—C11—C13—C14 | −9.7 (3) | C9—C1—Sc1—C7 | 37.42 (11) |
Sc1—C11—C13—C14 | 113.87 (17) | C2—C1—Sc1—C7 | 159.4 (2) |
C19—C11—C13—Sc1 | 65.04 (12) | C7—C5—Sc1—C21 | −129.95 (11) |
C12—C11—C13—Sc1 | −123.54 (17) | C3—C5—Sc1—C21 | −15.23 (13) |
C11—C13—C15—C17 | 2.99 (19) | C6—C5—Sc1—C21 | 104.29 (17) |
C14—C13—C15—C17 | −178.98 (16) | C7—C5—Sc1—C13 | 114.23 (11) |
Sc1—C13—C15—C17 | −65.01 (12) | C3—C5—Sc1—C13 | −131.05 (11) |
C11—C13—C15—C16 | −165.85 (16) | C6—C5—Sc1—C13 | −11.53 (18) |
C14—C13—C15—C16 | 12.2 (3) | C7—C5—Sc1—C3 | −114.72 (16) |
Sc1—C13—C15—C16 | 126.15 (17) | C6—C5—Sc1—C3 | 119.5 (2) |
C11—C13—C15—Sc1 | 68.01 (12) | C7—C5—Sc1—C9 | −36.51 (11) |
C14—C13—C15—Sc1 | −113.96 (17) | C3—C5—Sc1—C9 | 78.21 (12) |
C13—C15—C17—C19 | −1.81 (19) | C6—C5—Sc1—C9 | −162.28 (19) |
C16—C15—C17—C19 | 166.93 (17) | C7—C5—Sc1—C19 | 65.80 (15) |
Sc1—C15—C17—C19 | −65.97 (12) | C3—C5—Sc1—C19 | −179.48 (11) |
C13—C15—C17—C18 | −171.66 (17) | C6—C5—Sc1—C19 | −60.0 (2) |
C16—C15—C17—C18 | −2.9 (3) | C7—C5—Sc1—C1 | −77.42 (12) |
Sc1—C15—C17—C18 | 124.18 (18) | C3—C5—Sc1—C1 | 37.30 (10) |
C13—C15—C17—Sc1 | 64.16 (12) | C6—C5—Sc1—C1 | 156.8 (2) |
C16—C15—C17—Sc1 | −127.10 (18) | C7—C5—Sc1—C17 | 57.01 (12) |
C13—C11—C19—C17 | 1.89 (19) | C3—C5—Sc1—C17 | 171.73 (10) |
C12—C11—C19—C17 | −169.44 (16) | C6—C5—Sc1—C17 | −68.75 (18) |
Sc1—C11—C19—C17 | 66.21 (12) | C7—C5—Sc1—C11 | 116.79 (12) |
C13—C11—C19—C20 | 175.28 (17) | C3—C5—Sc1—C11 | −128.49 (11) |
C12—C11—C19—C20 | 3.9 (3) | C6—C5—Sc1—C11 | −9.0 (2) |
Sc1—C11—C19—C20 | −120.40 (18) | C7—C5—Sc1—C15 | 83.51 (11) |
C13—C11—C19—Sc1 | −64.32 (12) | C3—C5—Sc1—C15 | −161.77 (11) |
C12—C11—C19—Sc1 | 124.34 (17) | C6—C5—Sc1—C15 | −42.25 (17) |
C15—C17—C19—C11 | −0.05 (19) | C3—C5—Sc1—C7 | 114.72 (16) |
C18—C17—C19—C11 | 170.13 (16) | C6—C5—Sc1—C7 | −125.8 (2) |
Sc1—C17—C19—C11 | −66.38 (12) | C15—C17—Sc1—C21 | −117.06 (12) |
C15—C17—C19—C20 | −173.58 (16) | C19—C17—Sc1—C21 | −2.15 (14) |
C18—C17—C19—C20 | −3.4 (3) | C18—C17—Sc1—C21 | 118.54 (17) |
Sc1—C17—C19—C20 | 120.09 (17) | C15—C17—Sc1—C13 | −37.05 (10) |
C15—C17—C19—Sc1 | 66.33 (12) | C19—C17—Sc1—C13 | 77.87 (11) |
C18—C17—C19—Sc1 | −123.49 (18) | C18—C17—Sc1—C13 | −161.45 (19) |
Sc1—C21—Si1—C24 | 104.00 (13) | C15—C17—Sc1—C3 | 62.82 (15) |
Sc1—C21—Si1—C22 | −138.57 (12) | C19—C17—Sc1—C3 | 177.73 (11) |
Sc1—C21—Si1—C23 | −17.37 (15) | C18—C17—Sc1—C3 | −61.6 (2) |
Si1—C21—Sc1—C13 | −118.04 (11) | C15—C17—Sc1—C9 | 112.49 (11) |
Si1—C21—Sc1—C3 | 118.25 (12) | C19—C17—Sc1—C9 | −132.60 (11) |
Si1—C21—Sc1—C9 | 66.66 (13) | C18—C17—Sc1—C9 | −11.91 (18) |
Si1—C21—Sc1—C19 | −62.99 (12) | C15—C17—Sc1—C19 | −114.92 (15) |
Si1—C21—Sc1—C1 | 85.79 (12) | C18—C17—Sc1—C19 | 120.7 (2) |
Si1—C21—Sc1—C5 | 126.49 (11) | C15—C17—Sc1—C1 | 114.81 (12) |
Si1—C21—Sc1—C17 | −61.82 (14) | C19—C17—Sc1—C1 | −130.27 (11) |
Si1—C21—Sc1—C11 | −93.17 (12) | C18—C17—Sc1—C1 | −9.6 (2) |
Si1—C21—Sc1—C15 | −105.50 (13) | C15—C17—Sc1—C5 | 55.31 (11) |
Si1—C21—Sc1—C7 | 89.38 (14) | C19—C17—Sc1—C5 | 170.23 (10) |
C11—C13—Sc1—C21 | 49.73 (11) | C18—C17—Sc1—C5 | −69.09 (18) |
C15—C13—Sc1—C21 | 163.86 (11) | C15—C17—Sc1—C11 | −77.86 (11) |
C14—C13—Sc1—C21 | −72.35 (15) | C19—C17—Sc1—C11 | 37.06 (10) |
C11—C13—Sc1—C3 | 147.41 (10) | C18—C17—Sc1—C11 | 157.74 (19) |
C15—C13—Sc1—C3 | −98.46 (11) | C19—C17—Sc1—C15 | 114.92 (15) |
C14—C13—Sc1—C3 | 25.34 (16) | C18—C17—Sc1—C15 | −124.4 (2) |
C11—C13—Sc1—C9 | −138.15 (12) | C15—C17—Sc1—C7 | 82.23 (11) |
C15—C13—Sc1—C9 | −24.02 (16) | C19—C17—Sc1—C7 | −162.85 (11) |
C14—C13—Sc1—C9 | 99.77 (16) | C18—C17—Sc1—C7 | −42.17 (17) |
C11—C13—Sc1—C19 | −36.81 (10) | C19—C11—Sc1—C21 | 112.79 (11) |
C15—C13—Sc1—C19 | 77.32 (11) | C13—C11—Sc1—C21 | −131.69 (11) |
C14—C13—Sc1—C19 | −158.89 (16) | C12—C11—Sc1—C21 | −10.33 (16) |
C11—C13—Sc1—C1 | 153.23 (14) | C19—C11—Sc1—C13 | −115.53 (15) |
C15—C13—Sc1—C1 | −92.64 (17) | C12—C11—Sc1—C13 | 121.4 (2) |
C14—C13—Sc1—C1 | 31.2 (2) | C19—C11—Sc1—C3 | −172.36 (12) |
C11—C13—Sc1—C5 | 176.78 (10) | C13—C11—Sc1—C3 | −56.83 (16) |
C15—C13—Sc1—C5 | −69.09 (11) | C12—C11—Sc1—C3 | 64.5 (2) |
C14—C13—Sc1—C5 | 54.70 (15) | C19—C11—Sc1—C9 | −10.6 (2) |
C11—C13—Sc1—C17 | −77.41 (11) | C13—C11—Sc1—C9 | 104.95 (18) |
C15—C13—Sc1—C17 | 36.72 (10) | C12—C11—Sc1—C9 | −133.70 (18) |
C14—C13—Sc1—C17 | 160.51 (17) | C13—C11—Sc1—C19 | 115.53 (15) |
C15—C13—Sc1—C11 | 114.13 (15) | C12—C11—Sc1—C19 | −123.1 (2) |
C14—C13—Sc1—C11 | −122.08 (19) | C19—C11—Sc1—C1 | 108.9 (2) |
C11—C13—Sc1—C15 | −114.13 (15) | C13—C11—Sc1—C1 | −135.6 (2) |
C14—C13—Sc1—C15 | 123.79 (19) | C12—C11—Sc1—C1 | −14.2 (3) |
C11—C13—Sc1—C7 | −150.54 (10) | C19—C11—Sc1—C5 | −120.09 (12) |
C15—C13—Sc1—C7 | −36.41 (12) | C13—C11—Sc1—C5 | −4.56 (15) |
C14—C13—Sc1—C7 | 87.38 (15) | C12—C11—Sc1—C5 | 116.80 (16) |
C1—C3—Sc1—C21 | −78.38 (12) | C19—C11—Sc1—C17 | −37.17 (10) |
C5—C3—Sc1—C21 | 166.95 (11) | C13—C11—Sc1—C17 | 78.36 (11) |
C4—C3—Sc1—C21 | 45.57 (16) | C12—C11—Sc1—C17 | −160.28 (18) |
C1—C3—Sc1—C13 | 175.59 (10) | C19—C11—Sc1—C15 | −77.78 (11) |
C5—C3—Sc1—C13 | 60.92 (13) | C13—C11—Sc1—C15 | 37.75 (10) |
C4—C3—Sc1—C13 | −60.46 (18) | C12—C11—Sc1—C15 | 159.11 (18) |
C1—C3—Sc1—C9 | 37.14 (11) | C19—C11—Sc1—C7 | −69.99 (14) |
C5—C3—Sc1—C9 | −77.53 (12) | C13—C11—Sc1—C7 | 45.53 (15) |
C4—C3—Sc1—C9 | 161.09 (19) | C12—C11—Sc1—C7 | 166.89 (14) |
C1—C3—Sc1—C19 | 119.1 (8) | C17—C15—Sc1—C21 | 92.99 (13) |
C5—C3—Sc1—C19 | 4.4 (9) | C13—C15—Sc1—C21 | −22.65 (15) |
C4—C3—Sc1—C19 | −117.0 (8) | C16—C15—Sc1—C21 | −143.88 (16) |
C5—C3—Sc1—C1 | −114.67 (16) | C17—C15—Sc1—C13 | 115.64 (15) |
C4—C3—Sc1—C1 | 123.9 (2) | C16—C15—Sc1—C13 | −121.2 (2) |
C1—C3—Sc1—C5 | 114.67 (16) | C17—C15—Sc1—C3 | −141.20 (10) |
C4—C3—Sc1—C5 | −121.4 (2) | C13—C15—Sc1—C3 | 103.16 (11) |
C1—C3—Sc1—C17 | 101.72 (14) | C16—C15—Sc1—C3 | −18.07 (19) |
C5—C3—Sc1—C17 | −12.96 (16) | C17—C15—Sc1—C9 | −78.91 (11) |
C4—C3—Sc1—C17 | −134.34 (15) | C13—C15—Sc1—C9 | 165.45 (10) |
C1—C3—Sc1—C11 | −151.41 (12) | C16—C15—Sc1—C9 | 44.21 (19) |
C5—C3—Sc1—C11 | 93.92 (15) | C17—C15—Sc1—C19 | 37.30 (10) |
C4—C3—Sc1—C11 | −27.5 (2) | C13—C15—Sc1—C19 | −78.33 (11) |
C1—C3—Sc1—C15 | 136.21 (11) | C16—C15—Sc1—C19 | 160.4 (2) |
C5—C3—Sc1—C15 | 21.53 (13) | C17—C15—Sc1—C1 | −104.83 (13) |
C4—C3—Sc1—C15 | −99.84 (16) | C13—C15—Sc1—C1 | 139.54 (11) |
C1—C3—Sc1—C7 | 77.59 (12) | C16—C15—Sc1—C1 | 18.3 (2) |
C5—C3—Sc1—C7 | −37.09 (11) | C17—C15—Sc1—C5 | −129.65 (11) |
C4—C3—Sc1—C7 | −158.47 (19) | C13—C15—Sc1—C5 | 114.72 (11) |
C7—C9—Sc1—C21 | 150.68 (11) | C16—C15—Sc1—C5 | −6.52 (17) |
C1—C9—Sc1—C21 | 36.51 (13) | C13—C15—Sc1—C17 | −115.64 (15) |
C10—C9—Sc1—C21 | −86.69 (17) | C16—C15—Sc1—C17 | 123.1 (2) |
C7—C9—Sc1—C13 | −21.20 (17) | C17—C15—Sc1—C11 | 77.95 (11) |
C1—C9—Sc1—C13 | −135.37 (12) | C13—C15—Sc1—C11 | −37.68 (10) |
C10—C9—Sc1—C13 | 101.43 (18) | C16—C15—Sc1—C11 | −158.9 (2) |
C7—C9—Sc1—C3 | 77.24 (12) | C17—C15—Sc1—C7 | −97.16 (11) |
C1—C9—Sc1—C3 | −36.93 (11) | C13—C15—Sc1—C7 | 147.20 (11) |
C10—C9—Sc1—C3 | −160.13 (19) | C16—C15—Sc1—C7 | 25.96 (17) |
C7—C9—Sc1—C19 | −97.78 (12) | C5—C7—Sc1—C21 | 74.00 (14) |
C1—C9—Sc1—C19 | 148.04 (11) | C9—C7—Sc1—C21 | −42.23 (15) |
C10—C9—Sc1—C19 | 24.84 (19) | C8—C7—Sc1—C21 | −162.46 (17) |
C7—C9—Sc1—C1 | 114.18 (16) | C5—C7—Sc1—C13 | −76.67 (12) |
C10—C9—Sc1—C1 | −123.2 (2) | C9—C7—Sc1—C13 | 167.10 (11) |
C7—C9—Sc1—C5 | 36.43 (11) | C8—C7—Sc1—C13 | 46.9 (2) |
C1—C9—Sc1—C5 | −77.74 (12) | C5—C7—Sc1—C3 | 37.57 (11) |
C10—C9—Sc1—C5 | 159.06 (19) | C9—C7—Sc1—C3 | −78.66 (12) |
C7—C9—Sc1—C17 | −68.70 (12) | C8—C7—Sc1—C3 | 161.1 (2) |
C1—C9—Sc1—C17 | 177.13 (11) | C5—C7—Sc1—C9 | 116.23 (16) |
C10—C9—Sc1—C17 | 53.93 (17) | C8—C7—Sc1—C9 | −120.2 (2) |
C7—C9—Sc1—C11 | −90.84 (18) | C5—C7—Sc1—C19 | −139.18 (11) |
C1—C9—Sc1—C11 | 154.99 (15) | C9—C7—Sc1—C19 | 104.59 (12) |
C10—C9—Sc1—C11 | 31.8 (3) | C8—C7—Sc1—C19 | −15.6 (2) |
C7—C9—Sc1—C15 | −35.33 (13) | C5—C7—Sc1—C1 | 78.38 (12) |
C1—C9—Sc1—C15 | −149.50 (11) | C9—C7—Sc1—C1 | −37.84 (11) |
C10—C9—Sc1—C15 | 87.30 (16) | C8—C7—Sc1—C1 | −158.1 (2) |
C1—C9—Sc1—C7 | −114.18 (16) | C9—C7—Sc1—C5 | −116.23 (16) |
C10—C9—Sc1—C7 | 122.6 (2) | C8—C7—Sc1—C5 | 123.5 (2) |
C11—C19—Sc1—C21 | −66.53 (11) | C5—C7—Sc1—C17 | −128.22 (11) |
C17—C19—Sc1—C21 | 178.31 (11) | C9—C7—Sc1—C17 | 115.55 (11) |
C20—C19—Sc1—C21 | 57.01 (16) | C8—C7—Sc1—C17 | −4.7 (2) |
C11—C19—Sc1—C13 | 37.06 (10) | C5—C7—Sc1—C11 | −101.98 (13) |
C17—C19—Sc1—C13 | −78.10 (11) | C9—C7—Sc1—C11 | 141.79 (12) |
C20—C19—Sc1—C13 | 160.60 (18) | C8—C7—Sc1—C11 | 21.6 (2) |
C11—C19—Sc1—C3 | 96.0 (8) | C5—C7—Sc1—C15 | −95.64 (11) |
C17—C19—Sc1—C3 | −19.2 (9) | C9—C7—Sc1—C15 | 148.13 (12) |
C20—C19—Sc1—C3 | −140.5 (8) | C8—C7—Sc1—C15 | 27.90 (19) |
C11—C19—Sc1—C9 | 175.03 (10) |