The title compound, [Ti
2Cl(C
6H
9)(C
12H
14Si)
2], displays an asymmetric μ
2-η
2 C
C bridge between the two metal ions. The C—C
C bond angle deviates markedly from linearity. The difference in the Ti—Cl bond lengths involving the bridging Cl is 0.146 (3) Å. The angles between the least-squares planes through the ring systems of the titanocene units are 55.4 (4) and 57.8 (4)°.
Supporting information
CCDC reference: 277721
Key indicators
- Single-crystal X-ray study
- T = 298 K
- Mean (C-C) = 0.009 Å
- Disorder in main residue
- R factor = 0.070
- wR factor = 0.183
- Data-to-parameter ratio = 16.1
checkCIF/PLATON results
No syntax errors found
Alert level A
ABSTM02_ALERT_3_A Test not performed as the _exptl_absorpt_correction_type
has not been identified. See test ABSTY_01.
ABSTY01_ALERT_1_A The absorption correction should be one of the following
* none
* analytical
* integration
* numerical
* gaussian
* empirical
* psi-scan
* multi-scan
* refdelf
* sphere
* cylinder
Alert level B
PLAT242_ALERT_2_B Check Low Ueq as Compared to Neighbors for C15
PLAT366_ALERT_2_B Short? C(sp?)-C(sp?) Bond C13 - C14 ... 1.23 Ang.
Alert level C
ABSTY02_ALERT_1_C An _exptl_absorpt_correction_type has been given without
a literature citation. This should be contained in the
_exptl_absorpt_process_details field.
Absorption correction given as Not Given
PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.94 Ratio
PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for Cl1
PLAT301_ALERT_3_C Main Residue Disorder ......................... 8.00 Perc.
PLAT320_ALERT_2_C Check Hybridisation of C13 in Main Residue . ?
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 9
2 ALERT level A = In general: serious problem
2 ALERT level B = Potentially serious problem
6 ALERT level C = Check and explain
0 ALERT level G = General alerts; check
2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
5 ALERT type 2 Indicator that the structure model may be wrong or deficient
3 ALERT type 3 Indicator that the structure quality may be low
0 ALERT type 4 Improvement, methodology, query or suggestion
Data collection: locally modified CAD-4 Software (Enraf–Nonius, 1989); cell refinement: SET4 (de Boer & Duisenberg, 1984); data reduction: HELENA (Spek, 1997); program(s) used to solve structure: SHELXS86 (Sheldrick, 1986); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: PLATON (Spek, 2003); software used to prepare material for publication: PLATON.
(µ
2-chloro)(µ
2-
η2-2-
tert-butyl-ethyn-1-yl)-
bis[bis(
η5-cyclopentadienyl)dimethylsilane]dititanium(II)
top
Crystal data top
[Ti2Cl(C6H9)(C12H14Si)2] | Z = 2 |
Mr = 584.97 | F(000) = 612 |
Triclinic, P1 | Least Squares Treatment of 25 SET4 setting angles. |
Hall symbol: -P 1 | Dx = 1.337 Mg m−3 |
a = 9.381 (4) Å | Mo Kα radiation, λ = 0.71073 Å |
b = 11.552 (3) Å | Cell parameters from 25 reflections |
c = 14.120 (4) Å | θ = 9.9–14.0° |
α = 80.18 (2)° | µ = 0.74 mm−1 |
β = 83.89 (3)° | T = 298 K |
γ = 74.93 (3)° | Block, black |
V = 1452.8 (9) Å3 | 0.3 × 0.3 × 0.2 mm |
Data collection top
Enraf-Nonius CAD4 Turbo diffractometer | Rint = 0.081 |
Radiation source: Rotating anode | θmax = 25.3°, θmin = 1.5° |
Graphite monochromator | h = −11→11 |
ω/2θ scans with Δω=1.35+0.35 tan θ deg | k = −13→13 |
6538 measured reflections | l = −16→16 |
5250 independent reflections | 3 standard reflections every 60 min |
3134 reflections with I > 2σ(I) | intensity decay: 1% |
Refinement top
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)] = 0.070 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.183 | H-atom parameters constrained |
S = 1.17 | w = 1/[σ2(Fo2) + (0.075P)2 + 1.P] where P = (Fo2 + 2Fc2)/3 |
5250 reflections | (Δ/σ)max < 0.001 |
326 parameters | Δρmax = 0.81 e Å−3 |
0 restraints | Δρmin = −0.77 e Å−3 |
Special details top
Geometry. Bond distances, angles etc. have been calculated using the rounded
fractional coordinates. All su'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 on F2 for ALL reflections except those flagged by the user
for potential systematic errors. Weighted R-factors wR and all
goodnesses of fit S are based on F2, conventional
R-factors R are based on F, with F set to zero for
negative F2. The observed criterion of F2 > σ(F2)
is used only for calculating -R-factor-obs 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. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | Occ. (<1) |
Ti1 | 0.19468 (11) | 0.95342 (9) | 0.32188 (7) | 0.0367 (3) | |
Ti2 | 0.08494 (11) | 0.72927 (9) | 0.24673 (7) | 0.0361 (3) | |
Cl1 | 0.00670 (18) | 0.84882 (15) | 0.38838 (12) | 0.0570 (6) | |
Si1 | 0.35069 (19) | 1.16414 (16) | 0.35560 (12) | 0.0434 (5) | |
Si2 | −0.0938 (2) | 0.52214 (16) | 0.23425 (14) | 0.0515 (6) | |
C1 | 0.2973 (7) | 1.2544 (5) | 0.4555 (4) | 0.050 (2) | |
C2 | 0.5061 (8) | 1.2043 (7) | 0.2755 (5) | 0.075 (3) | |
C3 | 0.3850 (6) | 0.9989 (5) | 0.3973 (4) | 0.0434 (17) | |
C4 | 0.2960 (7) | 0.9457 (6) | 0.4712 (4) | 0.048 (2) | |
C5 | 0.3128 (7) | 0.8258 (6) | 0.4629 (5) | 0.053 (2) | |
C6 | 0.4090 (7) | 0.8004 (6) | 0.3813 (5) | 0.052 (2) | |
C7 | 0.4513 (6) | 0.9059 (6) | 0.3408 (5) | 0.049 (2) | |
C8 | 0.1888 (6) | 1.1644 (5) | 0.2911 (4) | 0.0435 (17) | |
C9 | 0.0511 (6) | 1.1529 (5) | 0.3392 (4) | 0.0447 (17) | |
C10 | −0.0282 (7) | 1.1128 (5) | 0.2791 (5) | 0.052 (2) | |
C11 | 0.0597 (8) | 1.0938 (5) | 0.1938 (4) | 0.051 (2) | |
C12 | 0.1912 (7) | 1.1247 (5) | 0.2008 (4) | 0.0469 (19) | |
C13 | 0.2461 (6) | 0.8515 (5) | 0.2124 (4) | 0.0357 (17) | |
C14 | 0.2707 (6) | 0.7858 (5) | 0.1498 (4) | 0.0420 (17) | |
C15 | 0.3737 (7) | 0.7609 (6) | 0.0589 (4) | 0.052 (2) | |
C16A | 0.4128 (18) | 0.8764 (12) | 0.0136 (9) | 0.097 (6) | 0.715 (8) |
C17A | 0.3038 (16) | 0.7129 (16) | −0.0137 (8) | 0.098 (6) | 0.715 (8) |
C18A | 0.5134 (14) | 0.6655 (15) | 0.0904 (9) | 0.105 (5) | 0.715 (8) |
C19 | −0.1231 (6) | 0.6853 (5) | 0.1863 (4) | 0.045 (2) | |
C20 | −0.1786 (7) | 0.7798 (6) | 0.2397 (5) | 0.052 (2) | |
C21 | −0.1363 (7) | 0.8840 (6) | 0.1907 (5) | 0.054 (2) | |
C22 | −0.0528 (7) | 0.8525 (6) | 0.1078 (4) | 0.051 (2) | |
C23 | −0.0415 (7) | 0.7300 (6) | 0.1058 (4) | 0.048 (2) | |
C24 | 0.0766 (7) | 0.5195 (5) | 0.2891 (4) | 0.045 (2) | |
C25 | 0.2147 (7) | 0.5209 (5) | 0.2384 (5) | 0.050 (2) | |
C26 | 0.3002 (7) | 0.5609 (5) | 0.2943 (5) | 0.054 (2) | |
C27 | 0.2187 (8) | 0.5888 (5) | 0.3779 (5) | 0.053 (2) | |
C28 | 0.0799 (8) | 0.5664 (5) | 0.3749 (4) | 0.0501 (19) | |
C29 | −0.2417 (9) | 0.4879 (8) | 0.3266 (7) | 0.091 (3) | |
C30 | −0.0626 (10) | 0.4301 (6) | 0.1354 (6) | 0.082 (3) | |
C17B | 0.521 (4) | 0.785 (4) | 0.074 (2) | 0.098 (6) | 0.285 (8) |
C18B | 0.302 (4) | 0.849 (4) | −0.020 (2) | 0.105 (5) | 0.285 (8) |
C16B | 0.403 (5) | 0.635 (3) | 0.040 (3) | 0.097 (6) | 0.285 (8) |
H1C | 0.20830 | 1.23880 | 0.48920 | 0.0750* | |
H2B | 0.52000 | 1.16420 | 0.21980 | 0.1140* | |
H2C | 0.59490 | 1.17910 | 0.30960 | 0.1140* | |
H2A | 0.48380 | 1.29050 | 0.25560 | 0.1140* | |
H1A | 0.28070 | 1.33900 | 0.43010 | 0.0750* | |
H1B | 0.37520 | 1.23230 | 0.49900 | 0.0750* | |
H7 | 0.51340 | 0.91420 | 0.28550 | 0.0580* | |
H9 | 0.01900 | 1.16960 | 0.40120 | 0.0540* | |
H10 | −0.12280 | 1.10070 | 0.29310 | 0.0620* | |
H11 | 0.03440 | 1.06550 | 0.14160 | 0.0610* | |
H12 | 0.26890 | 1.12020 | 0.15380 | 0.0560* | |
H16A | 0.47710 | 0.86260 | −0.04320 | 0.1450* | 0.715 (8) |
H16B | 0.46220 | 0.90370 | 0.05840 | 0.1450* | 0.715 (8) |
H16C | 0.32430 | 0.93690 | −0.00370 | 0.1450* | 0.715 (8) |
H17A | 0.28060 | 0.63800 | 0.01540 | 0.1470* | 0.715 (8) |
H17B | 0.37190 | 0.69920 | −0.06880 | 0.1470* | 0.715 (8) |
H17C | 0.21490 | 0.77110 | −0.03360 | 0.1470* | 0.715 (8) |
H18A | 0.48780 | 0.59150 | 0.11920 | 0.1580* | 0.715 (8) |
H18B | 0.55890 | 0.69420 | 0.13660 | 0.1580* | 0.715 (8) |
H18C | 0.58130 | 0.65110 | 0.03540 | 0.1580* | 0.715 (8) |
H20 | −0.23440 | 0.77510 | 0.29810 | 0.0630* | |
H21 | −0.16020 | 0.95990 | 0.21040 | 0.0650* | |
H22 | −0.01150 | 0.90410 | 0.06160 | 0.0610* | |
H23 | 0.01130 | 0.68550 | 0.05880 | 0.0570* | |
H25 | 0.24360 | 0.49860 | 0.17760 | 0.0600* | |
H26 | 0.39670 | 0.56770 | 0.27790 | 0.0640* | |
H27 | 0.25030 | 0.61740 | 0.42770 | 0.0630* | |
H28 | 0.00230 | 0.58020 | 0.42160 | 0.0600* | |
H29A | −0.22060 | 0.40220 | 0.34870 | 0.1360* | |
H29B | −0.33570 | 0.51380 | 0.29850 | 0.1360* | |
H29C | −0.24470 | 0.53010 | 0.38010 | 0.1360* | |
H30A | −0.04800 | 0.34600 | 0.16200 | 0.1220* | |
H30B | 0.02360 | 0.44200 | 0.09560 | 0.1220* | |
H30C | −0.14710 | 0.45460 | 0.09720 | 0.1220* | |
H4 | 0.23560 | 0.98600 | 0.51810 | 0.0580* | |
H5 | 0.26850 | 0.77120 | 0.50380 | 0.0630* | |
H6 | 0.43890 | 0.72630 | 0.35850 | 0.0620* | |
H16D | 0.31130 | 0.61820 | 0.02800 | 0.1450* | 0.285 (8) |
H16E | 0.44450 | 0.57990 | 0.09440 | 0.1450* | 0.285 (8) |
H16F | 0.47040 | 0.62410 | −0.01590 | 0.1450* | 0.285 (8) |
H17D | 0.50500 | 0.86680 | 0.08650 | 0.1470* | 0.285 (8) |
H17E | 0.58550 | 0.77500 | 0.01650 | 0.1470* | 0.285 (8) |
H17F | 0.56580 | 0.72960 | 0.12710 | 0.1470* | 0.285 (8) |
H18D | 0.28540 | 0.92950 | −0.00380 | 0.1580* | 0.285 (8) |
H18E | 0.20970 | 0.83350 | −0.02900 | 0.1580* | 0.285 (8) |
H18F | 0.36530 | 0.84260 | −0.07770 | 0.1580* | 0.285 (8) |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Ti1 | 0.0334 (6) | 0.0363 (6) | 0.0312 (5) | 0.0089 (4) | −0.0031 (4) | −0.0064 (4) |
Ti2 | 0.0338 (6) | 0.0332 (6) | 0.0331 (5) | 0.0067 (4) | −0.0051 (4) | −0.0041 (4) |
Cl1 | 0.0542 (10) | 0.0592 (10) | 0.0484 (9) | 0.0019 (8) | 0.0040 (8) | −0.0117 (8) |
Si1 | 0.0397 (9) | 0.0448 (10) | 0.0406 (9) | −0.0010 (8) | −0.0017 (7) | −0.0072 (7) |
Si2 | 0.0496 (11) | 0.0434 (10) | 0.0585 (11) | −0.0072 (8) | −0.0106 (9) | −0.0014 (9) |
C1 | 0.050 (4) | 0.044 (4) | 0.051 (4) | −0.003 (3) | −0.007 (3) | −0.005 (3) |
C2 | 0.065 (5) | 0.086 (6) | 0.066 (5) | −0.013 (4) | 0.016 (4) | −0.007 (4) |
C3 | 0.039 (3) | 0.041 (3) | 0.043 (3) | 0.008 (3) | −0.011 (3) | −0.009 (3) |
C4 | 0.048 (4) | 0.049 (4) | 0.041 (3) | 0.002 (3) | −0.009 (3) | −0.009 (3) |
C5 | 0.058 (4) | 0.044 (4) | 0.050 (4) | 0.000 (3) | −0.021 (3) | −0.001 (3) |
C6 | 0.046 (4) | 0.042 (4) | 0.062 (4) | 0.012 (3) | −0.024 (3) | −0.014 (3) |
C7 | 0.032 (3) | 0.058 (4) | 0.048 (4) | 0.012 (3) | −0.008 (3) | −0.018 (3) |
C8 | 0.042 (3) | 0.037 (3) | 0.044 (3) | 0.005 (3) | −0.005 (3) | −0.007 (3) |
C9 | 0.041 (3) | 0.038 (3) | 0.045 (3) | 0.011 (3) | −0.005 (3) | −0.009 (3) |
C10 | 0.038 (3) | 0.040 (4) | 0.068 (4) | 0.016 (3) | −0.019 (3) | −0.011 (3) |
C11 | 0.066 (5) | 0.037 (3) | 0.045 (4) | 0.005 (3) | −0.025 (3) | −0.004 (3) |
C12 | 0.054 (4) | 0.038 (3) | 0.040 (3) | 0.001 (3) | −0.005 (3) | 0.000 (3) |
C13 | 0.033 (3) | 0.034 (3) | 0.033 (3) | 0.002 (2) | −0.006 (2) | 0.001 (2) |
C14 | 0.040 (3) | 0.042 (3) | 0.033 (3) | 0.005 (3) | 0.004 (2) | −0.003 (3) |
C15 | 0.051 (4) | 0.060 (4) | 0.041 (3) | −0.005 (3) | 0.009 (3) | −0.017 (3) |
C16A | 0.118 (11) | 0.106 (10) | 0.077 (8) | −0.056 (9) | 0.057 (8) | −0.038 (7) |
C17A | 0.096 (9) | 0.157 (13) | 0.056 (7) | −0.053 (9) | 0.039 (7) | −0.054 (8) |
C18A | 0.066 (7) | 0.129 (12) | 0.084 (8) | 0.034 (8) | 0.022 (6) | −0.024 (8) |
C19 | 0.031 (3) | 0.049 (4) | 0.050 (4) | −0.001 (3) | −0.007 (3) | −0.008 (3) |
C20 | 0.036 (3) | 0.056 (4) | 0.058 (4) | 0.004 (3) | −0.008 (3) | −0.010 (3) |
C21 | 0.040 (4) | 0.042 (4) | 0.070 (4) | 0.015 (3) | −0.023 (3) | −0.011 (3) |
C22 | 0.055 (4) | 0.046 (4) | 0.045 (4) | −0.003 (3) | −0.026 (3) | 0.011 (3) |
C23 | 0.052 (4) | 0.047 (4) | 0.036 (3) | 0.005 (3) | −0.011 (3) | −0.004 (3) |
C24 | 0.046 (4) | 0.032 (3) | 0.049 (4) | 0.003 (3) | −0.007 (3) | −0.001 (3) |
C25 | 0.056 (4) | 0.030 (3) | 0.052 (4) | 0.011 (3) | −0.007 (3) | −0.003 (3) |
C26 | 0.038 (3) | 0.036 (3) | 0.078 (5) | 0.006 (3) | −0.018 (3) | 0.003 (3) |
C27 | 0.069 (5) | 0.030 (3) | 0.053 (4) | 0.002 (3) | −0.030 (4) | 0.004 (3) |
C28 | 0.061 (4) | 0.040 (3) | 0.039 (3) | −0.002 (3) | −0.002 (3) | 0.005 (3) |
C29 | 0.059 (5) | 0.090 (6) | 0.109 (7) | −0.018 (5) | −0.006 (5) | 0.024 (5) |
C30 | 0.116 (7) | 0.051 (4) | 0.077 (5) | −0.010 (5) | −0.030 (5) | −0.007 (4) |
C17B | 0.096 (9) | 0.157 (13) | 0.056 (7) | −0.053 (9) | 0.039 (7) | −0.054 (8) |
C18B | 0.066 (7) | 0.129 (12) | 0.084 (8) | 0.034 (8) | 0.022 (6) | −0.024 (8) |
C16B | 0.118 (11) | 0.106 (10) | 0.077 (8) | −0.056 (9) | 0.057 (8) | −0.038 (7) |
Geometric parameters (Å, º) top
Ti1—Cl1 | 2.413 (2) | C19—C20 | 1.390 (9) |
Ti1—C3 | 2.384 (6) | C19—C23 | 1.402 (8) |
Ti1—C4 | 2.382 (6) | C20—C21 | 1.411 (10) |
Ti1—C5 | 2.446 (7) | C21—C22 | 1.385 (9) |
Ti1—C6 | 2.424 (7) | C22—C23 | 1.396 (10) |
Ti1—C7 | 2.360 (6) | C24—C25 | 1.414 (9) |
Ti1—C8 | 2.389 (6) | C24—C28 | 1.415 (8) |
Ti1—C9 | 2.386 (6) | C25—C26 | 1.390 (9) |
Ti1—C10 | 2.452 (6) | C26—C27 | 1.375 (10) |
Ti1—C11 | 2.434 (6) | C27—C28 | 1.398 (11) |
Ti1—C12 | 2.380 (6) | C1—H1A | 0.9600 |
Ti1—C13 | 2.043 (6) | C1—H1B | 0.9600 |
Ti1—Cg1 | 2.081 (3) | C1—H1C | 0.9600 |
Ti1—Cg2 | 2.091 (3) | C2—H2A | 0.9600 |
Ti2—Cl1 | 2.559 (2) | C2—H2B | 0.9600 |
Ti2—C13 | 2.288 (6) | C2—H2C | 0.9600 |
Ti2—C14 | 2.262 (6) | C4—H4 | 0.9300 |
Ti2—C19 | 2.411 (6) | C5—H5 | 0.9300 |
Ti2—C20 | 2.397 (7) | C6—H6 | 0.9300 |
Ti2—C21 | 2.463 (7) | C7—H7 | 0.9300 |
Ti2—C22 | 2.485 (6) | C9—H9 | 0.9300 |
Ti2—C23 | 2.420 (6) | C10—H10 | 0.9300 |
Ti2—C24 | 2.415 (6) | C11—H11 | 0.9300 |
Ti2—C25 | 2.415 (6) | C12—H12 | 0.9300 |
Ti2—C26 | 2.472 (6) | C16A—H16A | 0.9600 |
Ti2—C27 | 2.459 (7) | C16A—H16B | 0.9600 |
Ti2—C28 | 2.384 (6) | C16A—H16C | 0.9600 |
Ti2—Cg3 | 2.126 (3) | C16B—H16F | 0.9600 |
Ti2—Cg4 | 2.118 (3) | C16B—H16D | 0.9700 |
Ti2—Cg5 | 2.190 (5) | C16B—H16E | 0.9600 |
Si1—C1 | 1.846 (6) | C17A—H17B | 0.9600 |
Si1—C2 | 1.855 (8) | C17A—H17A | 0.9600 |
Si1—C3 | 1.852 (6) | C17A—H17C | 0.9600 |
Si1—C8 | 1.851 (6) | C17B—H17F | 0.9500 |
Si2—C19 | 1.850 (6) | C17B—H17D | 0.9600 |
Si2—C24 | 1.840 (7) | C17B—H17E | 0.9600 |
Si2—C29 | 1.873 (10) | C18A—H18B | 0.9600 |
Si2—C30 | 1.850 (8) | C18A—H18A | 0.9600 |
C3—C4 | 1.423 (8) | C18A—H18C | 0.9600 |
C3—C7 | 1.420 (9) | C18B—H18D | 0.9600 |
C4—C5 | 1.377 (10) | C18B—H18E | 0.9500 |
C5—C6 | 1.409 (10) | C18B—H18F | 0.9600 |
C6—C7 | 1.391 (10) | C20—H20 | 0.9300 |
C8—C9 | 1.421 (8) | C21—H21 | 0.9300 |
C8—C12 | 1.423 (8) | C22—H22 | 0.9300 |
C9—C10 | 1.391 (9) | C23—H23 | 0.9300 |
C10—C11 | 1.401 (9) | C25—H25 | 0.9300 |
C11—C12 | 1.388 (10) | C26—H26 | 0.9300 |
C13—C14 | 1.227 (8) | C27—H27 | 0.9300 |
C14—C15 | 1.543 (8) | C28—H28 | 0.9300 |
C15—C16A | 1.496 (16) | C29—H29B | 0.9600 |
C15—C17A | 1.521 (16) | C29—H29C | 0.9600 |
C15—C18A | 1.528 (17) | C29—H29A | 0.9600 |
C15—C16B | 1.47 (3) | C30—H30C | 0.9600 |
C15—C17B | 1.52 (4) | C30—H30A | 0.9600 |
C15—C18B | 1.47 (4) | C30—H30B | 0.9600 |
| | | |
Ti2···H26 | 3.0600 | C7···H1Biv | 2.9200 |
Ti2···H27 | 3.0500 | C8···H9 | 2.1000 |
Cl1···C4 | 3.562 (7) | C8···H12 | 2.1000 |
Cl1···C5 | 3.094 (7) | C9···H10 | 2.0800 |
Cl1···C9 | 3.586 (6) | C10···H30Avi | 2.8800 |
Cl1···C10 | 3.126 (6) | C10···H21 | 2.7500 |
Cl1···C13 | 3.169 (6) | C10···H11 | 2.0900 |
Cl1···C20 | 3.183 (7) | C10···H9 | 2.0700 |
Cl1···C21 | 3.144 (7) | C11···H30Avi | 2.8000 |
Cl1···C27 | 3.160 (6) | C11···H21 | 2.8500 |
Cl1···C28 | 3.189 (6) | C11···H12 | 2.0700 |
Cl1···H5 | 2.9500 | C11···H10 | 2.0900 |
Cl1···H10 | 2.9900 | C12···H30Avi | 2.9400 |
Cl1···H20 | 3.0700 | C12···H11 | 2.0800 |
Cl1···H21 | 3.0200 | C13···H16B | 2.9100 |
Cl1···H27 | 3.0400 | C13···H17D | 2.8800 |
Cl1···H28 | 3.0700 | C13···H11 | 2.8400 |
Cl1···H1Ci | 2.7900 | C13···H6 | 2.8300 |
Cl1···H4i | 2.9200 | C13···H18D | 3.0400 |
Cl1···H9i | 2.9300 | C14···H22 | 2.9400 |
C3···C8 | 2.659 (8) | C14···H26 | 2.8900 |
C3···C5 | 2.292 (9) | C16A···H16Bii | 3.0500 |
C3···C6 | 2.293 (9) | C16B···H16Fiii | 2.9800 |
C3···C9 | 3.287 (8) | C16B···H25 | 2.8400 |
C3···C12 | 3.382 (8) | C17A···H23 | 2.9000 |
C4···C9 | 3.318 (9) | C18A···H26 | 2.9100 |
C4···Si1 | 2.896 (7) | C18B···H22 | 2.9900 |
C4···C6 | 2.251 (9) | C19···H23 | 2.0900 |
C4···Cl1 | 3.562 (7) | C19···H17Fvii | 3.0100 |
C4···C8 | 3.300 (8) | C19···H20 | 2.0700 |
C4···C7 | 2.257 (9) | C20···H7vii | 2.9600 |
C5···C3 | 2.292 (9) | C20···H21 | 2.1000 |
C5···Cl1 | 3.094 (7) | C21···H20 | 2.0900 |
C5···C7 | 2.263 (10) | C21···H11 | 2.9100 |
C5···C27 | 3.510 (9) | C21···H22 | 2.0700 |
C6···C27 | 3.390 (10) | C22···H18E | 2.9500 |
C6···C13 | 2.863 (9) | C22···H11 | 2.9100 |
C6···Ti2 | 4.073 (7) | C22···H17C | 3.0900 |
C6···C3 | 2.293 (9) | C22···H21 | 2.0700 |
C6···C4 | 2.251 (9) | C22···H23 | 2.0800 |
C7···C13 | 3.025 (9) | C23···H22 | 2.0800 |
C7···C8 | 3.362 (9) | C23···H17C | 3.0300 |
C7···C12 | 3.517 (9) | C24···H28 | 2.1000 |
C7···C5 | 2.263 (10) | C24···H1Aviii | 3.0500 |
C7···C4 | 2.257 (9) | C24···H25 | 2.1000 |
C7···Si1 | 2.922 (7) | C25···H16E | 2.9300 |
C8···C4 | 3.300 (8) | C25···H26 | 2.0700 |
C8···C10 | 2.295 (9) | C26···H18A | 2.9000 |
C8···C3 | 2.659 (8) | C26···H6 | 2.8800 |
C8···C11 | 2.296 (9) | C26···H16E | 3.0000 |
C8···C7 | 3.362 (9) | C26···H25 | 2.0700 |
C9···C11 | 2.259 (8) | C26···H27 | 2.0700 |
C9···C12 | 2.258 (8) | C26···H1Aviii | 2.9600 |
C9···C4 | 3.318 (9) | C27···H6 | 2.8800 |
C9···Si1 | 2.882 (6) | C27···H26 | 2.0600 |
C9···C3 | 3.287 (8) | C27···H1Aviii | 2.7800 |
C9···Cl1 | 3.586 (6) | C27···H28 | 2.0800 |
C10···Cl1 | 3.126 (6) | C28···H1Aviii | 2.8500 |
C10···C21 | 3.516 (9) | C28···H27 | 2.0900 |
C10···C12 | 2.256 (9) | H1A···C26vi | 2.9600 |
C10···C8 | 2.295 (9) | H1A···C27vi | 2.7800 |
C11···Ti2 | 4.098 (6) | H1A···C24vi | 3.0500 |
C11···C13 | 2.875 (8) | H1A···C28vi | 2.8500 |
C11···C8 | 2.296 (9) | H1B···C5iv | 2.9100 |
C11···C21 | 3.410 (10) | H1B···C6iv | 2.6900 |
C11···C9 | 2.259 (8) | H1B···C7iv | 2.9200 |
C12···C10 | 2.256 (9) | H1C···Cl1i | 2.7900 |
C12···C9 | 2.258 (8) | H2B···H18Fii | 2.1800 |
C12···C3 | 3.382 (8) | H2B···H16Aii | 2.5600 |
C12···C13 | 3.041 (8) | H2C···H10v | 2.5700 |
C12···C7 | 3.517 (9) | H4···Cl1i | 2.9200 |
C12···Si1 | 2.935 (6) | H5···H27 | 2.2800 |
C13···C6 | 2.863 (9) | H6···C26 | 2.8800 |
C13···C11 | 2.875 (8) | H6···H27 | 2.4600 |
C13···C15 | 2.607 (8) | H6···C27 | 2.8800 |
C13···C27 | 3.549 (9) | H6···H26 | 2.4500 |
C13···C12 | 3.041 (8) | H7···C20v | 2.9600 |
C13···C26 | 3.283 (8) | H7···H20v | 2.5000 |
C13···Cl1 | 3.169 (6) | H9···Cl1i | 2.9300 |
C13···C21 | 3.549 (9) | H10···H2Cvii | 2.5700 |
C13···C7 | 3.025 (9) | H10···H21 | 2.2700 |
C13···C22 | 3.302 (9) | H11···C22 | 2.9100 |
C14···C25 | 3.255 (8) | H11···H21 | 2.4800 |
C14···Ti1 | 3.268 (6) | H11···H22 | 2.4900 |
C14···C22 | 3.028 (9) | H11···C21 | 2.9100 |
C14···C26 | 2.988 (9) | H11···C13 | 2.8400 |
C14···C23 | 3.299 (9) | H16A···H17B | 2.4400 |
C16A···C16Aii | 3.59 (2) | H16A···H2Bii | 2.5600 |
C16B···C16Biii | 3.48 (5) | H16A···H18C | 2.4900 |
C16B···C25 | 3.41 (4) | H16B···C13 | 2.9100 |
C17A···C23 | 3.464 (16) | H16B···C16Aii | 3.0500 |
C18A···C26 | 3.549 (15) | H16B···H18B | 2.4600 |
C19···C21 | 2.278 (9) | H16C···H17C | 2.5100 |
C19···C24 | 2.655 (8) | H16D···H18E | 2.4500 |
C19···C25 | 3.329 (9) | H16D···H25 | 2.4400 |
C19···C28 | 3.328 (9) | H16E···H25 | 2.4300 |
C19···C22 | 2.274 (9) | H16E···C25 | 2.9300 |
C20···C23 | 2.242 (9) | H16E···C26 | 3.0000 |
C20···Cl1 | 3.183 (7) | H16E···H26 | 2.5700 |
C20···Si2 | 2.887 (7) | H16E···H17F | 2.4300 |
C20···C24 | 3.340 (9) | H16F···C16Biii | 2.9800 |
C20···C22 | 2.254 (9) | H16F···H17E | 2.4000 |
C20···C28 | 3.446 (9) | H16F···H18F | 2.5000 |
C21···C10 | 3.516 (9) | H17A···H18A | 2.4500 |
C21···C11 | 3.410 (10) | H17A···H23 | 2.4700 |
C21···C13 | 3.549 (9) | H17B···H16A | 2.4400 |
C21···C19 | 2.278 (9) | H17B···H18C | 2.4700 |
C21···Cl1 | 3.144 (7) | H17C···C22 | 3.0900 |
C21···C23 | 2.252 (9) | H17C···C23 | 3.0300 |
C21···Ti1 | 4.092 (7) | H17C···H16C | 2.5100 |
C22···C14 | 3.028 (9) | H17C···H23 | 2.5200 |
C22···C20 | 2.254 (9) | H17D···C13 | 2.8800 |
C22···C19 | 2.274 (9) | H17D···H18D | 2.4200 |
C22···C13 | 3.302 (9) | H17E···H16F | 2.4000 |
C23···C25 | 3.393 (9) | H17E···H18F | 2.4600 |
C23···C17A | 3.464 (16) | H17F···H16E | 2.4300 |
C23···Si2 | 2.869 (7) | H17F···C19v | 3.0100 |
C23···C24 | 3.302 (8) | H18A···C26 | 2.9000 |
C23···C14 | 3.299 (9) | H18A···H17A | 2.4500 |
C23···C20 | 2.242 (9) | H18A···H26 | 2.3100 |
C23···C21 | 2.252 (9) | H18B···H16B | 2.4600 |
C24···C19 | 2.655 (8) | H18C···H16A | 2.4900 |
C24···C23 | 3.302 (8) | H18C···H17B | 2.4700 |
C24···C26 | 2.280 (10) | H18D···C13 | 3.0400 |
C24···C27 | 2.290 (10) | H18D···H17D | 2.4200 |
C24···C20 | 3.340 (9) | H18E···C22 | 2.9500 |
C25···Si2 | 2.897 (7) | H18E···H22 | 2.3500 |
C25···C14 | 3.255 (8) | H18E···H16D | 2.4500 |
C25···C28 | 2.252 (9) | H18F···H2Bii | 2.1800 |
C25···C19 | 3.329 (9) | H18F···C2ii | 3.0000 |
C25···C23 | 3.393 (9) | H18F···H16F | 2.5000 |
C25···C16B | 3.41 (4) | H18F···H17E | 2.4600 |
C25···C27 | 2.248 (10) | H20···H7vii | 2.5000 |
C26···C18A | 3.549 (15) | H20···C7vii | 2.9900 |
C26···C24 | 2.280 (10) | H21···H10 | 2.2700 |
C26···C13 | 3.283 (8) | H21···C10 | 2.7500 |
C26···C14 | 2.988 (9) | H21···C11 | 2.8500 |
C26···C28 | 2.242 (10) | H21···H11 | 2.4800 |
C27···C25 | 2.248 (10) | H22···H18E | 2.3500 |
C27···C6 | 3.390 (10) | H22···H11 | 2.4900 |
C27···Cl1 | 3.160 (6) | H22···C18B | 2.9900 |
C27···Ti1 | 4.102 (6) | H23···H17C | 2.5200 |
C27···C13 | 3.549 (9) | H23···C17A | 2.9000 |
C27···C5 | 3.510 (9) | H23···H17A | 2.4700 |
C27···C24 | 2.290 (10) | H25···H16E | 2.4300 |
C28···C19 | 3.328 (9) | H25···C16B | 2.8400 |
C28···C25 | 2.252 (9) | H25···H16D | 2.4400 |
C28···Si2 | 2.886 (7) | H26···C14 | 2.8900 |
C28···C20 | 3.446 (9) | H26···Ti2 | 3.0600 |
C28···Cl1 | 3.189 (6) | H26···H18A | 2.3100 |
C28···C26 | 2.242 (10) | H26···C18A | 2.9100 |
C2···H18Fii | 3.0000 | H26···H6 | 2.4500 |
C3···H4 | 2.1000 | H26···H29Bv | 2.4600 |
C3···H7 | 2.1000 | H26···H16E | 2.5700 |
C4···H5 | 2.0700 | H27···Cl1 | 3.0400 |
C5···H4 | 2.0600 | H27···Ti2 | 3.0500 |
C5···H27 | 2.7600 | H27···H5 | 2.2800 |
C5···H6 | 2.1000 | H27···C5 | 2.7600 |
C5···H1Biv | 2.9100 | H27···C6 | 2.8400 |
C6···H27 | 2.8400 | H27···H6 | 2.4600 |
C6···H7 | 2.0700 | H28···Cl1 | 3.0700 |
C6···H1Biv | 2.6900 | H29B···H26vii | 2.4600 |
C6···H5 | 2.1000 | H30A···C12viii | 2.9400 |
C7···H20v | 2.9900 | H30A···C10viii | 2.8800 |
C7···H6 | 2.0800 | H30A···C11viii | 2.8000 |
| | | |
Cl1—Ti1—C3 | 130.60 (15) | Ti1—C7—C3 | 73.5 (3) |
Cl1—Ti1—C4 | 95.95 (17) | Ti1—C7—C6 | 75.7 (4) |
Cl1—Ti1—C5 | 79.11 (17) | C3—C7—C6 | 109.3 (6) |
Cl1—Ti1—C6 | 98.41 (17) | Ti1—C8—Si1 | 100.1 (2) |
Cl1—Ti1—C7 | 131.72 (18) | Ti1—C8—C9 | 72.6 (3) |
Cl1—Ti1—C8 | 131.26 (15) | Ti1—C8—C12 | 72.3 (3) |
Cl1—Ti1—C9 | 96.73 (15) | Si1—C8—C9 | 123.0 (4) |
Cl1—Ti1—C10 | 79.96 (16) | Si1—C8—C12 | 126.9 (5) |
Cl1—Ti1—C11 | 99.07 (18) | C9—C8—C12 | 105.1 (5) |
Cl1—Ti1—C12 | 132.10 (18) | Ti1—C9—C8 | 72.8 (3) |
C3—Ti1—C5 | 56.7 (2) | Ti1—C9—C10 | 75.9 (3) |
C3—Ti1—C6 | 57.0 (2) | C8—C9—C10 | 109.4 (5) |
C3—Ti1—C7 | 34.8 (2) | Ti1—C10—C9 | 70.7 (4) |
C3—Ti1—C8 | 67.7 (2) | Ti1—C10—C11 | 72.6 (4) |
C3—Ti1—C9 | 87.1 (2) | C9—C10—C11 | 108.0 (6) |
C3—Ti1—C10 | 119.9 (2) | Ti1—C11—C10 | 74.1 (4) |
C3—Ti1—C11 | 122.4 (2) | Ti1—C11—C12 | 71.1 (4) |
C3—Ti1—C12 | 90.5 (2) | C10—C11—C12 | 108.0 (5) |
C3—Ti1—C13 | 120.6 (2) | Ti1—C12—C8 | 73.0 (3) |
C4—Ti1—C5 | 33.1 (2) | Ti1—C12—C11 | 75.4 (3) |
C4—Ti1—C6 | 55.9 (2) | C8—C12—C11 | 109.5 (5) |
C4—Ti1—C7 | 56.8 (2) | Ti1—C13—Ti2 | 102.6 (2) |
C4—Ti1—C8 | 87.5 (2) | Ti1—C13—C14 | 175.7 (5) |
C4—Ti1—C9 | 88.2 (2) | Ti2—C13—C14 | 73.2 (4) |
C4—Ti1—C10 | 118.4 (2) | Ti2—C14—C13 | 75.5 (4) |
C4—Ti1—C11 | 142.3 (2) | Ti2—C14—C15 | 144.2 (4) |
C4—Ti1—C12 | 119.2 (2) | C13—C14—C15 | 140.2 (6) |
C4—Ti1—C13 | 135.1 (2) | C14—C15—C16A | 108.3 (7) |
C5—Ti1—C6 | 33.6 (2) | C14—C15—C17A | 112.7 (7) |
C5—Ti1—C7 | 56.1 (2) | C14—C15—C18A | 107.9 (6) |
C5—Ti1—C8 | 120.0 (2) | C14—C15—C16B | 113.5 (18) |
C5—Ti1—C9 | 118.2 (2) | C14—C15—C17B | 107.6 (13) |
C5—Ti1—C10 | 140.7 (2) | C14—C15—C18B | 105.5 (15) |
C5—Ti1—C11 | 173.8 (2) | C16A—C15—C17A | 109.9 (9) |
C5—Ti1—C12 | 147.0 (2) | C16A—C15—C18A | 109.8 (9) |
C5—Ti1—C13 | 106.5 (2) | C17A—C15—C18A | 108.3 (10) |
C6—Ti1—C7 | 33.8 (2) | C16B—C15—C17B | 108 (3) |
C6—Ti1—C8 | 122.4 (2) | C16B—C15—C18B | 112 (2) |
C6—Ti1—C9 | 142.1 (2) | C17B—C15—C18B | 110 (2) |
C6—Ti1—C10 | 174.0 (2) | Ti2—C19—Si2 | 100.5 (3) |
C6—Ti1—C11 | 152.3 (2) | Ti2—C19—C20 | 72.6 (4) |
C6—Ti1—C12 | 127.6 (2) | Ti2—C19—C23 | 73.5 (4) |
C6—Ti1—C13 | 79.2 (2) | Si2—C19—C20 | 125.4 (5) |
C7—Ti1—C8 | 90.2 (2) | Si2—C19—C23 | 123.3 (5) |
C7—Ti1—C9 | 118.7 (2) | C20—C19—C23 | 106.9 (5) |
C7—Ti1—C10 | 146.6 (2) | Ti2—C20—C19 | 73.8 (4) |
C7—Ti1—C11 | 127.3 (2) | Ti2—C20—C21 | 75.7 (4) |
C7—Ti1—C12 | 95.8 (2) | C19—C20—C21 | 108.8 (6) |
C7—Ti1—C13 | 86.5 (2) | Ti2—C21—C20 | 70.6 (4) |
C8—Ti1—C9 | 34.6 (2) | Ti2—C21—C22 | 74.6 (4) |
C8—Ti1—C10 | 56.6 (2) | C20—C21—C22 | 107.4 (6) |
C8—Ti1—C11 | 56.8 (2) | Ti2—C22—C21 | 72.9 (4) |
C8—Ti1—C12 | 34.72 (19) | Ti2—C22—C23 | 70.9 (4) |
C8—Ti1—C13 | 120.4 (2) | C21—C22—C23 | 108.1 (6) |
C9—Ti1—C10 | 33.4 (2) | Ti2—C23—C19 | 72.8 (3) |
C9—Ti1—C11 | 55.88 (19) | Ti2—C23—C22 | 76.0 (4) |
C9—Ti1—C12 | 56.6 (2) | C19—C23—C22 | 108.7 (5) |
C9—Ti1—C13 | 135.3 (2) | Ti2—C24—Si2 | 100.7 (3) |
C10—Ti1—C11 | 33.3 (2) | Ti2—C24—C25 | 73.0 (3) |
C10—Ti1—C12 | 55.6 (2) | Ti2—C24—C28 | 71.7 (3) |
C10—Ti1—C13 | 106.5 (2) | Si2—C24—C25 | 125.3 (5) |
C11—Ti1—C12 | 33.5 (2) | Si2—C24—C28 | 124.4 (5) |
C11—Ti1—C13 | 79.4 (2) | C25—C24—C28 | 105.5 (6) |
C12—Ti1—C13 | 86.5 (2) | Ti2—C25—C24 | 73.0 (3) |
Cg1—Ti1—Cg2 | 128.96 (13) | Ti2—C25—C26 | 75.8 (3) |
Cg1—Ti1—Cl1 | 108.25 (11) | C24—C25—C26 | 108.8 (6) |
Cg1—Ti1—C13 | 106.72 (19) | Ti2—C26—C25 | 71.2 (4) |
Cg2—Ti1—Cl1 | 109.01 (10) | Ti2—C26—C27 | 73.3 (4) |
Cg2—Ti1—C13 | 106.71 (18) | C25—C26—C27 | 108.8 (6) |
Cl1—Ti1—C13 | 90.27 (17) | Ti2—C27—C26 | 74.3 (4) |
C3—Ti1—C4 | 34.8 (2) | Ti2—C27—C28 | 70.3 (4) |
Cl1—Ti2—C13 | 81.44 (15) | C26—C27—C28 | 107.9 (6) |
Cl1—Ti2—C14 | 112.72 (16) | Ti2—C28—C24 | 74.0 (3) |
Cl1—Ti2—C19 | 111.91 (15) | Ti2—C28—C27 | 76.2 (4) |
Cl1—Ti2—C20 | 79.86 (17) | C24—C28—C27 | 109.0 (6) |
Cl1—Ti2—C21 | 77.48 (17) | Si1—C1—H1A | 109.00 |
Cl1—Ti2—C22 | 106.85 (16) | Si1—C1—H1B | 109.00 |
Cl1—Ti2—C23 | 131.30 (17) | Si1—C1—H1C | 109.00 |
Cl1—Ti2—C24 | 112.93 (15) | H1A—C1—H1B | 110.00 |
Cl1—Ti2—C25 | 132.02 (18) | H1A—C1—H1C | 109.00 |
Cl1—Ti2—C26 | 107.06 (17) | H1B—C1—H1C | 110.00 |
Cl1—Ti2—C27 | 78.01 (16) | Si1—C2—H2A | 109.00 |
Cl1—Ti2—C28 | 80.27 (15) | Si1—C2—H2B | 109.00 |
C13—Ti2—C14 | 31.3 (2) | Si1—C2—H2C | 109.00 |
C13—Ti2—C19 | 142.4 (2) | H2A—C2—H2B | 109.00 |
C13—Ti2—C20 | 129.7 (2) | H2A—C2—H2C | 109.00 |
C13—Ti2—C21 | 96.6 (2) | H2B—C2—H2C | 109.00 |
C13—Ti2—C22 | 87.4 (2) | Ti1—C4—H4 | 118.00 |
C13—Ti2—C23 | 111.0 (2) | C3—C4—H4 | 125.00 |
C13—Ti2—C24 | 142.2 (2) | C5—C4—H4 | 125.00 |
C13—Ti2—C25 | 110.2 (2) | Ti1—C5—H5 | 122.00 |
C13—Ti2—C26 | 87.1 (2) | C4—C5—H5 | 126.00 |
C13—Ti2—C27 | 96.7 (2) | C6—C5—H5 | 126.00 |
C13—Ti2—C28 | 129.6 (2) | Ti1—C6—H6 | 121.00 |
C14—Ti2—C19 | 123.1 (2) | C5—C6—H6 | 126.00 |
C14—Ti2—C20 | 133.8 (2) | C7—C6—H6 | 126.00 |
C14—Ti2—C21 | 103.1 (2) | Ti1—C7—H7 | 117.00 |
C14—Ti2—C22 | 79.1 (2) | C3—C7—H7 | 125.00 |
C14—Ti2—C23 | 89.5 (2) | C6—C7—H7 | 125.00 |
C14—Ti2—C24 | 122.0 (2) | Ti1—C9—H9 | 118.00 |
C14—Ti2—C25 | 88.2 (2) | C8—C9—H9 | 125.00 |
C14—Ti2—C26 | 78.1 (2) | C10—C9—H9 | 125.00 |
C14—Ti2—C27 | 102.3 (2) | Ti1—C10—H10 | 122.00 |
C14—Ti2—C28 | 132.8 (2) | C9—C10—H10 | 126.00 |
C19—Ti2—C20 | 33.6 (2) | C11—C10—H10 | 126.00 |
C19—Ti2—C21 | 55.7 (2) | Ti1—C11—H11 | 121.00 |
C19—Ti2—C22 | 55.3 (2) | C10—C11—H11 | 126.00 |
C19—Ti2—C23 | 33.7 (2) | C12—C11—H11 | 126.00 |
C19—Ti2—C24 | 66.8 (2) | Ti1—C12—H12 | 118.00 |
C19—Ti2—C25 | 87.2 (2) | C8—C12—H12 | 125.00 |
C19—Ti2—C26 | 119.2 (2) | C11—C12—H12 | 125.00 |
C19—Ti2—C27 | 120.1 (2) | C15—C16A—H16A | 109.00 |
C19—Ti2—C28 | 87.9 (2) | C15—C16A—H16B | 110.00 |
C20—Ti2—C21 | 33.7 (2) | C15—C16A—H16C | 109.00 |
C20—Ti2—C22 | 55.0 (2) | H16A—C16A—H16B | 109.00 |
C20—Ti2—C23 | 55.5 (2) | H16A—C16A—H16C | 109.00 |
C20—Ti2—C24 | 87.9 (2) | H16B—C16A—H16C | 110.00 |
C20—Ti2—C25 | 117.0 (2) | H16E—C16B—H16F | 110.00 |
C20—Ti2—C26 | 143.1 (2) | C15—C16B—H16F | 110.00 |
C20—Ti2—C27 | 123.9 (2) | C15—C16B—H16D | 109.00 |
C20—Ti2—C28 | 92.2 (3) | C15—C16B—H16E | 110.00 |
C21—Ti2—C22 | 32.5 (2) | H16D—C16B—H16E | 109.00 |
C21—Ti2—C23 | 54.9 (2) | H16D—C16B—H16F | 109.00 |
C21—Ti2—C24 | 120.2 (2) | C15—C17A—H17B | 109.00 |
C21—Ti2—C25 | 141.6 (2) | C15—C17A—H17A | 109.00 |
C21—Ti2—C26 | 174.6 (2) | H17A—C17A—H17B | 109.00 |
C21—Ti2—C27 | 149.9 (2) | H17A—C17A—H17C | 109.00 |
C21—Ti2—C28 | 124.1 (2) | C15—C17A—H17C | 110.00 |
C22—Ti2—C23 | 33.0 (2) | H17B—C17A—H17C | 109.00 |
C22—Ti2—C24 | 118.3 (2) | C15—C17B—H17D | 109.00 |
C22—Ti2—C25 | 119.7 (2) | C15—C17B—H17E | 109.00 |
C22—Ti2—C26 | 144.4 (2) | C15—C17B—H17F | 110.00 |
C22—Ti2—C27 | 174.1 (2) | H17D—C17B—H17E | 109.00 |
C22—Ti2—C28 | 142.9 (2) | H17D—C17B—H17F | 110.00 |
C23—Ti2—C24 | 86.1 (2) | H17E—C17B—H17F | 110.00 |
C23—Ti2—C25 | 89.1 (2) | C15—C18A—H18B | 109.00 |
C23—Ti2—C26 | 120.0 (2) | C15—C18A—H18C | 109.00 |
C23—Ti2—C27 | 141.1 (2) | C15—C18A—H18A | 110.00 |
C23—Ti2—C28 | 116.3 (2) | H18A—C18A—H18B | 109.00 |
C24—Ti2—C25 | 34.1 (2) | H18A—C18A—H18C | 110.00 |
C24—Ti2—C26 | 55.6 (2) | H18B—C18A—H18C | 109.00 |
C24—Ti2—C27 | 56.0 (2) | C15—C18B—H18D | 109.00 |
C24—Ti2—C28 | 34.30 (19) | C15—C18B—H18E | 110.00 |
C25—Ti2—C26 | 33.0 (2) | C15—C18B—H18F | 109.00 |
C25—Ti2—C27 | 54.9 (2) | H18E—C18B—H18F | 110.00 |
C25—Ti2—C28 | 56.0 (2) | H18D—C18B—H18E | 110.00 |
C26—Ti2—C27 | 32.4 (2) | H18D—C18B—H18F | 109.00 |
C26—Ti2—C28 | 55.0 (2) | C19—C20—H20 | 126.00 |
C27—Ti2—C28 | 33.5 (3) | Ti2—C20—H20 | 117.00 |
Cg3—Ti2—Cg4 | 126.70 (13) | C21—C20—H20 | 126.00 |
Cg3—Ti2—Cg5 | 111.61 (15) | Ti2—C21—H21 | 120.00 |
Cg3—Ti2—Cl1 | 102.27 (10) | C20—C21—H21 | 126.00 |
Cg4—Ti2—Cg5 | 110.88 (15) | C22—C21—H21 | 126.00 |
Cg4—Ti2—Cl1 | 102.93 (9) | C23—C22—H22 | 126.00 |
Cg5—Ti2—Cl1 | 97.00 (13) | C21—C22—H22 | 126.00 |
Ti1—Cl1—Ti2 | 85.72 (7) | Ti2—C22—H22 | 122.00 |
C1—Si1—C2 | 112.6 (3) | Ti2—C23—H23 | 118.00 |
C1—Si1—C3 | 112.8 (3) | C19—C23—H23 | 126.00 |
C1—Si1—C8 | 111.9 (3) | C22—C23—H23 | 126.00 |
C2—Si1—C3 | 112.2 (3) | Ti2—C25—H25 | 118.00 |
C2—Si1—C8 | 114.0 (3) | C26—C25—H25 | 126.00 |
C3—Si1—C8 | 91.8 (3) | C24—C25—H25 | 126.00 |
C19—Si2—C24 | 92.0 (3) | C25—C26—H26 | 126.00 |
C19—Si2—C29 | 113.3 (3) | Ti2—C26—H26 | 122.00 |
C19—Si2—C30 | 111.0 (3) | C27—C26—H26 | 126.00 |
C24—Si2—C29 | 112.2 (4) | C26—C27—H27 | 126.00 |
C24—Si2—C30 | 113.8 (4) | Ti2—C27—H27 | 121.00 |
C29—Si2—C30 | 112.9 (4) | C28—C27—H27 | 126.00 |
Ti1—C3—Si1 | 100.3 (3) | C24—C28—H28 | 125.00 |
Ti1—C3—C4 | 72.6 (3) | C27—C28—H28 | 126.00 |
Ti1—C3—C7 | 71.7 (3) | Ti2—C28—H28 | 116.00 |
Si1—C3—C4 | 123.7 (5) | Si2—C29—H29B | 110.00 |
Si1—C3—C7 | 126.0 (5) | H29A—C29—H29C | 109.00 |
C4—C3—C7 | 105.1 (5) | Si2—C29—H29C | 109.00 |
Ti1—C4—C3 | 72.7 (3) | H29A—C29—H29B | 109.00 |
Ti1—C4—C5 | 76.0 (4) | Si2—C29—H29A | 110.00 |
C3—C4—C5 | 109.9 (6) | H29B—C29—H29C | 109.00 |
Ti1—C5—C4 | 70.9 (4) | Si2—C30—H30C | 109.00 |
Ti1—C5—C6 | 72.3 (4) | H30A—C30—H30C | 110.00 |
C4—C5—C6 | 107.8 (6) | H30B—C30—H30C | 109.00 |
Ti1—C6—C5 | 74.1 (4) | H30A—C30—H30B | 109.00 |
Ti1—C6—C7 | 70.6 (4) | Si2—C30—H30A | 109.00 |
C5—C6—C7 | 107.9 (6) | Si2—C30—H30B | 110.00 |
| | | |
C3—Ti1—Cl1—Ti2 | −132.32 (19) | C28—Ti2—C19—Si2 | −26.8 (3) |
C4—Ti1—Cl1—Ti2 | −135.40 (17) | C28—Ti2—C19—C20 | 97.2 (4) |
C5—Ti1—Cl1—Ti2 | −106.79 (17) | C28—Ti2—C19—C23 | −148.6 (4) |
C6—Ti1—Cl1—Ti2 | −79.12 (17) | Cl1—Ti2—C20—C19 | −162.5 (4) |
C7—Ti1—Cl1—Ti2 | −85.5 (2) | Cl1—Ti2—C20—C21 | 82.6 (4) |
C8—Ti1—Cl1—Ti2 | 132.65 (19) | C13—Ti2—C20—C19 | 127.7 (4) |
C9—Ti1—Cl1—Ti2 | 135.71 (15) | C13—Ti2—C20—C21 | 12.8 (5) |
C10—Ti1—Cl1—Ti2 | 106.72 (17) | C14—Ti2—C20—C19 | 85.6 (4) |
C11—Ti1—Cl1—Ti2 | 79.29 (15) | C14—Ti2—C20—C21 | −29.2 (5) |
C12—Ti1—Cl1—Ti2 | 85.6 (2) | C19—Ti2—C20—C21 | −114.9 (6) |
C13—Ti1—Cl1—Ti2 | 0.02 (19) | C21—Ti2—C20—C19 | 114.9 (6) |
Cl1—Ti1—C3—Si1 | −127.68 (19) | C22—Ti2—C20—C19 | 78.4 (4) |
Cl1—Ti1—C3—C4 | −5.4 (4) | C22—Ti2—C20—C21 | −36.4 (4) |
Cl1—Ti1—C3—C7 | 107.6 (4) | C23—Ti2—C20—C19 | 37.9 (4) |
C4—Ti1—C3—Si1 | −122.3 (5) | C23—Ti2—C20—C21 | −76.9 (4) |
C4—Ti1—C3—C7 | 113.0 (5) | C24—Ti2—C20—C19 | −48.8 (4) |
C5—Ti1—C3—Si1 | −158.1 (4) | C24—Ti2—C20—C21 | −163.7 (4) |
C5—Ti1—C3—C4 | −35.8 (4) | C25—Ti2—C20—C19 | −30.3 (4) |
C5—Ti1—C3—C7 | 77.2 (4) | C25—Ti2—C20—C21 | −145.2 (4) |
C6—Ti1—C3—Si1 | 161.4 (4) | C26—Ti2—C20—C19 | −57.6 (5) |
C6—Ti1—C3—C4 | −76.3 (4) | C26—Ti2—C20—C21 | −172.4 (4) |
C6—Ti1—C3—C7 | 36.8 (4) | C27—Ti2—C20—C19 | −94.5 (4) |
C7—Ti1—C3—Si1 | 124.7 (5) | C27—Ti2—C20—C21 | 150.6 (4) |
C7—Ti1—C3—C4 | −113.0 (5) | C28—Ti2—C20—C19 | −82.8 (4) |
C8—Ti1—C3—Si1 | −1.7 (2) | C28—Ti2—C20—C21 | 162.3 (4) |
C8—Ti1—C3—C4 | 120.6 (4) | Cl1—Ti2—C21—C20 | −90.4 (4) |
C8—Ti1—C3—C7 | −126.4 (4) | Cl1—Ti2—C21—C22 | 154.3 (4) |
C9—Ti1—C3—Si1 | −31.3 (2) | C13—Ti2—C21—C20 | −170.1 (4) |
C9—Ti1—C3—C4 | 91.0 (4) | C13—Ti2—C21—C22 | 74.6 (4) |
C9—Ti1—C3—C7 | −156.0 (4) | C14—Ti2—C21—C20 | 158.8 (4) |
C10—Ti1—C3—Si1 | −24.5 (3) | C14—Ti2—C21—C22 | 43.5 (4) |
C10—Ti1—C3—C4 | 97.8 (4) | C19—Ti2—C21—C20 | 37.5 (4) |
C10—Ti1—C3—C7 | −149.2 (4) | C19—Ti2—C21—C22 | −77.8 (4) |
C11—Ti1—C3—Si1 | 14.5 (3) | C20—Ti2—C21—C22 | −115.3 (6) |
C11—Ti1—C3—C4 | 136.8 (4) | C22—Ti2—C21—C20 | 115.3 (6) |
C11—Ti1—C3—C7 | −110.2 (4) | C23—Ti2—C21—C20 | 78.8 (4) |
C12—Ti1—C3—Si1 | 25.2 (3) | C23—Ti2—C21—C22 | −36.5 (4) |
C12—Ti1—C3—C4 | 147.5 (4) | C24—Ti2—C21—C20 | 19.0 (5) |
C12—Ti1—C3—C7 | −99.5 (4) | C24—Ti2—C21—C22 | −96.3 (4) |
C13—Ti1—C3—Si1 | 111.5 (3) | C25—Ti2—C21—C20 | 55.0 (6) |
C13—Ti1—C3—C4 | −126.3 (4) | C25—Ti2—C21—C22 | −60.3 (6) |
C13—Ti1—C3—C7 | −13.2 (4) | C27—Ti2—C21—C20 | −54.4 (6) |
Cl1—Ti1—C4—C3 | 175.9 (3) | C27—Ti2—C21—C22 | −169.7 (4) |
Cl1—Ti1—C4—C5 | 59.5 (4) | C28—Ti2—C21—C20 | −21.5 (5) |
C3—Ti1—C4—C5 | −116.4 (6) | C28—Ti2—C21—C22 | −136.8 (4) |
C5—Ti1—C4—C3 | 116.4 (6) | Cl1—Ti2—C22—C21 | −26.3 (4) |
C6—Ti1—C4—C3 | 79.8 (4) | Cl1—Ti2—C22—C23 | −143.1 (3) |
C6—Ti1—C4—C5 | −36.7 (4) | C13—Ti2—C22—C21 | −106.5 (4) |
C7—Ti1—C4—C3 | 38.9 (4) | C13—Ti2—C22—C23 | 136.7 (4) |
C7—Ti1—C4—C5 | −77.5 (4) | C14—Ti2—C22—C21 | −136.9 (4) |
C8—Ti1—C4—C3 | −52.9 (4) | C14—Ti2—C22—C23 | 106.3 (4) |
C8—Ti1—C4—C5 | −169.3 (4) | C19—Ti2—C22—C21 | 79.1 (4) |
C9—Ti1—C4—C3 | −87.5 (4) | C19—Ti2—C22—C23 | −37.7 (4) |
C9—Ti1—C4—C5 | 156.1 (4) | C20—Ti2—C22—C21 | 37.8 (4) |
C10—Ti1—C4—C3 | −102.3 (4) | C20—Ti2—C22—C23 | −79.0 (4) |
C10—Ti1—C4—C5 | 141.3 (4) | C21—Ti2—C22—C23 | −116.8 (6) |
C11—Ti1—C4—C3 | −70.9 (5) | C23—Ti2—C22—C21 | 116.8 (6) |
C11—Ti1—C4—C5 | 172.7 (4) | C24—Ti2—C22—C21 | 102.5 (4) |
C12—Ti1—C4—C3 | −38.0 (4) | C24—Ti2—C22—C23 | −14.3 (5) |
C12—Ti1—C4—C5 | −154.4 (4) | C25—Ti2—C22—C21 | 141.6 (4) |
C13—Ti1—C4—C3 | 79.5 (5) | C25—Ti2—C22—C23 | 24.8 (5) |
C13—Ti1—C4—C5 | −36.9 (5) | C26—Ti2—C22—C21 | 172.0 (4) |
Cl1—Ti1—C5—C4 | −119.3 (4) | C26—Ti2—C22—C23 | 55.2 (6) |
Cl1—Ti1—C5—C6 | 124.0 (4) | C28—Ti2—C22—C21 | 69.9 (5) |
C3—Ti1—C5—C4 | 37.7 (4) | C28—Ti2—C22—C23 | −46.9 (5) |
C3—Ti1—C5—C6 | −79.1 (4) | Cl1—Ti2—C23—C19 | −65.1 (4) |
C4—Ti1—C5—C6 | −116.8 (6) | Cl1—Ti2—C23—C22 | 50.0 (4) |
C6—Ti1—C5—C4 | 116.8 (6) | C13—Ti2—C23—C19 | −162.3 (3) |
C7—Ti1—C5—C4 | 79.8 (4) | C13—Ti2—C23—C22 | −47.2 (4) |
C7—Ti1—C5—C6 | −37.0 (4) | C14—Ti2—C23—C19 | 174.5 (4) |
C8—Ti1—C5—C4 | 12.4 (5) | C14—Ti2—C23—C22 | −70.5 (4) |
C8—Ti1—C5—C6 | −104.4 (4) | C19—Ti2—C23—C22 | 115.1 (5) |
C9—Ti1—C5—C4 | −27.4 (5) | C20—Ti2—C23—C19 | −37.8 (4) |
C9—Ti1—C5—C6 | −144.2 (4) | C20—Ti2—C23—C22 | 77.3 (4) |
C10—Ti1—C5—C4 | −60.2 (5) | C21—Ti2—C23—C19 | −79.2 (4) |
C10—Ti1—C5—C6 | −177.0 (4) | C21—Ti2—C23—C22 | 35.9 (4) |
C12—Ti1—C5—C4 | 43.8 (6) | C22—Ti2—C23—C19 | −115.1 (5) |
C12—Ti1—C5—C6 | −73.0 (6) | C24—Ti2—C23—C19 | 52.3 (4) |
C13—Ti1—C5—C4 | 153.7 (4) | C24—Ti2—C23—C22 | 167.4 (4) |
C13—Ti1—C5—C6 | 37.0 (4) | C25—Ti2—C23—C19 | 86.3 (4) |
Cl1—Ti1—C6—C5 | −55.4 (4) | C25—Ti2—C23—C22 | −158.7 (4) |
Cl1—Ti1—C6—C7 | −171.5 (4) | C26—Ti2—C23—C19 | 98.5 (4) |
C3—Ti1—C6—C5 | 78.1 (4) | C26—Ti2—C23—C22 | −146.5 (4) |
C3—Ti1—C6—C7 | −37.9 (4) | C27—Ti2—C23—C19 | 65.3 (5) |
C4—Ti1—C6—C5 | 36.1 (4) | C27—Ti2—C23—C22 | −179.7 (4) |
C4—Ti1—C6—C7 | −79.9 (4) | C28—Ti2—C23—C19 | 35.5 (4) |
C5—Ti1—C6—C7 | −116.0 (6) | C28—Ti2—C23—C22 | 150.6 (4) |
C7—Ti1—C6—C5 | 116.0 (6) | Cl1—Ti2—C24—Si2 | 103.9 (2) |
C8—Ti1—C6—C5 | 96.6 (4) | Cl1—Ti2—C24—C25 | −132.2 (3) |
C8—Ti1—C6—C7 | −19.4 (5) | Cl1—Ti2—C24—C28 | −19.0 (4) |
C9—Ti1—C6—C5 | 57.1 (5) | C13—Ti2—C24—Si2 | −149.7 (3) |
C9—Ti1—C6—C7 | −58.9 (5) | C13—Ti2—C24—C25 | −25.9 (5) |
C11—Ti1—C6—C5 | 176.0 (5) | C13—Ti2—C24—C28 | 87.4 (5) |
C11—Ti1—C6—C7 | 59.9 (7) | C14—Ti2—C24—Si2 | −116.7 (3) |
C12—Ti1—C6—C5 | 138.9 (4) | C14—Ti2—C24—C25 | 7.1 (5) |
C12—Ti1—C6—C7 | 22.9 (5) | C14—Ti2—C24—C28 | 120.4 (4) |
C13—Ti1—C6—C5 | −144.1 (4) | C19—Ti2—C24—Si2 | −1.1 (2) |
C13—Ti1—C6—C7 | 99.9 (4) | C19—Ti2—C24—C25 | 122.7 (4) |
Cl1—Ti1—C7—C3 | −104.2 (3) | C19—Ti2—C24—C28 | −124.0 (4) |
Cl1—Ti1—C7—C6 | 11.4 (5) | C20—Ti2—C24—Si2 | 25.9 (3) |
C3—Ti1—C7—C6 | 115.6 (6) | C20—Ti2—C24—C25 | 149.7 (4) |
C4—Ti1—C7—C3 | −38.8 (3) | C20—Ti2—C24—C28 | −97.0 (4) |
C4—Ti1—C7—C6 | 76.7 (4) | C21—Ti2—C24—Si2 | 15.5 (3) |
C5—Ti1—C7—C3 | −78.8 (4) | C21—Ti2—C24—C25 | 139.3 (4) |
C5—Ti1—C7—C6 | 36.8 (4) | C21—Ti2—C24—C28 | −107.4 (4) |
C6—Ti1—C7—C3 | −115.6 (6) | C22—Ti2—C24—Si2 | −21.9 (3) |
C8—Ti1—C7—C3 | 48.2 (4) | C22—Ti2—C24—C25 | 101.9 (4) |
C8—Ti1—C7—C6 | 163.7 (4) | C22—Ti2—C24—C28 | −144.8 (4) |
C9—Ti1—C7—C3 | 27.6 (4) | C23—Ti2—C24—Si2 | −29.7 (3) |
C9—Ti1—C7—C6 | 143.2 (4) | C23—Ti2—C24—C25 | 94.2 (4) |
C10—Ti1—C7—C3 | 53.6 (6) | C23—Ti2—C24—C28 | −152.6 (4) |
C10—Ti1—C7—C6 | 169.2 (4) | C25—Ti2—C24—Si2 | −123.9 (5) |
C11—Ti1—C7—C3 | 94.9 (4) | C25—Ti2—C24—C28 | 113.3 (6) |
C11—Ti1—C7—C6 | −149.6 (4) | C26—Ti2—C24—Si2 | −160.5 (4) |
C12—Ti1—C7—C3 | 82.5 (4) | C26—Ti2—C24—C25 | −36.7 (4) |
C12—Ti1—C7—C6 | −162.0 (4) | C26—Ti2—C24—C28 | 76.6 (4) |
C13—Ti1—C7—C3 | 168.6 (4) | C27—Ti2—C24—Si2 | 160.1 (4) |
C13—Ti1—C7—C6 | −75.8 (4) | C27—Ti2—C24—C25 | −76.1 (4) |
Cl1—Ti1—C8—Si1 | 126.89 (19) | C27—Ti2—C24—C28 | 37.2 (4) |
Cl1—Ti1—C8—C9 | 5.4 (4) | C28—Ti2—C24—Si2 | 122.9 (5) |
Cl1—Ti1—C8—C12 | −107.5 (4) | C28—Ti2—C24—C25 | −113.3 (6) |
C3—Ti1—C8—Si1 | 1.7 (2) | Cl1—Ti2—C25—C24 | 66.6 (4) |
C3—Ti1—C8—C9 | −119.8 (4) | Cl1—Ti2—C25—C26 | −48.6 (5) |
C3—Ti1—C8—C12 | 127.4 (4) | C13—Ti2—C25—C24 | 163.5 (3) |
C4—Ti1—C8—Si1 | 31.1 (3) | C13—Ti2—C25—C26 | 48.3 (4) |
C4—Ti1—C8—C9 | −90.4 (3) | C14—Ti2—C25—C24 | −174.0 (4) |
C4—Ti1—C8—C12 | 156.8 (4) | C14—Ti2—C25—C26 | 70.9 (4) |
C5—Ti1—C8—Si1 | 24.4 (3) | C19—Ti2—C25—C24 | −50.7 (4) |
C5—Ti1—C8—C9 | −97.1 (4) | C19—Ti2—C25—C26 | −165.9 (4) |
C5—Ti1—C8—C12 | 150.1 (4) | C20—Ti2—C25—C24 | −34.5 (4) |
C6—Ti1—C8—Si1 | −15.0 (4) | C20—Ti2—C25—C26 | −149.7 (4) |
C6—Ti1—C8—C9 | −136.6 (3) | C21—Ti2—C25—C24 | −65.1 (5) |
C6—Ti1—C8—C12 | 110.6 (4) | C21—Ti2—C25—C26 | 179.7 (4) |
C7—Ti1—C8—Si1 | −25.7 (3) | C22—Ti2—C25—C24 | −97.6 (4) |
C7—Ti1—C8—C9 | −147.2 (4) | C22—Ti2—C25—C26 | 147.2 (4) |
C7—Ti1—C8—C12 | 100.0 (4) | C23—Ti2—C25—C24 | −84.4 (4) |
C9—Ti1—C8—Si1 | 121.5 (4) | C23—Ti2—C25—C26 | 160.4 (4) |
C9—Ti1—C8—C12 | −112.8 (5) | C24—Ti2—C25—C26 | −115.2 (6) |
C10—Ti1—C8—Si1 | 157.9 (3) | C26—Ti2—C25—C24 | 115.2 (6) |
C10—Ti1—C8—C9 | 36.4 (3) | C27—Ti2—C25—C24 | 79.6 (4) |
C10—Ti1—C8—C12 | −76.4 (4) | C27—Ti2—C25—C26 | −35.6 (4) |
C11—Ti1—C8—Si1 | −161.9 (4) | C28—Ti2—C25—C24 | 38.7 (4) |
C11—Ti1—C8—C9 | 76.5 (4) | C28—Ti2—C25—C26 | −76.6 (4) |
C11—Ti1—C8—C12 | −36.3 (4) | Cl1—Ti2—C26—C25 | 144.4 (4) |
C12—Ti1—C8—Si1 | −125.7 (5) | Cl1—Ti2—C26—C27 | 27.2 (4) |
C12—Ti1—C8—C9 | 112.8 (5) | C13—Ti2—C26—C25 | −135.5 (4) |
C13—Ti1—C8—Si1 | −111.7 (3) | C13—Ti2—C26—C27 | 107.3 (4) |
C13—Ti1—C8—C9 | 126.8 (3) | C14—Ti2—C26—C25 | −105.3 (4) |
C13—Ti1—C8—C12 | 14.0 (4) | C14—Ti2—C26—C27 | 137.5 (4) |
Cl1—Ti1—C9—C8 | −176.0 (3) | C19—Ti2—C26—C25 | 16.2 (5) |
Cl1—Ti1—C9—C10 | −60.1 (4) | C19—Ti2—C26—C27 | −101.0 (4) |
C3—Ti1—C9—C8 | 53.5 (3) | C20—Ti2—C26—C25 | 48.5 (6) |
C3—Ti1—C9—C10 | 169.3 (4) | C20—Ti2—C26—C27 | −68.7 (5) |
C4—Ti1—C9—C8 | 88.3 (3) | C22—Ti2—C26—C25 | −54.0 (6) |
C4—Ti1—C9—C10 | −155.9 (4) | C22—Ti2—C26—C27 | −171.2 (4) |
C5—Ti1—C9—C8 | 102.8 (4) | C23—Ti2—C26—C25 | −22.8 (5) |
C5—Ti1—C9—C10 | −141.3 (4) | C23—Ti2—C26—C27 | −140.0 (4) |
C6—Ti1—C9—C8 | 71.0 (5) | C24—Ti2—C26—C25 | 37.9 (4) |
C6—Ti1—C9—C10 | −173.2 (4) | C24—Ti2—C26—C27 | −79.3 (4) |
C7—Ti1—C9—C8 | 38.1 (4) | C25—Ti2—C26—C27 | −117.2 (6) |
C7—Ti1—C9—C10 | 154.0 (4) | C27—Ti2—C26—C25 | 117.2 (6) |
C8—Ti1—C9—C10 | 115.8 (5) | C28—Ti2—C26—C25 | 79.9 (4) |
C10—Ti1—C9—C8 | −115.8 (5) | C28—Ti2—C26—C27 | −37.3 (4) |
C11—Ti1—C9—C8 | −79.5 (4) | Cl1—Ti2—C27—C26 | −153.5 (4) |
C11—Ti1—C9—C10 | 36.3 (4) | Cl1—Ti2—C27—C28 | 90.5 (3) |
C12—Ti1—C9—C8 | −39.0 (3) | C13—Ti2—C27—C26 | −73.8 (4) |
C12—Ti1—C9—C10 | 76.8 (4) | C13—Ti2—C27—C28 | 170.2 (4) |
C13—Ti1—C9—C8 | −78.7 (4) | C14—Ti2—C27—C26 | −42.6 (4) |
C13—Ti1—C9—C10 | 37.1 (5) | C14—Ti2—C27—C28 | −158.6 (3) |
Cl1—Ti1—C10—C9 | 119.0 (4) | C19—Ti2—C27—C26 | 98.0 (4) |
Cl1—Ti1—C10—C11 | −124.1 (4) | C19—Ti2—C27—C28 | −18.1 (4) |
C3—Ti1—C10—C9 | −12.3 (4) | C20—Ti2—C27—C26 | 137.6 (4) |
C3—Ti1—C10—C11 | 104.6 (4) | C20—Ti2—C27—C28 | 21.5 (4) |
C4—Ti1—C10—C9 | 27.7 (4) | C21—Ti2—C27—C26 | 170.5 (4) |
C4—Ti1—C10—C11 | 144.5 (4) | C21—Ti2—C27—C28 | 54.5 (6) |
C5—Ti1—C10—C9 | 60.3 (5) | C23—Ti2—C27—C26 | 62.3 (6) |
C5—Ti1—C10—C11 | 177.2 (4) | C23—Ti2—C27—C28 | −53.7 (5) |
C7—Ti1—C10—C9 | −44.4 (6) | C24—Ti2—C27—C26 | 77.9 (4) |
C7—Ti1—C10—C11 | 72.5 (6) | C24—Ti2—C27—C28 | −38.1 (3) |
C8—Ti1—C10—C9 | −37.8 (3) | C25—Ti2—C27—C26 | 36.3 (4) |
C8—Ti1—C10—C11 | 79.1 (4) | C25—Ti2—C27—C28 | −79.7 (4) |
C9—Ti1—C10—C11 | 116.9 (5) | C26—Ti2—C27—C28 | −116.0 (5) |
C11—Ti1—C10—C9 | −116.9 (5) | C28—Ti2—C27—C26 | 116.0 (5) |
C12—Ti1—C10—C9 | −79.9 (4) | Cl1—Ti2—C28—C24 | 162.3 (4) |
C12—Ti1—C10—C11 | 37.0 (4) | Cl1—Ti2—C28—C27 | −82.9 (3) |
C13—Ti1—C10—C9 | −153.7 (4) | C13—Ti2—C28—C24 | −127.4 (4) |
C13—Ti1—C10—C11 | −36.8 (4) | C13—Ti2—C28—C27 | −12.7 (5) |
Cl1—Ti1—C11—C10 | 55.7 (4) | C14—Ti2—C28—C24 | −85.6 (5) |
Cl1—Ti1—C11—C12 | 171.5 (3) | C14—Ti2—C28—C27 | 29.1 (5) |
C3—Ti1—C11—C10 | −96.2 (4) | C19—Ti2—C28—C24 | 49.7 (4) |
C3—Ti1—C11—C12 | 19.7 (4) | C19—Ti2—C28—C27 | 164.4 (4) |
C4—Ti1—C11—C10 | −56.6 (6) | C20—Ti2—C28—C24 | 83.0 (4) |
C4—Ti1—C11—C12 | 59.3 (5) | C20—Ti2—C28—C27 | −162.3 (4) |
C6—Ti1—C11—C10 | −175.9 (5) | C21—Ti2—C28—C24 | 94.8 (4) |
C6—Ti1—C11—C12 | −60.0 (6) | C21—Ti2—C28—C27 | −150.5 (4) |
C7—Ti1—C11—C10 | −138.6 (4) | C22—Ti2—C28—C24 | 57.2 (6) |
C7—Ti1—C11—C12 | −22.7 (4) | C22—Ti2—C28—C27 | 172.0 (4) |
C8—Ti1—C11—C10 | −78.2 (4) | C23—Ti2—C28—C24 | 30.9 (5) |
C8—Ti1—C11—C12 | 37.6 (3) | C23—Ti2—C28—C27 | 145.6 (4) |
C9—Ti1—C11—C10 | −36.4 (3) | C24—Ti2—C28—C27 | 114.7 (6) |
C9—Ti1—C11—C12 | 79.5 (4) | C25—Ti2—C28—C24 | −38.4 (4) |
C10—Ti1—C11—C12 | 115.9 (5) | C25—Ti2—C28—C27 | 76.4 (4) |
C12—Ti1—C11—C10 | −115.9 (5) | C26—Ti2—C28—C24 | −78.7 (4) |
C13—Ti1—C11—C10 | 144.2 (4) | C26—Ti2—C28—C27 | 36.0 (4) |
C13—Ti1—C11—C12 | −99.9 (4) | C27—Ti2—C28—C24 | −114.7 (6) |
Cl1—Ti1—C12—C8 | 104.9 (4) | C8—Si1—C3—Ti1 | 2.0 (3) |
Cl1—Ti1—C12—C11 | −11.3 (4) | C3—Si1—C8—C9 | 73.7 (5) |
C3—Ti1—C12—C8 | −47.3 (4) | C3—Si1—C8—C12 | −77.4 (5) |
C3—Ti1—C12—C11 | −163.5 (4) | C1—Si1—C3—C7 | −168.6 (5) |
C4—Ti1—C12—C8 | −26.8 (4) | C2—Si1—C3—Ti1 | −114.8 (3) |
C4—Ti1—C12—C11 | −143.0 (3) | C2—Si1—C3—C4 | 169.3 (5) |
C5—Ti1—C12—C8 | −52.5 (6) | C2—Si1—C3—C7 | −40.1 (6) |
C5—Ti1—C12—C11 | −168.6 (4) | C8—Si1—C3—C4 | −73.8 (5) |
C6—Ti1—C12—C8 | −94.4 (4) | C8—Si1—C3—C7 | 76.8 (6) |
C6—Ti1—C12—C11 | 149.5 (4) | C1—Si1—C8—Ti1 | −117.5 (3) |
C7—Ti1—C12—C8 | −81.8 (4) | C1—Si1—C8—C9 | −41.8 (6) |
C7—Ti1—C12—C11 | 162.0 (4) | C1—Si1—C8—C12 | 167.1 (5) |
C8—Ti1—C12—C11 | −116.2 (5) | C2—Si1—C8—Ti1 | 113.3 (3) |
C9—Ti1—C12—C8 | 38.9 (3) | C2—Si1—C8—C9 | −171.0 (5) |
C9—Ti1—C12—C11 | −77.3 (4) | C2—Si1—C8—C12 | 37.9 (6) |
C10—Ti1—C12—C8 | 79.4 (4) | C3—Si1—C8—Ti1 | −2.0 (3) |
C10—Ti1—C12—C11 | −36.8 (3) | C1—Si1—C3—Ti1 | 116.7 (3) |
C11—Ti1—C12—C8 | 116.2 (5) | C1—Si1—C3—C4 | 40.9 (6) |
C13—Ti1—C12—C8 | −167.9 (4) | C24—Si2—C19—Ti2 | −1.3 (3) |
C13—Ti1—C12—C11 | 75.9 (4) | C24—Si2—C19—C20 | −77.4 (6) |
Cl1—Ti1—C13—Ti2 | 0.00 (19) | C24—Si2—C19—C23 | 75.8 (5) |
C3—Ti1—C13—Ti2 | 139.3 (2) | C29—Si2—C19—Ti2 | 113.9 (4) |
C4—Ti1—C13—Ti2 | 98.7 (3) | C19—Si2—C24—C25 | −75.3 (5) |
C5—Ti1—C13—Ti2 | 78.7 (3) | C29—Si2—C19—C20 | 37.9 (7) |
C6—Ti1—C13—Ti2 | 98.5 (3) | C29—Si2—C19—C23 | −169.0 (6) |
C7—Ti1—C13—Ti2 | 131.8 (3) | C30—Si2—C19—Ti2 | −117.8 (4) |
C8—Ti1—C13—Ti2 | −140.1 (2) | C30—Si2—C19—C20 | 166.1 (6) |
C9—Ti1—C13—Ti2 | −99.9 (3) | C30—Si2—C19—C23 | −40.7 (6) |
C10—Ti1—C13—Ti2 | −79.6 (3) | C19—Si2—C24—Ti2 | 1.3 (3) |
C11—Ti1—C13—Ti2 | −99.2 (3) | C30—Si2—C24—C28 | −169.6 (5) |
C12—Ti1—C13—Ti2 | −132.2 (3) | C19—Si2—C24—C28 | 76.3 (5) |
C13—Ti2—Cl1—Ti1 | −0.02 (16) | C29—Si2—C24—Ti2 | −114.9 (3) |
C14—Ti2—Cl1—Ti1 | 0.30 (17) | C29—Si2—C24—C25 | 168.5 (5) |
C19—Ti2—Cl1—Ti1 | −143.43 (16) | C29—Si2—C24—C28 | −40.0 (6) |
C20—Ti2—Cl1—Ti1 | −133.12 (18) | C30—Si2—C24—Ti2 | 115.4 (3) |
C21—Ti2—Cl1—Ti1 | −98.79 (17) | C30—Si2—C24—C25 | 38.8 (6) |
C22—Ti2—Cl1—Ti1 | −84.69 (17) | Ti1—C3—C4—C5 | 67.5 (5) |
C23—Ti2—Cl1—Ti1 | −110.6 (2) | Si1—C3—C4—Ti1 | 90.9 (4) |
C24—Ti2—Cl1—Ti1 | 143.52 (18) | Si1—C3—C7—C6 | −157.4 (5) |
C25—Ti2—Cl1—Ti1 | 109.6 (2) | C4—C3—C7—Ti1 | 65.4 (4) |
C26—Ti2—Cl1—Ti1 | 84.29 (17) | C4—C3—C7—C6 | −2.4 (7) |
C27—Ti2—Cl1—Ti1 | 98.76 (19) | C7—C3—C4—C5 | 2.8 (7) |
C28—Ti2—Cl1—Ti1 | 132.8 (2) | Si1—C3—C4—C5 | 158.4 (5) |
Cl1—Ti2—C13—Ti1 | 0.00 (18) | C7—C3—C4—Ti1 | −64.8 (4) |
Cl1—Ti2—C13—C14 | 179.4 (4) | Ti1—C3—C7—C6 | −67.8 (5) |
C14—Ti2—C13—Ti1 | −179.4 (5) | Si1—C3—C7—Ti1 | −89.5 (5) |
C19—Ti2—C13—Ti1 | 115.0 (3) | Ti1—C4—C5—C6 | 63.3 (5) |
C19—Ti2—C13—C14 | −65.5 (5) | C3—C4—C5—C6 | −2.1 (8) |
C20—Ti2—C13—Ti1 | 69.1 (3) | C3—C4—C5—Ti1 | −65.4 (4) |
C20—Ti2—C13—C14 | −111.5 (4) | Ti1—C5—C6—C7 | 62.9 (5) |
C21—Ti2—C13—Ti1 | 76.2 (3) | C4—C5—C6—C7 | 0.5 (8) |
C21—Ti2—C13—C14 | −104.3 (4) | C4—C5—C6—Ti1 | −62.4 (5) |
C22—Ti2—C13—Ti1 | 107.5 (3) | C5—C6—C7—Ti1 | −65.2 (5) |
C22—Ti2—C13—C14 | −73.1 (4) | Ti1—C6—C7—C3 | 66.4 (4) |
C23—Ti2—C13—Ti1 | 131.1 (2) | C5—C6—C7—C3 | 1.2 (8) |
C23—Ti2—C13—C14 | −49.5 (4) | Si1—C8—C9—C10 | −158.7 (4) |
C24—Ti2—C13—Ti1 | −116.7 (3) | C12—C8—C9—Ti1 | 65.5 (4) |
C24—Ti2—C13—C14 | 62.8 (5) | Ti1—C8—C12—C11 | 67.2 (4) |
C25—Ti2—C13—Ti1 | −131.7 (2) | Si1—C8—C12—Ti1 | 89.5 (4) |
C25—Ti2—C13—C14 | 47.7 (4) | C12—C8—C9—C10 | −2.3 (6) |
C26—Ti2—C13—Ti1 | −107.7 (3) | C9—C8—C12—Ti1 | −65.7 (4) |
C26—Ti2—C13—C14 | 71.7 (4) | C9—C8—C12—C11 | 1.5 (6) |
C27—Ti2—C13—Ti1 | −76.7 (3) | Si1—C8—C9—Ti1 | −91.0 (4) |
C27—Ti2—C13—C14 | 102.7 (4) | Si1—C8—C12—C11 | 156.7 (5) |
C28—Ti2—C13—Ti1 | −69.7 (3) | Ti1—C8—C9—C10 | −67.8 (4) |
C28—Ti2—C13—C14 | 109.7 (4) | Ti1—C9—C10—C11 | −63.5 (4) |
Cl1—Ti2—C14—C13 | −0.6 (4) | C8—C9—C10—Ti1 | 65.7 (4) |
Cl1—Ti2—C14—C15 | 178.9 (6) | C8—C9—C10—C11 | 2.2 (7) |
C13—Ti2—C14—C15 | 179.5 (9) | Ti1—C10—C11—C12 | −63.5 (4) |
C19—Ti2—C14—C13 | 138.5 (4) | C9—C10—C11—C12 | −1.3 (7) |
C19—Ti2—C14—C15 | −42.0 (8) | C9—C10—C11—Ti1 | 62.2 (4) |
C20—Ti2—C14—C13 | 97.3 (4) | C10—C11—C12—Ti1 | 65.4 (4) |
C20—Ti2—C14—C15 | −83.2 (8) | C10—C11—C12—C8 | −0.2 (7) |
C21—Ti2—C14—C13 | 81.1 (4) | Ti1—C11—C12—C8 | −65.6 (4) |
C21—Ti2—C14—C15 | −99.4 (7) | Ti2—C13—C14—C15 | −179.5 (9) |
C22—Ti2—C14—C13 | 103.3 (4) | C13—C14—C15—C17A | −151.8 (10) |
C22—Ti2—C14—C15 | −77.3 (7) | C13—C14—C15—C18A | 88.8 (11) |
C23—Ti2—C14—C13 | 134.8 (4) | C13—C14—C15—C16A | −30.0 (12) |
C23—Ti2—C14—C15 | −45.7 (7) | Ti2—C14—C15—C18A | −90.5 (10) |
C24—Ti2—C14—C13 | −140.0 (4) | Ti2—C14—C15—C17A | 29.0 (11) |
C24—Ti2—C14—C15 | 39.5 (8) | Ti2—C14—C15—C16A | 150.7 (8) |
C25—Ti2—C14—C13 | −136.0 (4) | Ti2—C19—C20—C21 | 68.2 (5) |
C25—Ti2—C14—C15 | 43.5 (7) | Si2—C19—C20—Ti2 | 90.7 (5) |
C26—Ti2—C14—C13 | −104.3 (4) | Si2—C19—C20—C21 | 159.0 (5) |
C26—Ti2—C14—C15 | 75.2 (7) | C23—C19—C20—Ti2 | −66.1 (4) |
C27—Ti2—C14—C13 | −82.6 (4) | C23—C19—C20—C21 | 2.2 (7) |
C27—Ti2—C14—C15 | 96.9 (7) | Ti2—C19—C23—C22 | −68.2 (5) |
C28—Ti2—C14—C13 | −98.5 (4) | Si2—C19—C23—Ti2 | −91.9 (4) |
C28—Ti2—C14—C15 | 81.0 (8) | C20—C19—C23—Ti2 | 65.5 (4) |
Cl1—Ti2—C19—Si2 | −105.4 (2) | C20—C19—C23—C22 | −2.7 (7) |
Cl1—Ti2—C19—C20 | 18.6 (4) | Si2—C19—C23—C22 | −160.0 (5) |
Cl1—Ti2—C19—C23 | 132.7 (3) | C19—C20—C21—C22 | −0.9 (8) |
C13—Ti2—C19—Si2 | 149.6 (3) | Ti2—C20—C21—C22 | 66.1 (5) |
C13—Ti2—C19—C20 | −86.5 (5) | C19—C20—C21—Ti2 | −67.0 (5) |
C13—Ti2—C19—C23 | 27.7 (5) | C20—C21—C22—Ti2 | −63.4 (5) |
C14—Ti2—C19—Si2 | 115.2 (3) | Ti2—C21—C22—C23 | 62.6 (5) |
C14—Ti2—C19—C20 | −120.8 (4) | C20—C21—C22—C23 | −0.8 (8) |
C14—Ti2—C19—C23 | −6.6 (4) | C21—C22—C23—Ti2 | −63.8 (5) |
C20—Ti2—C19—Si2 | −124.0 (5) | Ti2—C22—C23—C19 | 66.0 (4) |
C20—Ti2—C19—C23 | 114.2 (5) | C21—C22—C23—C19 | 2.2 (8) |
C21—Ti2—C19—Si2 | −161.6 (4) | Si2—C24—C25—C26 | 159.1 (5) |
C21—Ti2—C19—C20 | −37.6 (4) | Ti2—C24—C25—C26 | 67.9 (4) |
C21—Ti2—C19—C23 | 76.6 (4) | Si2—C24—C25—Ti2 | 91.2 (4) |
C22—Ti2—C19—Si2 | 158.8 (3) | C25—C24—C28—C27 | −3.2 (7) |
C22—Ti2—C19—C20 | −77.3 (4) | Ti2—C24—C28—C27 | −68.9 (4) |
C22—Ti2—C19—C23 | 36.9 (4) | C28—C24—C25—Ti2 | −64.8 (4) |
C23—Ti2—C19—Si2 | 121.8 (5) | C28—C24—C25—C26 | 3.1 (7) |
C23—Ti2—C19—C20 | −114.2 (5) | C25—C24—C28—Ti2 | 65.7 (4) |
C24—Ti2—C19—Si2 | 1.1 (2) | Si2—C24—C28—Ti2 | −90.6 (4) |
C24—Ti2—C19—C20 | 125.1 (4) | Si2—C24—C28—C27 | −159.4 (5) |
C24—Ti2—C19—C23 | −120.7 (4) | C24—C25—C26—Ti2 | −66.1 (4) |
C25—Ti2—C19—Si2 | 29.2 (3) | Ti2—C25—C26—C27 | 64.1 (4) |
C25—Ti2—C19—C20 | 153.2 (4) | C24—C25—C26—C27 | −1.9 (7) |
C25—Ti2—C19—C23 | −92.6 (4) | Ti2—C26—C27—C28 | 62.7 (4) |
C26—Ti2—C19—Si2 | 20.5 (3) | C25—C26—C27—Ti2 | −62.8 (4) |
C26—Ti2—C19—C20 | 144.5 (4) | C25—C26—C27—C28 | −0.1 (7) |
C26—Ti2—C19—C23 | −101.3 (4) | Ti2—C27—C28—C24 | 67.4 (4) |
C27—Ti2—C19—Si2 | −16.9 (3) | C26—C27—C28—Ti2 | −65.4 (4) |
C27—Ti2—C19—C20 | 107.1 (4) | C26—C27—C28—C24 | 2.1 (7) |
C27—Ti2—C19—C23 | −138.7 (4) | | |
Symmetry codes: (i) −x, −y+2, −z+1; (ii) −x+1, −y+2, −z; (iii) −x+1, −y+1, −z; (iv) −x+1, −y+2, −z+1; (v) x+1, y, z; (vi) x, y+1, z; (vii) x−1, y, z; (viii) x, y−1, z. |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
C1—H1C···Cl1i | 0.96 | 2.79 | 3.735 (7) | 167 |
Symmetry code: (i) −x, −y+2, −z+1. |