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The molecular structure of a mixed ter­phenyl COT compound [COT is cyclo­octatetraene] of the element thulium of composition DmpTm(THF)COT [Dmp is 2,6-dimesityl­phenyl], or [Tm(C4H8O)(C8H8)(C24H25)], is reported. The monomeric and alkali halide-free neutral molecule contains one η8-bonded COT ligand, one σ-bonded ter­phenyl moiety and a tetra­hydro­furan (THF) ligand.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536803025005/lh6136sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536803025005/lh6136Isup2.hkl
Contains datablock I

CCDC reference: 227740

Key indicators

  • Single-crystal X-ray study
  • T = 218 K
  • Mean [sigma](C-C) = 0.006 Å
  • R factor = 0.029
  • wR factor = 0.072
  • Data-to-parameter ratio = 14.5

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.26 Ratio
Author Response: This is probably attibuted to the model used for the treatment of disorder of C34. The ratio of Ueq C34A to Ueq C34 is 0.1273/0.03905 or 3.26. The carbon distances involving C34 and C34A were not fixed and were found to give long and short C-C bond parameters. An alternate model for disorder was attempted where the bond distances of C33-C34, C33-C34A, C34-C35, and C34A-C35 were constrained to 1.48 angstroms. This yielded a rather elongated ellipsoid for C34A, a non-positive definite error for C34A, and a similar number of alert type C's in the CIF check plus an Alert type A. Although the current model is not ideal,we believe that it addresses the issue of disorder for C34.
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....        C35
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        Tm1
PLAT301_ALERT_3_C Main Residue  Disorder .........................       3.00 Perc.
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      21.40 Deg.
              C34  -C33  -C34A    1.555   1.555   1.555
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      15.00 Deg.
              C34A -C35  -C34     1.555   1.555   1.555

0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 6 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 0 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 1 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: SMART (Bruker, 2001); cell refinement: SMART; data reduction: SAINT (Bruker, 2001); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 2001); software used to prepare material for publication: SHELXTL.

(η8-Cyclooctatetraenyl)(2,2'',4,4'',6,6''-hexamethyl-µ- terphenyl-κC2')(tetrahydrofuran-κO)thulium(III) top
Crystal data top
[Tm(C4H8O)(C8H8)(C24H25)]F(000) = 2672
Mr = 658.62Dx = 1.483 Mg m3
Orthorhombic, PbcaMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ac 2abCell parameters from 6048 reflections
a = 13.1317 (9) Åθ = 2.5–28.2°
b = 15.709 (1) ŵ = 3.03 mm1
c = 28.594 (2) ÅT = 218 K
V = 5898.6 (7) Å3Block, orange
Z = 80.40 × 0.20 × 0.05 mm
Data collection top
Bruker SMART 4K CCD area-detector
diffractometer
5203 independent reflections
Radiation source: fine-focus sealed tube3903 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.059
φ and ω scansθmax = 25.0°, θmin = 2.1°
Absorption correction: multi-scan
(SADABS; Bruker, 2001)
h = 1514
Tmin = 0.377, Tmax = 0.863k = 1818
33690 measured reflectionsl = 3334
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)] = 0.029Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.072H atoms treated by a mixture of independent and constrained refinement
S = 1.01 w = 1/[σ2(Fo2) + (0.0334P)2 + 1.0269P]
where P = (Fo2 + 2Fc2)/3
5203 reflections(Δ/σ)max = 0.002
359 parametersΔρmax = 0.71 e Å3
0 restraintsΔρmin = 0.43 e Å3
Special details top

Experimental. A crystal of approximately 0.40 x 0.20 x 0.05 mm3 on an edge was handled under a nitrogen atomosphere and mounted on a glass fiber with Paratone-N oil and then cooled to 218 K. The data were collected on a Bruker Smart 4 K CCD diffractometer with Mo radiation (Bruker,2001). The strucure was solved by direct methods and completed from subsequent difference Fourier syntheses.

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
O10.8828 (2)0.30732 (17)0.38686 (10)0.0420 (8)
Tm10.956870 (13)0.172882 (10)0.386912 (6)0.02965 (8)
C10.8891 (4)0.0841 (3)0.45381 (17)0.0485 (12)
H1A0.89280.09050.48640.073*
C20.8007 (4)0.1215 (3)0.4347 (2)0.0530 (13)
H2A0.75540.14240.45750.079*
C30.7665 (3)0.1340 (3)0.3887 (2)0.0561 (14)
H3A0.70220.16020.38780.084*
C40.8040 (4)0.1175 (3)0.3435 (2)0.0593 (15)
H4A0.76190.13930.31980.089*
C50.8902 (4)0.0756 (3)0.32611 (18)0.0554 (14)
H5A0.89360.07710.29330.083*
C60.9723 (3)0.0322 (3)0.34598 (18)0.0450 (12)
H6A1.01470.00710.32340.067*
C71.0058 (4)0.0173 (3)0.39117 (18)0.0449 (12)
H7A1.06540.01580.39200.067*
C80.9723 (3)0.0398 (3)0.43562 (18)0.0439 (12)
H8A1.01650.02040.45920.066*
C91.1077 (3)0.2469 (2)0.35766 (14)0.0271 (9)
C101.1477 (3)0.2611 (2)0.31231 (14)0.0279 (9)
C111.2289 (3)0.3153 (2)0.30462 (16)0.0392 (11)
H11A1.25330.32340.27400.047*
C121.2745 (3)0.3577 (3)0.34111 (17)0.0423 (11)
H12A1.32940.39470.33530.051*
C131.2399 (3)0.3460 (3)0.38595 (16)0.0402 (11)
H13A1.27110.37480.41100.048*
C141.1578 (3)0.2908 (2)0.39422 (14)0.0292 (9)
C151.1218 (3)0.2761 (2)0.44269 (14)0.0312 (9)
C161.1429 (3)0.1993 (2)0.46567 (15)0.0323 (10)
C171.1016 (3)0.1839 (3)0.50975 (16)0.0393 (11)
H17A1.11440.13140.52430.047*
C181.0426 (3)0.2432 (3)0.53267 (16)0.0387 (10)
C191.0271 (3)0.3204 (3)0.51094 (16)0.0416 (11)
H19A0.98890.36220.52670.050*
C201.0650 (3)0.3391 (2)0.46709 (16)0.0366 (10)
C211.2159 (3)0.1354 (3)0.44494 (16)0.0450 (11)
H21A1.28460.15820.44600.068*
H21B1.19710.12400.41270.068*
H21C1.21310.08290.46280.068*
C220.9990 (4)0.2256 (3)0.58031 (17)0.0554 (13)
H22A0.99910.16470.58600.083*
H22B0.92970.24690.58180.083*
H22C1.04010.25380.60390.083*
C231.0488 (4)0.4256 (3)0.44534 (17)0.0536 (13)
H23A0.99130.45340.46030.080*
H23B1.03510.41910.41220.080*
H23C1.10940.46000.44960.080*
C241.1027 (3)0.2149 (2)0.27134 (14)0.0295 (9)
C251.0370 (3)0.2546 (3)0.23967 (15)0.0327 (9)
C260.9922 (3)0.2063 (3)0.20384 (15)0.0378 (10)
H26A0.94600.23290.18340.045*
C271.0139 (3)0.1212 (3)0.19766 (15)0.0371 (10)
C281.0843 (3)0.0848 (2)0.22769 (16)0.0376 (11)
H28A1.10190.02730.22330.045*
C291.1292 (3)0.1288 (2)0.26351 (14)0.0332 (10)
C301.0158 (3)0.3490 (2)0.24163 (17)0.0414 (11)
H30A1.03830.37140.27150.062*
H30B0.94320.35880.23810.062*
H30C1.05210.37740.21650.062*
C310.9672 (3)0.0710 (3)0.15780 (17)0.0536 (13)
H31A0.91110.10300.14450.080*
H31B0.94230.01690.16950.080*
H31C1.01830.06110.13390.080*
C321.2104 (3)0.0875 (3)0.29296 (16)0.0455 (12)
H32A1.22220.02990.28190.068*
H32B1.18830.08590.32530.068*
H32C1.27300.12000.29060.068*
C330.8058 (4)0.3437 (3)0.41729 (19)0.0539 (13)
H33A0.75330.30090.42390.065*
H33B0.83700.36050.44700.065*
C340.761 (2)0.4147 (12)0.3961 (12)0.067 (6)0.60 (6)
H34A0.80010.46680.40200.080*0.60 (6)
H34B0.69050.42280.40610.080*0.60 (6)
C34A0.743 (3)0.397 (3)0.3806 (11)0.080 (11)0.40 (6)
H34C0.67100.38180.38370.097*0.40 (6)
H34D0.75040.45710.38790.097*0.40 (6)
C350.7683 (4)0.3853 (4)0.3411 (3)0.089 (2)
H35A0.71480.34440.33300.107*
H35B0.76470.43420.31990.107*
C360.8718 (4)0.3449 (3)0.34061 (19)0.0562 (13)
H36A0.87610.30110.31630.067*
H36B0.92490.38750.33500.067*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
O10.0432 (18)0.0340 (15)0.049 (2)0.0094 (13)0.0129 (16)0.0063 (14)
Tm10.02790 (11)0.02567 (10)0.03538 (13)0.00214 (7)0.00180 (9)0.00325 (8)
C10.061 (3)0.043 (2)0.042 (3)0.008 (2)0.010 (3)0.009 (2)
C20.048 (3)0.043 (3)0.067 (4)0.008 (2)0.024 (3)0.004 (3)
C30.026 (2)0.046 (3)0.096 (5)0.004 (2)0.000 (3)0.009 (3)
C40.051 (3)0.060 (3)0.066 (4)0.020 (3)0.026 (3)0.025 (3)
C50.068 (4)0.051 (3)0.048 (3)0.030 (3)0.007 (3)0.002 (2)
C60.058 (3)0.032 (2)0.045 (3)0.013 (2)0.006 (3)0.004 (2)
C70.048 (3)0.029 (2)0.058 (4)0.001 (2)0.009 (2)0.000 (2)
C80.046 (3)0.037 (2)0.048 (3)0.0037 (19)0.009 (2)0.013 (2)
C90.025 (2)0.0238 (18)0.033 (3)0.0012 (16)0.0008 (18)0.0036 (17)
C100.030 (2)0.0277 (19)0.026 (2)0.0023 (16)0.0013 (18)0.0048 (17)
C110.040 (2)0.044 (2)0.034 (3)0.009 (2)0.004 (2)0.003 (2)
C120.038 (2)0.043 (2)0.046 (3)0.0141 (19)0.007 (2)0.006 (2)
C130.040 (3)0.038 (2)0.042 (3)0.0114 (19)0.004 (2)0.006 (2)
C140.034 (2)0.0302 (19)0.024 (2)0.0012 (17)0.0017 (18)0.0031 (18)
C150.030 (2)0.037 (2)0.026 (2)0.0046 (17)0.004 (2)0.0042 (18)
C160.033 (2)0.035 (2)0.030 (3)0.0047 (17)0.005 (2)0.0023 (18)
C170.043 (3)0.038 (2)0.037 (3)0.0052 (19)0.009 (2)0.011 (2)
C180.040 (2)0.044 (2)0.032 (3)0.008 (2)0.001 (2)0.001 (2)
C190.049 (3)0.038 (2)0.038 (3)0.002 (2)0.005 (2)0.010 (2)
C200.043 (3)0.036 (2)0.031 (3)0.0039 (18)0.000 (2)0.0038 (19)
C210.042 (3)0.048 (2)0.045 (3)0.006 (2)0.001 (2)0.007 (2)
C220.069 (3)0.060 (3)0.038 (3)0.009 (3)0.010 (3)0.005 (3)
C230.076 (4)0.037 (2)0.048 (3)0.005 (2)0.008 (3)0.002 (2)
C240.030 (2)0.035 (2)0.024 (2)0.0036 (17)0.0080 (18)0.0040 (18)
C250.036 (2)0.037 (2)0.025 (2)0.0010 (19)0.006 (2)0.0039 (18)
C260.040 (2)0.047 (2)0.026 (3)0.003 (2)0.004 (2)0.001 (2)
C270.040 (3)0.043 (2)0.028 (3)0.0039 (19)0.011 (2)0.006 (2)
C280.044 (3)0.028 (2)0.041 (3)0.0000 (18)0.011 (2)0.005 (2)
C290.037 (2)0.031 (2)0.032 (3)0.0017 (18)0.009 (2)0.0031 (19)
C300.049 (3)0.038 (2)0.038 (3)0.004 (2)0.003 (2)0.004 (2)
C310.063 (3)0.055 (3)0.042 (3)0.007 (2)0.005 (3)0.018 (3)
C320.049 (3)0.041 (2)0.046 (3)0.010 (2)0.000 (2)0.001 (2)
C330.053 (3)0.052 (3)0.057 (4)0.014 (2)0.018 (3)0.006 (3)
C340.082 (12)0.039 (7)0.080 (16)0.023 (6)0.037 (11)0.010 (8)
C34A0.076 (15)0.13 (3)0.038 (15)0.077 (17)0.004 (12)0.003 (13)
C350.076 (4)0.096 (5)0.094 (6)0.047 (4)0.012 (4)0.040 (4)
C360.062 (3)0.049 (3)0.057 (3)0.015 (2)0.013 (3)0.014 (3)
Geometric parameters (Å, º) top
O1—C331.451 (5)C19—C201.381 (6)
O1—C361.455 (5)C19—H19A0.9400
O1—Tm12.325 (3)C20—C231.510 (6)
Tm1—C92.445 (4)C21—H21A0.9700
Tm1—C52.475 (4)C21—H21B0.9700
Tm1—C62.509 (4)C21—H21C0.9700
Tm1—C42.515 (5)C22—H22A0.9700
Tm1—C82.520 (4)C22—H22B0.9700
Tm1—C12.529 (4)C22—H22C0.9700
Tm1—C72.530 (4)C23—H23A0.9700
Tm1—C32.573 (4)C23—H23B0.9700
Tm1—C22.594 (4)C23—H23C0.9700
C1—C81.396 (6)C24—C251.397 (5)
C1—C21.410 (7)C24—C291.414 (5)
C1—H1A0.9400C25—C261.403 (6)
C2—C31.406 (7)C25—C301.511 (5)
C2—H2A0.9400C26—C271.378 (6)
C3—C41.405 (7)C26—H26A0.9400
C3—H3A0.9400C27—C281.385 (6)
C4—C51.401 (7)C27—C311.516 (6)
C4—H4A0.9400C28—C291.370 (6)
C5—C61.396 (7)C28—H28A0.9400
C5—H5A0.9400C29—C321.506 (6)
C6—C71.385 (6)C30—H30A0.9700
C6—H6A0.9400C30—H30B0.9700
C7—C81.391 (6)C30—H30C0.9700
C7—H7A0.9400C31—H31A0.9700
C8—H8A0.9400C31—H31B0.9700
C9—C141.415 (5)C31—H31C0.9700
C9—C101.416 (5)C32—H32A0.9700
C10—C111.383 (5)C32—H32B0.9700
C10—C241.499 (5)C32—H32C0.9700
C11—C121.375 (6)C33—C341.40 (2)
C11—H11A0.9400C33—C34A1.57 (3)
C12—C131.373 (6)C33—H33A0.9800
C12—H12A0.9400C33—H33B0.9800
C13—C141.404 (6)C34—C351.64 (4)
C13—H13A0.9400C34—H34A0.9800
C14—C151.483 (5)C34—H34B0.9800
C15—C161.402 (5)C34A—C351.19 (3)
C15—C201.422 (5)C34A—H34C0.9800
C16—C171.393 (6)C34A—H34D0.9800
C16—C211.510 (6)C35—C361.500 (7)
C17—C181.377 (6)C35—H35A0.9800
C17—H17A0.9400C35—H35B0.9800
C18—C191.378 (6)C36—H36A0.9800
C18—C221.503 (6)C36—H36B0.9800
C33—O1—C36108.5 (3)C13—C14—C15119.9 (4)
C33—O1—Tm1130.4 (3)C9—C14—C15117.8 (3)
C36—O1—Tm1114.2 (2)C16—C15—C20118.2 (4)
O1—Tm1—C984.66 (10)C16—C15—C14120.6 (4)
O1—Tm1—C5114.35 (15)C20—C15—C14121.2 (4)
C9—Tm1—C5109.88 (15)C17—C16—C15119.8 (4)
O1—Tm1—C6146.46 (14)C17—C16—C21119.2 (4)
C9—Tm1—C6101.20 (13)C15—C16—C21120.9 (4)
C5—Tm1—C632.53 (16)C18—C17—C16122.2 (4)
O1—Tm1—C488.86 (15)C18—C17—H17A118.9
C9—Tm1—C4130.00 (17)C16—C17—H17A118.9
C5—Tm1—C432.59 (18)C17—C18—C19117.6 (4)
C6—Tm1—C461.92 (17)C17—C18—C22121.4 (4)
O1—Tm1—C8141.94 (14)C19—C18—C22120.9 (4)
C9—Tm1—C8121.24 (13)C18—C19—C20122.9 (4)
C5—Tm1—C884.51 (16)C18—C19—H19A118.6
C6—Tm1—C861.35 (16)C20—C19—H19A118.6
C4—Tm1—C892.83 (14)C19—C20—C15119.2 (4)
O1—Tm1—C1110.72 (13)C19—C20—C23120.9 (4)
C9—Tm1—C1143.74 (15)C15—C20—C23119.9 (4)
C5—Tm1—C193.81 (16)C16—C21—H21A109.5
C6—Tm1—C184.00 (15)C16—C21—H21B109.5
C4—Tm1—C184.32 (17)H21A—C21—H21B109.5
C8—Tm1—C132.11 (15)C16—C21—H21C109.5
O1—Tm1—C7169.63 (13)H21A—C21—H21C109.5
C9—Tm1—C7105.68 (13)H21B—C21—H21C109.5
C5—Tm1—C761.78 (17)C18—C22—H22A109.5
C6—Tm1—C731.90 (14)C18—C22—H22B109.5
C4—Tm1—C783.80 (16)H22A—C22—H22B109.5
C8—Tm1—C731.96 (15)C18—C22—H22C109.5
C1—Tm1—C761.34 (15)H22A—C22—H22C109.5
O1—Tm1—C378.98 (13)H22B—C22—H22C109.5
C9—Tm1—C3155.02 (16)C20—C23—H23A109.5
C5—Tm1—C361.55 (18)C20—C23—H23B109.5
C6—Tm1—C383.02 (16)H23A—C23—H23B109.5
C4—Tm1—C332.03 (17)C20—C23—H23C109.5
C8—Tm1—C382.57 (15)H23A—C23—H23C109.5
C1—Tm1—C360.83 (17)H23B—C23—H23C109.5
C7—Tm1—C390.96 (15)C25—C24—C29118.4 (4)
O1—Tm1—C287.23 (12)C25—C24—C10122.3 (3)
C9—Tm1—C2165.71 (15)C29—C24—C10119.3 (4)
C5—Tm1—C284.19 (17)C24—C25—C26119.4 (4)
C6—Tm1—C292.05 (14)C24—C25—C30121.8 (4)
C4—Tm1—C261.40 (19)C26—C25—C30118.7 (4)
C8—Tm1—C260.93 (15)C27—C26—C25122.1 (4)
C1—Tm1—C231.93 (15)C27—C26—H26A119.0
C7—Tm1—C282.83 (15)C25—C26—H26A119.0
C3—Tm1—C231.58 (17)C26—C27—C28117.3 (4)
C8—C1—C2135.1 (5)C26—C27—C31121.1 (4)
C8—C1—Tm173.6 (3)C28—C27—C31121.4 (4)
C2—C1—Tm176.6 (3)C29—C28—C27122.8 (4)
C8—C1—H1A112.5C29—C28—H28A118.6
C2—C1—H1A112.5C27—C28—H28A118.6
Tm1—C1—H1A132.3C28—C29—C24119.7 (4)
C3—C2—C1133.1 (5)C28—C29—C32120.4 (4)
C3—C2—Tm173.4 (3)C24—C29—C32119.9 (4)
C1—C2—Tm171.5 (3)C25—C30—H30A109.5
C3—C2—H2A113.5C25—C30—H30B109.5
C1—C2—H2A113.5H30A—C30—H30B109.5
Tm1—C2—H2A139.2C25—C30—H30C109.5
C4—C3—C2136.3 (5)H30A—C30—H30C109.5
C4—C3—Tm171.7 (3)H30B—C30—H30C109.5
C2—C3—Tm175.0 (3)C27—C31—H31A109.5
C4—C3—H3A111.9C27—C31—H31B109.5
C2—C3—H3A111.9H31A—C31—H31B109.5
Tm1—C3—H3A140.3C27—C31—H31C109.5
C5—C4—C3134.2 (5)H31A—C31—H31C109.5
C5—C4—Tm172.1 (3)H31B—C31—H31C109.5
C3—C4—Tm176.3 (3)C29—C32—H32A109.5
C5—C4—H4A112.9C29—C32—H32B109.5
C3—C4—H4A112.9H32A—C32—H32B109.5
Tm1—C4—H4A134.4C29—C32—H32C109.5
C6—C5—C4135.1 (5)H32A—C32—H32C109.5
C6—C5—Tm175.1 (3)H32B—C32—H32C109.5
C4—C5—Tm175.3 (3)C34—C33—O1110.2 (12)
C6—C5—H5A112.5C34—C33—C34A21.4 (15)
C4—C5—H5A112.5O1—C33—C34A99.9 (12)
Tm1—C5—H5A132.0C34—C33—H33A109.6
C7—C6—C5135.0 (5)O1—C33—H33A109.6
C7—C6—Tm174.9 (3)C34A—C33—H33A97.1
C5—C6—Tm172.4 (3)C34—C33—H33B109.6
C7—C6—H6A112.5O1—C33—H33B109.6
C5—C6—H6A112.5C34A—C33—H33B130.9
Tm1—C6—H6A137.5H33A—C33—H33B108.1
C6—C7—C8135.2 (4)C33—C34—C3599.6 (15)
C6—C7—Tm173.2 (2)C33—C34—H34A111.9
C8—C7—Tm173.6 (2)C35—C34—H34A111.9
C6—C7—H7A112.4C33—C34—H34B111.9
C8—C7—H7A112.4C35—C34—H34B111.9
Tm1—C7—H7A138.4H34A—C34—H34B109.6
C7—C8—C1135.6 (4)C35—C34A—C33114 (2)
C7—C8—Tm174.4 (3)C35—C34A—H34C108.7
C1—C8—Tm174.3 (2)C33—C34A—H34C108.7
C7—C8—H8A112.2C35—C34A—H34D108.7
C1—C8—H8A112.2C33—C34A—H34D108.7
Tm1—C8—H8A135.6H34C—C34A—H34D107.6
C14—C9—C10115.3 (3)C34A—C35—C36108.8 (17)
C14—C9—Tm1110.8 (3)C34A—C35—C3415 (3)
C10—C9—Tm1133.5 (3)C36—C35—C34100.4 (10)
C11—C10—C9121.9 (4)C34A—C35—H35A97.0
C11—C10—C24118.5 (4)C36—C35—H35A111.7
C9—C10—C24119.6 (3)C34—C35—H35A111.7
C12—C11—C10120.9 (4)C34A—C35—H35B117.3
C12—C11—H11A119.5C36—C35—H35B111.7
C10—C11—H11A119.5C34—C35—H35B111.7
C13—C12—C11120.0 (4)H35A—C35—H35B109.5
C13—C12—H12A120.0O1—C36—C35104.6 (4)
C11—C12—H12A120.0O1—C36—H36A110.8
C12—C13—C14119.6 (4)C35—C36—H36A110.8
C12—C13—H13A120.2O1—C36—H36B110.8
C14—C13—H13A120.2C35—C36—H36B110.8
C13—C14—C9122.3 (4)H36A—C36—H36B108.9
 

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