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The title compound, [Ti2Cl(C6H9)(C12H14Si)2], displays an asymmetric μ22 C[triple bond]C bridge between the two metal ions. The C—C[triple bond]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

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805017903/lh6444sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536805017903/lh6444Isup2.hkl
Contains datablock I

CCDC reference: 277721

Key indicators

  • Single-crystal X-ray study
  • T = 298 K
  • Mean [sigma](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

Computing details top

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.

2-chloro)(µ2-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 = 584.97F(000) = 612
Triclinic, P1Least Squares Treatment of 25 SET4 setting angles.
Hall symbol: -P 1Dx = 1.337 Mg m3
a = 9.381 (4) ÅMo Kα radiation, λ = 0.71073 Å
b = 11.552 (3) ÅCell parameters from 25 reflections
c = 14.120 (4) Åθ = 9.9–14.0°
α = 80.18 (2)°µ = 0.74 mm1
β = 83.89 (3)°T = 298 K
γ = 74.93 (3)°Block, black
V = 1452.8 (9) Å30.3 × 0.3 × 0.2 mm
Data collection top
Enraf-Nonius CAD4 Turbo
diffractometer
Rint = 0.081
Radiation source: Rotating anodeθmax = 25.3°, θmin = 1.5°
Graphite monochromatorh = 1111
ω/2θ scans with Δω=1.35+0.35 tan θ degk = 1313
6538 measured reflectionsl = 1616
5250 independent reflections3 standard reflections every 60 min
3134 reflections with I > 2σ(I) intensity decay: 1%
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.070Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.183H-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 parametersΔρmax = 0.81 e Å3
0 restraintsΔρmin = 0.77 e Å3
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
xyzUiso*/UeqOcc. (<1)
Ti10.19468 (11)0.95342 (9)0.32188 (7)0.0367 (3)
Ti20.08494 (11)0.72927 (9)0.24673 (7)0.0361 (3)
Cl10.00670 (18)0.84882 (15)0.38838 (12)0.0570 (6)
Si10.35069 (19)1.16414 (16)0.35560 (12)0.0434 (5)
Si20.0938 (2)0.52214 (16)0.23425 (14)0.0515 (6)
C10.2973 (7)1.2544 (5)0.4555 (4)0.050 (2)
C20.5061 (8)1.2043 (7)0.2755 (5)0.075 (3)
C30.3850 (6)0.9989 (5)0.3973 (4)0.0434 (17)
C40.2960 (7)0.9457 (6)0.4712 (4)0.048 (2)
C50.3128 (7)0.8258 (6)0.4629 (5)0.053 (2)
C60.4090 (7)0.8004 (6)0.3813 (5)0.052 (2)
C70.4513 (6)0.9059 (6)0.3408 (5)0.049 (2)
C80.1888 (6)1.1644 (5)0.2911 (4)0.0435 (17)
C90.0511 (6)1.1529 (5)0.3392 (4)0.0447 (17)
C100.0282 (7)1.1128 (5)0.2791 (5)0.052 (2)
C110.0597 (8)1.0938 (5)0.1938 (4)0.051 (2)
C120.1912 (7)1.1247 (5)0.2008 (4)0.0469 (19)
C130.2461 (6)0.8515 (5)0.2124 (4)0.0357 (17)
C140.2707 (6)0.7858 (5)0.1498 (4)0.0420 (17)
C150.3737 (7)0.7609 (6)0.0589 (4)0.052 (2)
C16A0.4128 (18)0.8764 (12)0.0136 (9)0.097 (6)0.715 (8)
C17A0.3038 (16)0.7129 (16)0.0137 (8)0.098 (6)0.715 (8)
C18A0.5134 (14)0.6655 (15)0.0904 (9)0.105 (5)0.715 (8)
C190.1231 (6)0.6853 (5)0.1863 (4)0.045 (2)
C200.1786 (7)0.7798 (6)0.2397 (5)0.052 (2)
C210.1363 (7)0.8840 (6)0.1907 (5)0.054 (2)
C220.0528 (7)0.8525 (6)0.1078 (4)0.051 (2)
C230.0415 (7)0.7300 (6)0.1058 (4)0.048 (2)
C240.0766 (7)0.5195 (5)0.2891 (4)0.045 (2)
C250.2147 (7)0.5209 (5)0.2384 (5)0.050 (2)
C260.3002 (7)0.5609 (5)0.2943 (5)0.054 (2)
C270.2187 (8)0.5888 (5)0.3779 (5)0.053 (2)
C280.0799 (8)0.5664 (5)0.3749 (4)0.0501 (19)
C290.2417 (9)0.4879 (8)0.3266 (7)0.091 (3)
C300.0626 (10)0.4301 (6)0.1354 (6)0.082 (3)
C17B0.521 (4)0.785 (4)0.074 (2)0.098 (6)0.285 (8)
C18B0.302 (4)0.849 (4)0.020 (2)0.105 (5)0.285 (8)
C16B0.403 (5)0.635 (3)0.040 (3)0.097 (6)0.285 (8)
H1C0.208301.238800.489200.0750*
H2B0.520001.164200.219800.1140*
H2C0.594901.179100.309600.1140*
H2A0.483801.290500.255600.1140*
H1A0.280701.339000.430100.0750*
H1B0.375201.232300.499000.0750*
H70.513400.914200.285500.0580*
H90.019001.169600.401200.0540*
H100.122801.100700.293100.0620*
H110.034401.065500.141600.0610*
H120.268901.120200.153800.0560*
H16A0.477100.862600.043200.1450*0.715 (8)
H16B0.462200.903700.058400.1450*0.715 (8)
H16C0.324300.936900.003700.1450*0.715 (8)
H17A0.280600.638000.015400.1470*0.715 (8)
H17B0.371900.699200.068800.1470*0.715 (8)
H17C0.214900.771100.033600.1470*0.715 (8)
H18A0.487800.591500.119200.1580*0.715 (8)
H18B0.558900.694200.136600.1580*0.715 (8)
H18C0.581300.651100.035400.1580*0.715 (8)
H200.234400.775100.298100.0630*
H210.160200.959900.210400.0650*
H220.011500.904100.061600.0610*
H230.011300.685500.058800.0570*
H250.243600.498600.177600.0600*
H260.396700.567700.277900.0640*
H270.250300.617400.427700.0630*
H280.002300.580200.421600.0600*
H29A0.220600.402200.348700.1360*
H29B0.335700.513800.298500.1360*
H29C0.244700.530100.380100.1360*
H30A0.048000.346000.162000.1220*
H30B0.023600.442000.095600.1220*
H30C0.147100.454600.097200.1220*
H40.235600.986000.518100.0580*
H50.268500.771200.503800.0630*
H60.438900.726300.358500.0620*
H16D0.311300.618200.028000.1450*0.285 (8)
H16E0.444500.579900.094400.1450*0.285 (8)
H16F0.470400.624100.015900.1450*0.285 (8)
H17D0.505000.866800.086500.1470*0.285 (8)
H17E0.585500.775000.016500.1470*0.285 (8)
H17F0.565800.729600.127100.1470*0.285 (8)
H18D0.285400.929500.003800.1580*0.285 (8)
H18E0.209700.833500.029000.1580*0.285 (8)
H18F0.365300.842600.077700.1580*0.285 (8)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ti10.0334 (6)0.0363 (6)0.0312 (5)0.0089 (4)0.0031 (4)0.0064 (4)
Ti20.0338 (6)0.0332 (6)0.0331 (5)0.0067 (4)0.0051 (4)0.0041 (4)
Cl10.0542 (10)0.0592 (10)0.0484 (9)0.0019 (8)0.0040 (8)0.0117 (8)
Si10.0397 (9)0.0448 (10)0.0406 (9)0.0010 (8)0.0017 (7)0.0072 (7)
Si20.0496 (11)0.0434 (10)0.0585 (11)0.0072 (8)0.0106 (9)0.0014 (9)
C10.050 (4)0.044 (4)0.051 (4)0.003 (3)0.007 (3)0.005 (3)
C20.065 (5)0.086 (6)0.066 (5)0.013 (4)0.016 (4)0.007 (4)
C30.039 (3)0.041 (3)0.043 (3)0.008 (3)0.011 (3)0.009 (3)
C40.048 (4)0.049 (4)0.041 (3)0.002 (3)0.009 (3)0.009 (3)
C50.058 (4)0.044 (4)0.050 (4)0.000 (3)0.021 (3)0.001 (3)
C60.046 (4)0.042 (4)0.062 (4)0.012 (3)0.024 (3)0.014 (3)
C70.032 (3)0.058 (4)0.048 (4)0.012 (3)0.008 (3)0.018 (3)
C80.042 (3)0.037 (3)0.044 (3)0.005 (3)0.005 (3)0.007 (3)
C90.041 (3)0.038 (3)0.045 (3)0.011 (3)0.005 (3)0.009 (3)
C100.038 (3)0.040 (4)0.068 (4)0.016 (3)0.019 (3)0.011 (3)
C110.066 (5)0.037 (3)0.045 (4)0.005 (3)0.025 (3)0.004 (3)
C120.054 (4)0.038 (3)0.040 (3)0.001 (3)0.005 (3)0.000 (3)
C130.033 (3)0.034 (3)0.033 (3)0.002 (2)0.006 (2)0.001 (2)
C140.040 (3)0.042 (3)0.033 (3)0.005 (3)0.004 (2)0.003 (3)
C150.051 (4)0.060 (4)0.041 (3)0.005 (3)0.009 (3)0.017 (3)
C16A0.118 (11)0.106 (10)0.077 (8)0.056 (9)0.057 (8)0.038 (7)
C17A0.096 (9)0.157 (13)0.056 (7)0.053 (9)0.039 (7)0.054 (8)
C18A0.066 (7)0.129 (12)0.084 (8)0.034 (8)0.022 (6)0.024 (8)
C190.031 (3)0.049 (4)0.050 (4)0.001 (3)0.007 (3)0.008 (3)
C200.036 (3)0.056 (4)0.058 (4)0.004 (3)0.008 (3)0.010 (3)
C210.040 (4)0.042 (4)0.070 (4)0.015 (3)0.023 (3)0.011 (3)
C220.055 (4)0.046 (4)0.045 (4)0.003 (3)0.026 (3)0.011 (3)
C230.052 (4)0.047 (4)0.036 (3)0.005 (3)0.011 (3)0.004 (3)
C240.046 (4)0.032 (3)0.049 (4)0.003 (3)0.007 (3)0.001 (3)
C250.056 (4)0.030 (3)0.052 (4)0.011 (3)0.007 (3)0.003 (3)
C260.038 (3)0.036 (3)0.078 (5)0.006 (3)0.018 (3)0.003 (3)
C270.069 (5)0.030 (3)0.053 (4)0.002 (3)0.030 (4)0.004 (3)
C280.061 (4)0.040 (3)0.039 (3)0.002 (3)0.002 (3)0.005 (3)
C290.059 (5)0.090 (6)0.109 (7)0.018 (5)0.006 (5)0.024 (5)
C300.116 (7)0.051 (4)0.077 (5)0.010 (5)0.030 (5)0.007 (4)
C17B0.096 (9)0.157 (13)0.056 (7)0.053 (9)0.039 (7)0.054 (8)
C18B0.066 (7)0.129 (12)0.084 (8)0.034 (8)0.022 (6)0.024 (8)
C16B0.118 (11)0.106 (10)0.077 (8)0.056 (9)0.057 (8)0.038 (7)
Geometric parameters (Å, º) top
Ti1—Cl12.413 (2)C19—C201.390 (9)
Ti1—C32.384 (6)C19—C231.402 (8)
Ti1—C42.382 (6)C20—C211.411 (10)
Ti1—C52.446 (7)C21—C221.385 (9)
Ti1—C62.424 (7)C22—C231.396 (10)
Ti1—C72.360 (6)C24—C251.414 (9)
Ti1—C82.389 (6)C24—C281.415 (8)
Ti1—C92.386 (6)C25—C261.390 (9)
Ti1—C102.452 (6)C26—C271.375 (10)
Ti1—C112.434 (6)C27—C281.398 (11)
Ti1—C122.380 (6)C1—H1A0.9600
Ti1—C132.043 (6)C1—H1B0.9600
Ti1—Cg12.081 (3)C1—H1C0.9600
Ti1—Cg22.091 (3)C2—H2A0.9600
Ti2—Cl12.559 (2)C2—H2B0.9600
Ti2—C132.288 (6)C2—H2C0.9600
Ti2—C142.262 (6)C4—H40.9300
Ti2—C192.411 (6)C5—H50.9300
Ti2—C202.397 (7)C6—H60.9300
Ti2—C212.463 (7)C7—H70.9300
Ti2—C222.485 (6)C9—H90.9300
Ti2—C232.420 (6)C10—H100.9300
Ti2—C242.415 (6)C11—H110.9300
Ti2—C252.415 (6)C12—H120.9300
Ti2—C262.472 (6)C16A—H16A0.9600
Ti2—C272.459 (7)C16A—H16B0.9600
Ti2—C282.384 (6)C16A—H16C0.9600
Ti2—Cg32.126 (3)C16B—H16F0.9600
Ti2—Cg42.118 (3)C16B—H16D0.9700
Ti2—Cg52.190 (5)C16B—H16E0.9600
Si1—C11.846 (6)C17A—H17B0.9600
Si1—C21.855 (8)C17A—H17A0.9600
Si1—C31.852 (6)C17A—H17C0.9600
Si1—C81.851 (6)C17B—H17F0.9500
Si2—C191.850 (6)C17B—H17D0.9600
Si2—C241.840 (7)C17B—H17E0.9600
Si2—C291.873 (10)C18A—H18B0.9600
Si2—C301.850 (8)C18A—H18A0.9600
C3—C41.423 (8)C18A—H18C0.9600
C3—C71.420 (9)C18B—H18D0.9600
C4—C51.377 (10)C18B—H18E0.9500
C5—C61.409 (10)C18B—H18F0.9600
C6—C71.391 (10)C20—H200.9300
C8—C91.421 (8)C21—H210.9300
C8—C121.423 (8)C22—H220.9300
C9—C101.391 (9)C23—H230.9300
C10—C111.401 (9)C25—H250.9300
C11—C121.388 (10)C26—H260.9300
C13—C141.227 (8)C27—H270.9300
C14—C151.543 (8)C28—H280.9300
C15—C16A1.496 (16)C29—H29B0.9600
C15—C17A1.521 (16)C29—H29C0.9600
C15—C18A1.528 (17)C29—H29A0.9600
C15—C16B1.47 (3)C30—H30C0.9600
C15—C17B1.52 (4)C30—H30A0.9600
C15—C18B1.47 (4)C30—H30B0.9600
Ti2···H263.0600C7···H1Biv2.9200
Ti2···H273.0500C8···H92.1000
Cl1···C43.562 (7)C8···H122.1000
Cl1···C53.094 (7)C9···H102.0800
Cl1···C93.586 (6)C10···H30Avi2.8800
Cl1···C103.126 (6)C10···H212.7500
Cl1···C133.169 (6)C10···H112.0900
Cl1···C203.183 (7)C10···H92.0700
Cl1···C213.144 (7)C11···H30Avi2.8000
Cl1···C273.160 (6)C11···H212.8500
Cl1···C283.189 (6)C11···H122.0700
Cl1···H52.9500C11···H102.0900
Cl1···H102.9900C12···H30Avi2.9400
Cl1···H203.0700C12···H112.0800
Cl1···H213.0200C13···H16B2.9100
Cl1···H273.0400C13···H17D2.8800
Cl1···H283.0700C13···H112.8400
Cl1···H1Ci2.7900C13···H62.8300
Cl1···H4i2.9200C13···H18D3.0400
Cl1···H9i2.9300C14···H222.9400
C3···C82.659 (8)C14···H262.8900
C3···C52.292 (9)C16A···H16Bii3.0500
C3···C62.293 (9)C16B···H16Fiii2.9800
C3···C93.287 (8)C16B···H252.8400
C3···C123.382 (8)C17A···H232.9000
C4···C93.318 (9)C18A···H262.9100
C4···Si12.896 (7)C18B···H222.9900
C4···C62.251 (9)C19···H232.0900
C4···Cl13.562 (7)C19···H17Fvii3.0100
C4···C83.300 (8)C19···H202.0700
C4···C72.257 (9)C20···H7vii2.9600
C5···C32.292 (9)C20···H212.1000
C5···Cl13.094 (7)C21···H202.0900
C5···C72.263 (10)C21···H112.9100
C5···C273.510 (9)C21···H222.0700
C6···C273.390 (10)C22···H18E2.9500
C6···C132.863 (9)C22···H112.9100
C6···Ti24.073 (7)C22···H17C3.0900
C6···C32.293 (9)C22···H212.0700
C6···C42.251 (9)C22···H232.0800
C7···C133.025 (9)C23···H222.0800
C7···C83.362 (9)C23···H17C3.0300
C7···C123.517 (9)C24···H282.1000
C7···C52.263 (10)C24···H1Aviii3.0500
C7···C42.257 (9)C24···H252.1000
C7···Si12.922 (7)C25···H16E2.9300
C8···C43.300 (8)C25···H262.0700
C8···C102.295 (9)C26···H18A2.9000
C8···C32.659 (8)C26···H62.8800
C8···C112.296 (9)C26···H16E3.0000
C8···C73.362 (9)C26···H252.0700
C9···C112.259 (8)C26···H272.0700
C9···C122.258 (8)C26···H1Aviii2.9600
C9···C43.318 (9)C27···H62.8800
C9···Si12.882 (6)C27···H262.0600
C9···C33.287 (8)C27···H1Aviii2.7800
C9···Cl13.586 (6)C27···H282.0800
C10···Cl13.126 (6)C28···H1Aviii2.8500
C10···C213.516 (9)C28···H272.0900
C10···C122.256 (9)H1A···C26vi2.9600
C10···C82.295 (9)H1A···C27vi2.7800
C11···Ti24.098 (6)H1A···C24vi3.0500
C11···C132.875 (8)H1A···C28vi2.8500
C11···C82.296 (9)H1B···C5iv2.9100
C11···C213.410 (10)H1B···C6iv2.6900
C11···C92.259 (8)H1B···C7iv2.9200
C12···C102.256 (9)H1C···Cl1i2.7900
C12···C92.258 (8)H2B···H18Fii2.1800
C12···C33.382 (8)H2B···H16Aii2.5600
C12···C133.041 (8)H2C···H10v2.5700
C12···C73.517 (9)H4···Cl1i2.9200
C12···Si12.935 (6)H5···H272.2800
C13···C62.863 (9)H6···C262.8800
C13···C112.875 (8)H6···H272.4600
C13···C152.607 (8)H6···C272.8800
C13···C273.549 (9)H6···H262.4500
C13···C123.041 (8)H7···C20v2.9600
C13···C263.283 (8)H7···H20v2.5000
C13···Cl13.169 (6)H9···Cl1i2.9300
C13···C213.549 (9)H10···H2Cvii2.5700
C13···C73.025 (9)H10···H212.2700
C13···C223.302 (9)H11···C222.9100
C14···C253.255 (8)H11···H212.4800
C14···Ti13.268 (6)H11···H222.4900
C14···C223.028 (9)H11···C212.9100
C14···C262.988 (9)H11···C132.8400
C14···C233.299 (9)H16A···H17B2.4400
C16A···C16Aii3.59 (2)H16A···H2Bii2.5600
C16B···C16Biii3.48 (5)H16A···H18C2.4900
C16B···C253.41 (4)H16B···C132.9100
C17A···C233.464 (16)H16B···C16Aii3.0500
C18A···C263.549 (15)H16B···H18B2.4600
C19···C212.278 (9)H16C···H17C2.5100
C19···C242.655 (8)H16D···H18E2.4500
C19···C253.329 (9)H16D···H252.4400
C19···C283.328 (9)H16E···H252.4300
C19···C222.274 (9)H16E···C252.9300
C20···C232.242 (9)H16E···C263.0000
C20···Cl13.183 (7)H16E···H262.5700
C20···Si22.887 (7)H16E···H17F2.4300
C20···C243.340 (9)H16F···C16Biii2.9800
C20···C222.254 (9)H16F···H17E2.4000
C20···C283.446 (9)H16F···H18F2.5000
C21···C103.516 (9)H17A···H18A2.4500
C21···C113.410 (10)H17A···H232.4700
C21···C133.549 (9)H17B···H16A2.4400
C21···C192.278 (9)H17B···H18C2.4700
C21···Cl13.144 (7)H17C···C223.0900
C21···C232.252 (9)H17C···C233.0300
C21···Ti14.092 (7)H17C···H16C2.5100
C22···C143.028 (9)H17C···H232.5200
C22···C202.254 (9)H17D···C132.8800
C22···C192.274 (9)H17D···H18D2.4200
C22···C133.302 (9)H17E···H16F2.4000
C23···C253.393 (9)H17E···H18F2.4600
C23···C17A3.464 (16)H17F···H16E2.4300
C23···Si22.869 (7)H17F···C19v3.0100
C23···C243.302 (8)H18A···C262.9000
C23···C143.299 (9)H18A···H17A2.4500
C23···C202.242 (9)H18A···H262.3100
C23···C212.252 (9)H18B···H16B2.4600
C24···C192.655 (8)H18C···H16A2.4900
C24···C233.302 (8)H18C···H17B2.4700
C24···C262.280 (10)H18D···C133.0400
C24···C272.290 (10)H18D···H17D2.4200
C24···C203.340 (9)H18E···C222.9500
C25···Si22.897 (7)H18E···H222.3500
C25···C143.255 (8)H18E···H16D2.4500
C25···C282.252 (9)H18F···H2Bii2.1800
C25···C193.329 (9)H18F···C2ii3.0000
C25···C233.393 (9)H18F···H16F2.5000
C25···C16B3.41 (4)H18F···H17E2.4600
C25···C272.248 (10)H20···H7vii2.5000
C26···C18A3.549 (15)H20···C7vii2.9900
C26···C242.280 (10)H21···H102.2700
C26···C133.283 (8)H21···C102.7500
C26···C142.988 (9)H21···C112.8500
C26···C282.242 (10)H21···H112.4800
C27···C252.248 (10)H22···H18E2.3500
C27···C63.390 (10)H22···H112.4900
C27···Cl13.160 (6)H22···C18B2.9900
C27···Ti14.102 (6)H23···H17C2.5200
C27···C133.549 (9)H23···C17A2.9000
C27···C53.510 (9)H23···H17A2.4700
C27···C242.290 (10)H25···H16E2.4300
C28···C193.328 (9)H25···C16B2.8400
C28···C252.252 (9)H25···H16D2.4400
C28···Si22.886 (7)H26···C142.8900
C28···C203.446 (9)H26···Ti23.0600
C28···Cl13.189 (6)H26···H18A2.3100
C28···C262.242 (10)H26···C18A2.9100
C2···H18Fii3.0000H26···H62.4500
C3···H42.1000H26···H29Bv2.4600
C3···H72.1000H26···H16E2.5700
C4···H52.0700H27···Cl13.0400
C5···H42.0600H27···Ti23.0500
C5···H272.7600H27···H52.2800
C5···H62.1000H27···C52.7600
C5···H1Biv2.9100H27···C62.8400
C6···H272.8400H27···H62.4600
C6···H72.0700H28···Cl13.0700
C6···H1Biv2.6900H29B···H26vii2.4600
C6···H52.1000H30A···C12viii2.9400
C7···H20v2.9900H30A···C10viii2.8800
C7···H62.0800H30A···C11viii2.8000
Cl1—Ti1—C3130.60 (15)Ti1—C7—C373.5 (3)
Cl1—Ti1—C495.95 (17)Ti1—C7—C675.7 (4)
Cl1—Ti1—C579.11 (17)C3—C7—C6109.3 (6)
Cl1—Ti1—C698.41 (17)Ti1—C8—Si1100.1 (2)
Cl1—Ti1—C7131.72 (18)Ti1—C8—C972.6 (3)
Cl1—Ti1—C8131.26 (15)Ti1—C8—C1272.3 (3)
Cl1—Ti1—C996.73 (15)Si1—C8—C9123.0 (4)
Cl1—Ti1—C1079.96 (16)Si1—C8—C12126.9 (5)
Cl1—Ti1—C1199.07 (18)C9—C8—C12105.1 (5)
Cl1—Ti1—C12132.10 (18)Ti1—C9—C872.8 (3)
C3—Ti1—C556.7 (2)Ti1—C9—C1075.9 (3)
C3—Ti1—C657.0 (2)C8—C9—C10109.4 (5)
C3—Ti1—C734.8 (2)Ti1—C10—C970.7 (4)
C3—Ti1—C867.7 (2)Ti1—C10—C1172.6 (4)
C3—Ti1—C987.1 (2)C9—C10—C11108.0 (6)
C3—Ti1—C10119.9 (2)Ti1—C11—C1074.1 (4)
C3—Ti1—C11122.4 (2)Ti1—C11—C1271.1 (4)
C3—Ti1—C1290.5 (2)C10—C11—C12108.0 (5)
C3—Ti1—C13120.6 (2)Ti1—C12—C873.0 (3)
C4—Ti1—C533.1 (2)Ti1—C12—C1175.4 (3)
C4—Ti1—C655.9 (2)C8—C12—C11109.5 (5)
C4—Ti1—C756.8 (2)Ti1—C13—Ti2102.6 (2)
C4—Ti1—C887.5 (2)Ti1—C13—C14175.7 (5)
C4—Ti1—C988.2 (2)Ti2—C13—C1473.2 (4)
C4—Ti1—C10118.4 (2)Ti2—C14—C1375.5 (4)
C4—Ti1—C11142.3 (2)Ti2—C14—C15144.2 (4)
C4—Ti1—C12119.2 (2)C13—C14—C15140.2 (6)
C4—Ti1—C13135.1 (2)C14—C15—C16A108.3 (7)
C5—Ti1—C633.6 (2)C14—C15—C17A112.7 (7)
C5—Ti1—C756.1 (2)C14—C15—C18A107.9 (6)
C5—Ti1—C8120.0 (2)C14—C15—C16B113.5 (18)
C5—Ti1—C9118.2 (2)C14—C15—C17B107.6 (13)
C5—Ti1—C10140.7 (2)C14—C15—C18B105.5 (15)
C5—Ti1—C11173.8 (2)C16A—C15—C17A109.9 (9)
C5—Ti1—C12147.0 (2)C16A—C15—C18A109.8 (9)
C5—Ti1—C13106.5 (2)C17A—C15—C18A108.3 (10)
C6—Ti1—C733.8 (2)C16B—C15—C17B108 (3)
C6—Ti1—C8122.4 (2)C16B—C15—C18B112 (2)
C6—Ti1—C9142.1 (2)C17B—C15—C18B110 (2)
C6—Ti1—C10174.0 (2)Ti2—C19—Si2100.5 (3)
C6—Ti1—C11152.3 (2)Ti2—C19—C2072.6 (4)
C6—Ti1—C12127.6 (2)Ti2—C19—C2373.5 (4)
C6—Ti1—C1379.2 (2)Si2—C19—C20125.4 (5)
C7—Ti1—C890.2 (2)Si2—C19—C23123.3 (5)
C7—Ti1—C9118.7 (2)C20—C19—C23106.9 (5)
C7—Ti1—C10146.6 (2)Ti2—C20—C1973.8 (4)
C7—Ti1—C11127.3 (2)Ti2—C20—C2175.7 (4)
C7—Ti1—C1295.8 (2)C19—C20—C21108.8 (6)
C7—Ti1—C1386.5 (2)Ti2—C21—C2070.6 (4)
C8—Ti1—C934.6 (2)Ti2—C21—C2274.6 (4)
C8—Ti1—C1056.6 (2)C20—C21—C22107.4 (6)
C8—Ti1—C1156.8 (2)Ti2—C22—C2172.9 (4)
C8—Ti1—C1234.72 (19)Ti2—C22—C2370.9 (4)
C8—Ti1—C13120.4 (2)C21—C22—C23108.1 (6)
C9—Ti1—C1033.4 (2)Ti2—C23—C1972.8 (3)
C9—Ti1—C1155.88 (19)Ti2—C23—C2276.0 (4)
C9—Ti1—C1256.6 (2)C19—C23—C22108.7 (5)
C9—Ti1—C13135.3 (2)Ti2—C24—Si2100.7 (3)
C10—Ti1—C1133.3 (2)Ti2—C24—C2573.0 (3)
C10—Ti1—C1255.6 (2)Ti2—C24—C2871.7 (3)
C10—Ti1—C13106.5 (2)Si2—C24—C25125.3 (5)
C11—Ti1—C1233.5 (2)Si2—C24—C28124.4 (5)
C11—Ti1—C1379.4 (2)C25—C24—C28105.5 (6)
C12—Ti1—C1386.5 (2)Ti2—C25—C2473.0 (3)
Cg1—Ti1—Cg2128.96 (13)Ti2—C25—C2675.8 (3)
Cg1—Ti1—Cl1108.25 (11)C24—C25—C26108.8 (6)
Cg1—Ti1—C13106.72 (19)Ti2—C26—C2571.2 (4)
Cg2—Ti1—Cl1109.01 (10)Ti2—C26—C2773.3 (4)
Cg2—Ti1—C13106.71 (18)C25—C26—C27108.8 (6)
Cl1—Ti1—C1390.27 (17)Ti2—C27—C2674.3 (4)
C3—Ti1—C434.8 (2)Ti2—C27—C2870.3 (4)
Cl1—Ti2—C1381.44 (15)C26—C27—C28107.9 (6)
Cl1—Ti2—C14112.72 (16)Ti2—C28—C2474.0 (3)
Cl1—Ti2—C19111.91 (15)Ti2—C28—C2776.2 (4)
Cl1—Ti2—C2079.86 (17)C24—C28—C27109.0 (6)
Cl1—Ti2—C2177.48 (17)Si1—C1—H1A109.00
Cl1—Ti2—C22106.85 (16)Si1—C1—H1B109.00
Cl1—Ti2—C23131.30 (17)Si1—C1—H1C109.00
Cl1—Ti2—C24112.93 (15)H1A—C1—H1B110.00
Cl1—Ti2—C25132.02 (18)H1A—C1—H1C109.00
Cl1—Ti2—C26107.06 (17)H1B—C1—H1C110.00
Cl1—Ti2—C2778.01 (16)Si1—C2—H2A109.00
Cl1—Ti2—C2880.27 (15)Si1—C2—H2B109.00
C13—Ti2—C1431.3 (2)Si1—C2—H2C109.00
C13—Ti2—C19142.4 (2)H2A—C2—H2B109.00
C13—Ti2—C20129.7 (2)H2A—C2—H2C109.00
C13—Ti2—C2196.6 (2)H2B—C2—H2C109.00
C13—Ti2—C2287.4 (2)Ti1—C4—H4118.00
C13—Ti2—C23111.0 (2)C3—C4—H4125.00
C13—Ti2—C24142.2 (2)C5—C4—H4125.00
C13—Ti2—C25110.2 (2)Ti1—C5—H5122.00
C13—Ti2—C2687.1 (2)C4—C5—H5126.00
C13—Ti2—C2796.7 (2)C6—C5—H5126.00
C13—Ti2—C28129.6 (2)Ti1—C6—H6121.00
C14—Ti2—C19123.1 (2)C5—C6—H6126.00
C14—Ti2—C20133.8 (2)C7—C6—H6126.00
C14—Ti2—C21103.1 (2)Ti1—C7—H7117.00
C14—Ti2—C2279.1 (2)C3—C7—H7125.00
C14—Ti2—C2389.5 (2)C6—C7—H7125.00
C14—Ti2—C24122.0 (2)Ti1—C9—H9118.00
C14—Ti2—C2588.2 (2)C8—C9—H9125.00
C14—Ti2—C2678.1 (2)C10—C9—H9125.00
C14—Ti2—C27102.3 (2)Ti1—C10—H10122.00
C14—Ti2—C28132.8 (2)C9—C10—H10126.00
C19—Ti2—C2033.6 (2)C11—C10—H10126.00
C19—Ti2—C2155.7 (2)Ti1—C11—H11121.00
C19—Ti2—C2255.3 (2)C10—C11—H11126.00
C19—Ti2—C2333.7 (2)C12—C11—H11126.00
C19—Ti2—C2466.8 (2)Ti1—C12—H12118.00
C19—Ti2—C2587.2 (2)C8—C12—H12125.00
C19—Ti2—C26119.2 (2)C11—C12—H12125.00
C19—Ti2—C27120.1 (2)C15—C16A—H16A109.00
C19—Ti2—C2887.9 (2)C15—C16A—H16B110.00
C20—Ti2—C2133.7 (2)C15—C16A—H16C109.00
C20—Ti2—C2255.0 (2)H16A—C16A—H16B109.00
C20—Ti2—C2355.5 (2)H16A—C16A—H16C109.00
C20—Ti2—C2487.9 (2)H16B—C16A—H16C110.00
C20—Ti2—C25117.0 (2)H16E—C16B—H16F110.00
C20—Ti2—C26143.1 (2)C15—C16B—H16F110.00
C20—Ti2—C27123.9 (2)C15—C16B—H16D109.00
C20—Ti2—C2892.2 (3)C15—C16B—H16E110.00
C21—Ti2—C2232.5 (2)H16D—C16B—H16E109.00
C21—Ti2—C2354.9 (2)H16D—C16B—H16F109.00
C21—Ti2—C24120.2 (2)C15—C17A—H17B109.00
C21—Ti2—C25141.6 (2)C15—C17A—H17A109.00
C21—Ti2—C26174.6 (2)H17A—C17A—H17B109.00
C21—Ti2—C27149.9 (2)H17A—C17A—H17C109.00
C21—Ti2—C28124.1 (2)C15—C17A—H17C110.00
C22—Ti2—C2333.0 (2)H17B—C17A—H17C109.00
C22—Ti2—C24118.3 (2)C15—C17B—H17D109.00
C22—Ti2—C25119.7 (2)C15—C17B—H17E109.00
C22—Ti2—C26144.4 (2)C15—C17B—H17F110.00
C22—Ti2—C27174.1 (2)H17D—C17B—H17E109.00
C22—Ti2—C28142.9 (2)H17D—C17B—H17F110.00
C23—Ti2—C2486.1 (2)H17E—C17B—H17F110.00
C23—Ti2—C2589.1 (2)C15—C18A—H18B109.00
C23—Ti2—C26120.0 (2)C15—C18A—H18C109.00
C23—Ti2—C27141.1 (2)C15—C18A—H18A110.00
C23—Ti2—C28116.3 (2)H18A—C18A—H18B109.00
C24—Ti2—C2534.1 (2)H18A—C18A—H18C110.00
C24—Ti2—C2655.6 (2)H18B—C18A—H18C109.00
C24—Ti2—C2756.0 (2)C15—C18B—H18D109.00
C24—Ti2—C2834.30 (19)C15—C18B—H18E110.00
C25—Ti2—C2633.0 (2)C15—C18B—H18F109.00
C25—Ti2—C2754.9 (2)H18E—C18B—H18F110.00
C25—Ti2—C2856.0 (2)H18D—C18B—H18E110.00
C26—Ti2—C2732.4 (2)H18D—C18B—H18F109.00
C26—Ti2—C2855.0 (2)C19—C20—H20126.00
C27—Ti2—C2833.5 (3)Ti2—C20—H20117.00
Cg3—Ti2—Cg4126.70 (13)C21—C20—H20126.00
Cg3—Ti2—Cg5111.61 (15)Ti2—C21—H21120.00
Cg3—Ti2—Cl1102.27 (10)C20—C21—H21126.00
Cg4—Ti2—Cg5110.88 (15)C22—C21—H21126.00
Cg4—Ti2—Cl1102.93 (9)C23—C22—H22126.00
Cg5—Ti2—Cl197.00 (13)C21—C22—H22126.00
Ti1—Cl1—Ti285.72 (7)Ti2—C22—H22122.00
C1—Si1—C2112.6 (3)Ti2—C23—H23118.00
C1—Si1—C3112.8 (3)C19—C23—H23126.00
C1—Si1—C8111.9 (3)C22—C23—H23126.00
C2—Si1—C3112.2 (3)Ti2—C25—H25118.00
C2—Si1—C8114.0 (3)C26—C25—H25126.00
C3—Si1—C891.8 (3)C24—C25—H25126.00
C19—Si2—C2492.0 (3)C25—C26—H26126.00
C19—Si2—C29113.3 (3)Ti2—C26—H26122.00
C19—Si2—C30111.0 (3)C27—C26—H26126.00
C24—Si2—C29112.2 (4)C26—C27—H27126.00
C24—Si2—C30113.8 (4)Ti2—C27—H27121.00
C29—Si2—C30112.9 (4)C28—C27—H27126.00
Ti1—C3—Si1100.3 (3)C24—C28—H28125.00
Ti1—C3—C472.6 (3)C27—C28—H28126.00
Ti1—C3—C771.7 (3)Ti2—C28—H28116.00
Si1—C3—C4123.7 (5)Si2—C29—H29B110.00
Si1—C3—C7126.0 (5)H29A—C29—H29C109.00
C4—C3—C7105.1 (5)Si2—C29—H29C109.00
Ti1—C4—C372.7 (3)H29A—C29—H29B109.00
Ti1—C4—C576.0 (4)Si2—C29—H29A110.00
C3—C4—C5109.9 (6)H29B—C29—H29C109.00
Ti1—C5—C470.9 (4)Si2—C30—H30C109.00
Ti1—C5—C672.3 (4)H30A—C30—H30C110.00
C4—C5—C6107.8 (6)H30B—C30—H30C109.00
Ti1—C6—C574.1 (4)H30A—C30—H30B109.00
Ti1—C6—C770.6 (4)Si2—C30—H30A109.00
C5—C6—C7107.9 (6)Si2—C30—H30B110.00
C3—Ti1—Cl1—Ti2132.32 (19)C28—Ti2—C19—Si226.8 (3)
C4—Ti1—Cl1—Ti2135.40 (17)C28—Ti2—C19—C2097.2 (4)
C5—Ti1—Cl1—Ti2106.79 (17)C28—Ti2—C19—C23148.6 (4)
C6—Ti1—Cl1—Ti279.12 (17)Cl1—Ti2—C20—C19162.5 (4)
C7—Ti1—Cl1—Ti285.5 (2)Cl1—Ti2—C20—C2182.6 (4)
C8—Ti1—Cl1—Ti2132.65 (19)C13—Ti2—C20—C19127.7 (4)
C9—Ti1—Cl1—Ti2135.71 (15)C13—Ti2—C20—C2112.8 (5)
C10—Ti1—Cl1—Ti2106.72 (17)C14—Ti2—C20—C1985.6 (4)
C11—Ti1—Cl1—Ti279.29 (15)C14—Ti2—C20—C2129.2 (5)
C12—Ti1—Cl1—Ti285.6 (2)C19—Ti2—C20—C21114.9 (6)
C13—Ti1—Cl1—Ti20.02 (19)C21—Ti2—C20—C19114.9 (6)
Cl1—Ti1—C3—Si1127.68 (19)C22—Ti2—C20—C1978.4 (4)
Cl1—Ti1—C3—C45.4 (4)C22—Ti2—C20—C2136.4 (4)
Cl1—Ti1—C3—C7107.6 (4)C23—Ti2—C20—C1937.9 (4)
C4—Ti1—C3—Si1122.3 (5)C23—Ti2—C20—C2176.9 (4)
C4—Ti1—C3—C7113.0 (5)C24—Ti2—C20—C1948.8 (4)
C5—Ti1—C3—Si1158.1 (4)C24—Ti2—C20—C21163.7 (4)
C5—Ti1—C3—C435.8 (4)C25—Ti2—C20—C1930.3 (4)
C5—Ti1—C3—C777.2 (4)C25—Ti2—C20—C21145.2 (4)
C6—Ti1—C3—Si1161.4 (4)C26—Ti2—C20—C1957.6 (5)
C6—Ti1—C3—C476.3 (4)C26—Ti2—C20—C21172.4 (4)
C6—Ti1—C3—C736.8 (4)C27—Ti2—C20—C1994.5 (4)
C7—Ti1—C3—Si1124.7 (5)C27—Ti2—C20—C21150.6 (4)
C7—Ti1—C3—C4113.0 (5)C28—Ti2—C20—C1982.8 (4)
C8—Ti1—C3—Si11.7 (2)C28—Ti2—C20—C21162.3 (4)
C8—Ti1—C3—C4120.6 (4)Cl1—Ti2—C21—C2090.4 (4)
C8—Ti1—C3—C7126.4 (4)Cl1—Ti2—C21—C22154.3 (4)
C9—Ti1—C3—Si131.3 (2)C13—Ti2—C21—C20170.1 (4)
C9—Ti1—C3—C491.0 (4)C13—Ti2—C21—C2274.6 (4)
C9—Ti1—C3—C7156.0 (4)C14—Ti2—C21—C20158.8 (4)
C10—Ti1—C3—Si124.5 (3)C14—Ti2—C21—C2243.5 (4)
C10—Ti1—C3—C497.8 (4)C19—Ti2—C21—C2037.5 (4)
C10—Ti1—C3—C7149.2 (4)C19—Ti2—C21—C2277.8 (4)
C11—Ti1—C3—Si114.5 (3)C20—Ti2—C21—C22115.3 (6)
C11—Ti1—C3—C4136.8 (4)C22—Ti2—C21—C20115.3 (6)
C11—Ti1—C3—C7110.2 (4)C23—Ti2—C21—C2078.8 (4)
C12—Ti1—C3—Si125.2 (3)C23—Ti2—C21—C2236.5 (4)
C12—Ti1—C3—C4147.5 (4)C24—Ti2—C21—C2019.0 (5)
C12—Ti1—C3—C799.5 (4)C24—Ti2—C21—C2296.3 (4)
C13—Ti1—C3—Si1111.5 (3)C25—Ti2—C21—C2055.0 (6)
C13—Ti1—C3—C4126.3 (4)C25—Ti2—C21—C2260.3 (6)
C13—Ti1—C3—C713.2 (4)C27—Ti2—C21—C2054.4 (6)
Cl1—Ti1—C4—C3175.9 (3)C27—Ti2—C21—C22169.7 (4)
Cl1—Ti1—C4—C559.5 (4)C28—Ti2—C21—C2021.5 (5)
C3—Ti1—C4—C5116.4 (6)C28—Ti2—C21—C22136.8 (4)
C5—Ti1—C4—C3116.4 (6)Cl1—Ti2—C22—C2126.3 (4)
C6—Ti1—C4—C379.8 (4)Cl1—Ti2—C22—C23143.1 (3)
C6—Ti1—C4—C536.7 (4)C13—Ti2—C22—C21106.5 (4)
C7—Ti1—C4—C338.9 (4)C13—Ti2—C22—C23136.7 (4)
C7—Ti1—C4—C577.5 (4)C14—Ti2—C22—C21136.9 (4)
C8—Ti1—C4—C352.9 (4)C14—Ti2—C22—C23106.3 (4)
C8—Ti1—C4—C5169.3 (4)C19—Ti2—C22—C2179.1 (4)
C9—Ti1—C4—C387.5 (4)C19—Ti2—C22—C2337.7 (4)
C9—Ti1—C4—C5156.1 (4)C20—Ti2—C22—C2137.8 (4)
C10—Ti1—C4—C3102.3 (4)C20—Ti2—C22—C2379.0 (4)
C10—Ti1—C4—C5141.3 (4)C21—Ti2—C22—C23116.8 (6)
C11—Ti1—C4—C370.9 (5)C23—Ti2—C22—C21116.8 (6)
C11—Ti1—C4—C5172.7 (4)C24—Ti2—C22—C21102.5 (4)
C12—Ti1—C4—C338.0 (4)C24—Ti2—C22—C2314.3 (5)
C12—Ti1—C4—C5154.4 (4)C25—Ti2—C22—C21141.6 (4)
C13—Ti1—C4—C379.5 (5)C25—Ti2—C22—C2324.8 (5)
C13—Ti1—C4—C536.9 (5)C26—Ti2—C22—C21172.0 (4)
Cl1—Ti1—C5—C4119.3 (4)C26—Ti2—C22—C2355.2 (6)
Cl1—Ti1—C5—C6124.0 (4)C28—Ti2—C22—C2169.9 (5)
C3—Ti1—C5—C437.7 (4)C28—Ti2—C22—C2346.9 (5)
C3—Ti1—C5—C679.1 (4)Cl1—Ti2—C23—C1965.1 (4)
C4—Ti1—C5—C6116.8 (6)Cl1—Ti2—C23—C2250.0 (4)
C6—Ti1—C5—C4116.8 (6)C13—Ti2—C23—C19162.3 (3)
C7—Ti1—C5—C479.8 (4)C13—Ti2—C23—C2247.2 (4)
C7—Ti1—C5—C637.0 (4)C14—Ti2—C23—C19174.5 (4)
C8—Ti1—C5—C412.4 (5)C14—Ti2—C23—C2270.5 (4)
C8—Ti1—C5—C6104.4 (4)C19—Ti2—C23—C22115.1 (5)
C9—Ti1—C5—C427.4 (5)C20—Ti2—C23—C1937.8 (4)
C9—Ti1—C5—C6144.2 (4)C20—Ti2—C23—C2277.3 (4)
C10—Ti1—C5—C460.2 (5)C21—Ti2—C23—C1979.2 (4)
C10—Ti1—C5—C6177.0 (4)C21—Ti2—C23—C2235.9 (4)
C12—Ti1—C5—C443.8 (6)C22—Ti2—C23—C19115.1 (5)
C12—Ti1—C5—C673.0 (6)C24—Ti2—C23—C1952.3 (4)
C13—Ti1—C5—C4153.7 (4)C24—Ti2—C23—C22167.4 (4)
C13—Ti1—C5—C637.0 (4)C25—Ti2—C23—C1986.3 (4)
Cl1—Ti1—C6—C555.4 (4)C25—Ti2—C23—C22158.7 (4)
Cl1—Ti1—C6—C7171.5 (4)C26—Ti2—C23—C1998.5 (4)
C3—Ti1—C6—C578.1 (4)C26—Ti2—C23—C22146.5 (4)
C3—Ti1—C6—C737.9 (4)C27—Ti2—C23—C1965.3 (5)
C4—Ti1—C6—C536.1 (4)C27—Ti2—C23—C22179.7 (4)
C4—Ti1—C6—C779.9 (4)C28—Ti2—C23—C1935.5 (4)
C5—Ti1—C6—C7116.0 (6)C28—Ti2—C23—C22150.6 (4)
C7—Ti1—C6—C5116.0 (6)Cl1—Ti2—C24—Si2103.9 (2)
C8—Ti1—C6—C596.6 (4)Cl1—Ti2—C24—C25132.2 (3)
C8—Ti1—C6—C719.4 (5)Cl1—Ti2—C24—C2819.0 (4)
C9—Ti1—C6—C557.1 (5)C13—Ti2—C24—Si2149.7 (3)
C9—Ti1—C6—C758.9 (5)C13—Ti2—C24—C2525.9 (5)
C11—Ti1—C6—C5176.0 (5)C13—Ti2—C24—C2887.4 (5)
C11—Ti1—C6—C759.9 (7)C14—Ti2—C24—Si2116.7 (3)
C12—Ti1—C6—C5138.9 (4)C14—Ti2—C24—C257.1 (5)
C12—Ti1—C6—C722.9 (5)C14—Ti2—C24—C28120.4 (4)
C13—Ti1—C6—C5144.1 (4)C19—Ti2—C24—Si21.1 (2)
C13—Ti1—C6—C799.9 (4)C19—Ti2—C24—C25122.7 (4)
Cl1—Ti1—C7—C3104.2 (3)C19—Ti2—C24—C28124.0 (4)
Cl1—Ti1—C7—C611.4 (5)C20—Ti2—C24—Si225.9 (3)
C3—Ti1—C7—C6115.6 (6)C20—Ti2—C24—C25149.7 (4)
C4—Ti1—C7—C338.8 (3)C20—Ti2—C24—C2897.0 (4)
C4—Ti1—C7—C676.7 (4)C21—Ti2—C24—Si215.5 (3)
C5—Ti1—C7—C378.8 (4)C21—Ti2—C24—C25139.3 (4)
C5—Ti1—C7—C636.8 (4)C21—Ti2—C24—C28107.4 (4)
C6—Ti1—C7—C3115.6 (6)C22—Ti2—C24—Si221.9 (3)
C8—Ti1—C7—C348.2 (4)C22—Ti2—C24—C25101.9 (4)
C8—Ti1—C7—C6163.7 (4)C22—Ti2—C24—C28144.8 (4)
C9—Ti1—C7—C327.6 (4)C23—Ti2—C24—Si229.7 (3)
C9—Ti1—C7—C6143.2 (4)C23—Ti2—C24—C2594.2 (4)
C10—Ti1—C7—C353.6 (6)C23—Ti2—C24—C28152.6 (4)
C10—Ti1—C7—C6169.2 (4)C25—Ti2—C24—Si2123.9 (5)
C11—Ti1—C7—C394.9 (4)C25—Ti2—C24—C28113.3 (6)
C11—Ti1—C7—C6149.6 (4)C26—Ti2—C24—Si2160.5 (4)
C12—Ti1—C7—C382.5 (4)C26—Ti2—C24—C2536.7 (4)
C12—Ti1—C7—C6162.0 (4)C26—Ti2—C24—C2876.6 (4)
C13—Ti1—C7—C3168.6 (4)C27—Ti2—C24—Si2160.1 (4)
C13—Ti1—C7—C675.8 (4)C27—Ti2—C24—C2576.1 (4)
Cl1—Ti1—C8—Si1126.89 (19)C27—Ti2—C24—C2837.2 (4)
Cl1—Ti1—C8—C95.4 (4)C28—Ti2—C24—Si2122.9 (5)
Cl1—Ti1—C8—C12107.5 (4)C28—Ti2—C24—C25113.3 (6)
C3—Ti1—C8—Si11.7 (2)Cl1—Ti2—C25—C2466.6 (4)
C3—Ti1—C8—C9119.8 (4)Cl1—Ti2—C25—C2648.6 (5)
C3—Ti1—C8—C12127.4 (4)C13—Ti2—C25—C24163.5 (3)
C4—Ti1—C8—Si131.1 (3)C13—Ti2—C25—C2648.3 (4)
C4—Ti1—C8—C990.4 (3)C14—Ti2—C25—C24174.0 (4)
C4—Ti1—C8—C12156.8 (4)C14—Ti2—C25—C2670.9 (4)
C5—Ti1—C8—Si124.4 (3)C19—Ti2—C25—C2450.7 (4)
C5—Ti1—C8—C997.1 (4)C19—Ti2—C25—C26165.9 (4)
C5—Ti1—C8—C12150.1 (4)C20—Ti2—C25—C2434.5 (4)
C6—Ti1—C8—Si115.0 (4)C20—Ti2—C25—C26149.7 (4)
C6—Ti1—C8—C9136.6 (3)C21—Ti2—C25—C2465.1 (5)
C6—Ti1—C8—C12110.6 (4)C21—Ti2—C25—C26179.7 (4)
C7—Ti1—C8—Si125.7 (3)C22—Ti2—C25—C2497.6 (4)
C7—Ti1—C8—C9147.2 (4)C22—Ti2—C25—C26147.2 (4)
C7—Ti1—C8—C12100.0 (4)C23—Ti2—C25—C2484.4 (4)
C9—Ti1—C8—Si1121.5 (4)C23—Ti2—C25—C26160.4 (4)
C9—Ti1—C8—C12112.8 (5)C24—Ti2—C25—C26115.2 (6)
C10—Ti1—C8—Si1157.9 (3)C26—Ti2—C25—C24115.2 (6)
C10—Ti1—C8—C936.4 (3)C27—Ti2—C25—C2479.6 (4)
C10—Ti1—C8—C1276.4 (4)C27—Ti2—C25—C2635.6 (4)
C11—Ti1—C8—Si1161.9 (4)C28—Ti2—C25—C2438.7 (4)
C11—Ti1—C8—C976.5 (4)C28—Ti2—C25—C2676.6 (4)
C11—Ti1—C8—C1236.3 (4)Cl1—Ti2—C26—C25144.4 (4)
C12—Ti1—C8—Si1125.7 (5)Cl1—Ti2—C26—C2727.2 (4)
C12—Ti1—C8—C9112.8 (5)C13—Ti2—C26—C25135.5 (4)
C13—Ti1—C8—Si1111.7 (3)C13—Ti2—C26—C27107.3 (4)
C13—Ti1—C8—C9126.8 (3)C14—Ti2—C26—C25105.3 (4)
C13—Ti1—C8—C1214.0 (4)C14—Ti2—C26—C27137.5 (4)
Cl1—Ti1—C9—C8176.0 (3)C19—Ti2—C26—C2516.2 (5)
Cl1—Ti1—C9—C1060.1 (4)C19—Ti2—C26—C27101.0 (4)
C3—Ti1—C9—C853.5 (3)C20—Ti2—C26—C2548.5 (6)
C3—Ti1—C9—C10169.3 (4)C20—Ti2—C26—C2768.7 (5)
C4—Ti1—C9—C888.3 (3)C22—Ti2—C26—C2554.0 (6)
C4—Ti1—C9—C10155.9 (4)C22—Ti2—C26—C27171.2 (4)
C5—Ti1—C9—C8102.8 (4)C23—Ti2—C26—C2522.8 (5)
C5—Ti1—C9—C10141.3 (4)C23—Ti2—C26—C27140.0 (4)
C6—Ti1—C9—C871.0 (5)C24—Ti2—C26—C2537.9 (4)
C6—Ti1—C9—C10173.2 (4)C24—Ti2—C26—C2779.3 (4)
C7—Ti1—C9—C838.1 (4)C25—Ti2—C26—C27117.2 (6)
C7—Ti1—C9—C10154.0 (4)C27—Ti2—C26—C25117.2 (6)
C8—Ti1—C9—C10115.8 (5)C28—Ti2—C26—C2579.9 (4)
C10—Ti1—C9—C8115.8 (5)C28—Ti2—C26—C2737.3 (4)
C11—Ti1—C9—C879.5 (4)Cl1—Ti2—C27—C26153.5 (4)
C11—Ti1—C9—C1036.3 (4)Cl1—Ti2—C27—C2890.5 (3)
C12—Ti1—C9—C839.0 (3)C13—Ti2—C27—C2673.8 (4)
C12—Ti1—C9—C1076.8 (4)C13—Ti2—C27—C28170.2 (4)
C13—Ti1—C9—C878.7 (4)C14—Ti2—C27—C2642.6 (4)
C13—Ti1—C9—C1037.1 (5)C14—Ti2—C27—C28158.6 (3)
Cl1—Ti1—C10—C9119.0 (4)C19—Ti2—C27—C2698.0 (4)
Cl1—Ti1—C10—C11124.1 (4)C19—Ti2—C27—C2818.1 (4)
C3—Ti1—C10—C912.3 (4)C20—Ti2—C27—C26137.6 (4)
C3—Ti1—C10—C11104.6 (4)C20—Ti2—C27—C2821.5 (4)
C4—Ti1—C10—C927.7 (4)C21—Ti2—C27—C26170.5 (4)
C4—Ti1—C10—C11144.5 (4)C21—Ti2—C27—C2854.5 (6)
C5—Ti1—C10—C960.3 (5)C23—Ti2—C27—C2662.3 (6)
C5—Ti1—C10—C11177.2 (4)C23—Ti2—C27—C2853.7 (5)
C7—Ti1—C10—C944.4 (6)C24—Ti2—C27—C2677.9 (4)
C7—Ti1—C10—C1172.5 (6)C24—Ti2—C27—C2838.1 (3)
C8—Ti1—C10—C937.8 (3)C25—Ti2—C27—C2636.3 (4)
C8—Ti1—C10—C1179.1 (4)C25—Ti2—C27—C2879.7 (4)
C9—Ti1—C10—C11116.9 (5)C26—Ti2—C27—C28116.0 (5)
C11—Ti1—C10—C9116.9 (5)C28—Ti2—C27—C26116.0 (5)
C12—Ti1—C10—C979.9 (4)Cl1—Ti2—C28—C24162.3 (4)
C12—Ti1—C10—C1137.0 (4)Cl1—Ti2—C28—C2782.9 (3)
C13—Ti1—C10—C9153.7 (4)C13—Ti2—C28—C24127.4 (4)
C13—Ti1—C10—C1136.8 (4)C13—Ti2—C28—C2712.7 (5)
Cl1—Ti1—C11—C1055.7 (4)C14—Ti2—C28—C2485.6 (5)
Cl1—Ti1—C11—C12171.5 (3)C14—Ti2—C28—C2729.1 (5)
C3—Ti1—C11—C1096.2 (4)C19—Ti2—C28—C2449.7 (4)
C3—Ti1—C11—C1219.7 (4)C19—Ti2—C28—C27164.4 (4)
C4—Ti1—C11—C1056.6 (6)C20—Ti2—C28—C2483.0 (4)
C4—Ti1—C11—C1259.3 (5)C20—Ti2—C28—C27162.3 (4)
C6—Ti1—C11—C10175.9 (5)C21—Ti2—C28—C2494.8 (4)
C6—Ti1—C11—C1260.0 (6)C21—Ti2—C28—C27150.5 (4)
C7—Ti1—C11—C10138.6 (4)C22—Ti2—C28—C2457.2 (6)
C7—Ti1—C11—C1222.7 (4)C22—Ti2—C28—C27172.0 (4)
C8—Ti1—C11—C1078.2 (4)C23—Ti2—C28—C2430.9 (5)
C8—Ti1—C11—C1237.6 (3)C23—Ti2—C28—C27145.6 (4)
C9—Ti1—C11—C1036.4 (3)C24—Ti2—C28—C27114.7 (6)
C9—Ti1—C11—C1279.5 (4)C25—Ti2—C28—C2438.4 (4)
C10—Ti1—C11—C12115.9 (5)C25—Ti2—C28—C2776.4 (4)
C12—Ti1—C11—C10115.9 (5)C26—Ti2—C28—C2478.7 (4)
C13—Ti1—C11—C10144.2 (4)C26—Ti2—C28—C2736.0 (4)
C13—Ti1—C11—C1299.9 (4)C27—Ti2—C28—C24114.7 (6)
Cl1—Ti1—C12—C8104.9 (4)C8—Si1—C3—Ti12.0 (3)
Cl1—Ti1—C12—C1111.3 (4)C3—Si1—C8—C973.7 (5)
C3—Ti1—C12—C847.3 (4)C3—Si1—C8—C1277.4 (5)
C3—Ti1—C12—C11163.5 (4)C1—Si1—C3—C7168.6 (5)
C4—Ti1—C12—C826.8 (4)C2—Si1—C3—Ti1114.8 (3)
C4—Ti1—C12—C11143.0 (3)C2—Si1—C3—C4169.3 (5)
C5—Ti1—C12—C852.5 (6)C2—Si1—C3—C740.1 (6)
C5—Ti1—C12—C11168.6 (4)C8—Si1—C3—C473.8 (5)
C6—Ti1—C12—C894.4 (4)C8—Si1—C3—C776.8 (6)
C6—Ti1—C12—C11149.5 (4)C1—Si1—C8—Ti1117.5 (3)
C7—Ti1—C12—C881.8 (4)C1—Si1—C8—C941.8 (6)
C7—Ti1—C12—C11162.0 (4)C1—Si1—C8—C12167.1 (5)
C8—Ti1—C12—C11116.2 (5)C2—Si1—C8—Ti1113.3 (3)
C9—Ti1—C12—C838.9 (3)C2—Si1—C8—C9171.0 (5)
C9—Ti1—C12—C1177.3 (4)C2—Si1—C8—C1237.9 (6)
C10—Ti1—C12—C879.4 (4)C3—Si1—C8—Ti12.0 (3)
C10—Ti1—C12—C1136.8 (3)C1—Si1—C3—Ti1116.7 (3)
C11—Ti1—C12—C8116.2 (5)C1—Si1—C3—C440.9 (6)
C13—Ti1—C12—C8167.9 (4)C24—Si2—C19—Ti21.3 (3)
C13—Ti1—C12—C1175.9 (4)C24—Si2—C19—C2077.4 (6)
Cl1—Ti1—C13—Ti20.00 (19)C24—Si2—C19—C2375.8 (5)
C3—Ti1—C13—Ti2139.3 (2)C29—Si2—C19—Ti2113.9 (4)
C4—Ti1—C13—Ti298.7 (3)C19—Si2—C24—C2575.3 (5)
C5—Ti1—C13—Ti278.7 (3)C29—Si2—C19—C2037.9 (7)
C6—Ti1—C13—Ti298.5 (3)C29—Si2—C19—C23169.0 (6)
C7—Ti1—C13—Ti2131.8 (3)C30—Si2—C19—Ti2117.8 (4)
C8—Ti1—C13—Ti2140.1 (2)C30—Si2—C19—C20166.1 (6)
C9—Ti1—C13—Ti299.9 (3)C30—Si2—C19—C2340.7 (6)
C10—Ti1—C13—Ti279.6 (3)C19—Si2—C24—Ti21.3 (3)
C11—Ti1—C13—Ti299.2 (3)C30—Si2—C24—C28169.6 (5)
C12—Ti1—C13—Ti2132.2 (3)C19—Si2—C24—C2876.3 (5)
C13—Ti2—Cl1—Ti10.02 (16)C29—Si2—C24—Ti2114.9 (3)
C14—Ti2—Cl1—Ti10.30 (17)C29—Si2—C24—C25168.5 (5)
C19—Ti2—Cl1—Ti1143.43 (16)C29—Si2—C24—C2840.0 (6)
C20—Ti2—Cl1—Ti1133.12 (18)C30—Si2—C24—Ti2115.4 (3)
C21—Ti2—Cl1—Ti198.79 (17)C30—Si2—C24—C2538.8 (6)
C22—Ti2—Cl1—Ti184.69 (17)Ti1—C3—C4—C567.5 (5)
C23—Ti2—Cl1—Ti1110.6 (2)Si1—C3—C4—Ti190.9 (4)
C24—Ti2—Cl1—Ti1143.52 (18)Si1—C3—C7—C6157.4 (5)
C25—Ti2—Cl1—Ti1109.6 (2)C4—C3—C7—Ti165.4 (4)
C26—Ti2—Cl1—Ti184.29 (17)C4—C3—C7—C62.4 (7)
C27—Ti2—Cl1—Ti198.76 (19)C7—C3—C4—C52.8 (7)
C28—Ti2—Cl1—Ti1132.8 (2)Si1—C3—C4—C5158.4 (5)
Cl1—Ti2—C13—Ti10.00 (18)C7—C3—C4—Ti164.8 (4)
Cl1—Ti2—C13—C14179.4 (4)Ti1—C3—C7—C667.8 (5)
C14—Ti2—C13—Ti1179.4 (5)Si1—C3—C7—Ti189.5 (5)
C19—Ti2—C13—Ti1115.0 (3)Ti1—C4—C5—C663.3 (5)
C19—Ti2—C13—C1465.5 (5)C3—C4—C5—C62.1 (8)
C20—Ti2—C13—Ti169.1 (3)C3—C4—C5—Ti165.4 (4)
C20—Ti2—C13—C14111.5 (4)Ti1—C5—C6—C762.9 (5)
C21—Ti2—C13—Ti176.2 (3)C4—C5—C6—C70.5 (8)
C21—Ti2—C13—C14104.3 (4)C4—C5—C6—Ti162.4 (5)
C22—Ti2—C13—Ti1107.5 (3)C5—C6—C7—Ti165.2 (5)
C22—Ti2—C13—C1473.1 (4)Ti1—C6—C7—C366.4 (4)
C23—Ti2—C13—Ti1131.1 (2)C5—C6—C7—C31.2 (8)
C23—Ti2—C13—C1449.5 (4)Si1—C8—C9—C10158.7 (4)
C24—Ti2—C13—Ti1116.7 (3)C12—C8—C9—Ti165.5 (4)
C24—Ti2—C13—C1462.8 (5)Ti1—C8—C12—C1167.2 (4)
C25—Ti2—C13—Ti1131.7 (2)Si1—C8—C12—Ti189.5 (4)
C25—Ti2—C13—C1447.7 (4)C12—C8—C9—C102.3 (6)
C26—Ti2—C13—Ti1107.7 (3)C9—C8—C12—Ti165.7 (4)
C26—Ti2—C13—C1471.7 (4)C9—C8—C12—C111.5 (6)
C27—Ti2—C13—Ti176.7 (3)Si1—C8—C9—Ti191.0 (4)
C27—Ti2—C13—C14102.7 (4)Si1—C8—C12—C11156.7 (5)
C28—Ti2—C13—Ti169.7 (3)Ti1—C8—C9—C1067.8 (4)
C28—Ti2—C13—C14109.7 (4)Ti1—C9—C10—C1163.5 (4)
Cl1—Ti2—C14—C130.6 (4)C8—C9—C10—Ti165.7 (4)
Cl1—Ti2—C14—C15178.9 (6)C8—C9—C10—C112.2 (7)
C13—Ti2—C14—C15179.5 (9)Ti1—C10—C11—C1263.5 (4)
C19—Ti2—C14—C13138.5 (4)C9—C10—C11—C121.3 (7)
C19—Ti2—C14—C1542.0 (8)C9—C10—C11—Ti162.2 (4)
C20—Ti2—C14—C1397.3 (4)C10—C11—C12—Ti165.4 (4)
C20—Ti2—C14—C1583.2 (8)C10—C11—C12—C80.2 (7)
C21—Ti2—C14—C1381.1 (4)Ti1—C11—C12—C865.6 (4)
C21—Ti2—C14—C1599.4 (7)Ti2—C13—C14—C15179.5 (9)
C22—Ti2—C14—C13103.3 (4)C13—C14—C15—C17A151.8 (10)
C22—Ti2—C14—C1577.3 (7)C13—C14—C15—C18A88.8 (11)
C23—Ti2—C14—C13134.8 (4)C13—C14—C15—C16A30.0 (12)
C23—Ti2—C14—C1545.7 (7)Ti2—C14—C15—C18A90.5 (10)
C24—Ti2—C14—C13140.0 (4)Ti2—C14—C15—C17A29.0 (11)
C24—Ti2—C14—C1539.5 (8)Ti2—C14—C15—C16A150.7 (8)
C25—Ti2—C14—C13136.0 (4)Ti2—C19—C20—C2168.2 (5)
C25—Ti2—C14—C1543.5 (7)Si2—C19—C20—Ti290.7 (5)
C26—Ti2—C14—C13104.3 (4)Si2—C19—C20—C21159.0 (5)
C26—Ti2—C14—C1575.2 (7)C23—C19—C20—Ti266.1 (4)
C27—Ti2—C14—C1382.6 (4)C23—C19—C20—C212.2 (7)
C27—Ti2—C14—C1596.9 (7)Ti2—C19—C23—C2268.2 (5)
C28—Ti2—C14—C1398.5 (4)Si2—C19—C23—Ti291.9 (4)
C28—Ti2—C14—C1581.0 (8)C20—C19—C23—Ti265.5 (4)
Cl1—Ti2—C19—Si2105.4 (2)C20—C19—C23—C222.7 (7)
Cl1—Ti2—C19—C2018.6 (4)Si2—C19—C23—C22160.0 (5)
Cl1—Ti2—C19—C23132.7 (3)C19—C20—C21—C220.9 (8)
C13—Ti2—C19—Si2149.6 (3)Ti2—C20—C21—C2266.1 (5)
C13—Ti2—C19—C2086.5 (5)C19—C20—C21—Ti267.0 (5)
C13—Ti2—C19—C2327.7 (5)C20—C21—C22—Ti263.4 (5)
C14—Ti2—C19—Si2115.2 (3)Ti2—C21—C22—C2362.6 (5)
C14—Ti2—C19—C20120.8 (4)C20—C21—C22—C230.8 (8)
C14—Ti2—C19—C236.6 (4)C21—C22—C23—Ti263.8 (5)
C20—Ti2—C19—Si2124.0 (5)Ti2—C22—C23—C1966.0 (4)
C20—Ti2—C19—C23114.2 (5)C21—C22—C23—C192.2 (8)
C21—Ti2—C19—Si2161.6 (4)Si2—C24—C25—C26159.1 (5)
C21—Ti2—C19—C2037.6 (4)Ti2—C24—C25—C2667.9 (4)
C21—Ti2—C19—C2376.6 (4)Si2—C24—C25—Ti291.2 (4)
C22—Ti2—C19—Si2158.8 (3)C25—C24—C28—C273.2 (7)
C22—Ti2—C19—C2077.3 (4)Ti2—C24—C28—C2768.9 (4)
C22—Ti2—C19—C2336.9 (4)C28—C24—C25—Ti264.8 (4)
C23—Ti2—C19—Si2121.8 (5)C28—C24—C25—C263.1 (7)
C23—Ti2—C19—C20114.2 (5)C25—C24—C28—Ti265.7 (4)
C24—Ti2—C19—Si21.1 (2)Si2—C24—C28—Ti290.6 (4)
C24—Ti2—C19—C20125.1 (4)Si2—C24—C28—C27159.4 (5)
C24—Ti2—C19—C23120.7 (4)C24—C25—C26—Ti266.1 (4)
C25—Ti2—C19—Si229.2 (3)Ti2—C25—C26—C2764.1 (4)
C25—Ti2—C19—C20153.2 (4)C24—C25—C26—C271.9 (7)
C25—Ti2—C19—C2392.6 (4)Ti2—C26—C27—C2862.7 (4)
C26—Ti2—C19—Si220.5 (3)C25—C26—C27—Ti262.8 (4)
C26—Ti2—C19—C20144.5 (4)C25—C26—C27—C280.1 (7)
C26—Ti2—C19—C23101.3 (4)Ti2—C27—C28—C2467.4 (4)
C27—Ti2—C19—Si216.9 (3)C26—C27—C28—Ti265.4 (4)
C27—Ti2—C19—C20107.1 (4)C26—C27—C28—C242.1 (7)
C27—Ti2—C19—C23138.7 (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) x1, y, z; (viii) x, y1, z.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C1—H1C···Cl1i0.962.793.735 (7)167
Symmetry code: (i) x, y+2, z+1.
 

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