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trans-[WCl2(dppe)2] [dppe is ethane-1,2-diyl­bis­(di­phenyl­phosphine), C26H24P2] was formed as by-product in the reaction of trans-[W(dppe)2(N2)2] with the m-ter­phenyl­tin(II) chloride, [Sn(Cl)(C6H3-2,6-Mes2)]2 (Mes is 2,4,6-tri­methyl­phenyl), which yields mainly the stannyl­idyne complex trans-[Cl(dppe)2W[triple bond]Sn—C6H3-2,6-Mes2]. The crystal structure of the ­pentane hemisolvate, trans-[WCl2(dppe)2]·0.5C5H12, has been determined. The geometric parameters of the title compound are compared with those of trans-[MoCl2(dppe)2]·0.5C5H12.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536803014193/lh6071sup1.cif
Contains datablocks global, 4a

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536803014193/lh60714asup2.hkl
Contains datablock 4a

CCDC reference: 221630

Key indicators

  • Single-crystal X-ray study
  • T = 180 K
  • Mean [sigma](C-C) = 0.008 Å
  • Disorder in solvent or counterion
  • R factor = 0.036
  • wR factor = 0.084
  • Data-to-parameter ratio = 15.3

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


Yellow Alert Alert Level C:
PLAT_302 Alert C Anion/Solvent Disorder ......................... 50.00 Perc.
0 Alert Level A = Potentially serious problem
0 Alert Level B = Potential problem
1 Alert Level C = Please check

Computing details top

Data collection: IPDS2.87 (Stoe & Cie, 1997); cell refinement: IPDS2.87; data reduction: IPDS2.87; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: DIAMOND2.1c (Brandenburg, 1999); software used to prepare material for publication: SHELXL97.

trans-Dichlorobis[ethane-1,2-diylbis(diphenylphophine)-κ2P,P']tungsten(II) hemipentane solvate top
Crystal data top
[WCl2(C26H24P2)2]·0.5C5H12F(000) = 4392
Mr = 1087.61Dx = 1.514 Mg m3
Monoclinic, C2/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2ycCell parameters from 1723 reflections
a = 49.230 (13) Åθ = 3.0–25.0°
b = 10.955 (2) ŵ = 2.70 mm1
c = 17.937 (4) ÅT = 180 K
β = 99.49 (3)°Plate, yellow
V = 9542 (4) Å30.24 × 0.20 × 0.08 mm
Z = 8
Data collection top
Stoe IPDS
diffractometer
8465 independent reflections
Radiation source: fine-focus sealed X-ray tube6743 reflections with I > 2σ(I)
Planar graphite monochromatorRint = 0.056
Detector resolution: 6.667 pixels mm-1θmax = 25.5°, θmin = 2.2°
φ–oscill., φ–incr. = 1.3°, 185 exposures scansh = 5959
Absorption correction: part of the refinement model (ΔF)
(Walker & Stuart, 1983)
k = 1313
Tmin = 0.563, Tmax = 0.813l = 2121
32126 measured reflections
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.036H-atom parameters constrained
wR(F2) = 0.084 w = 1/[σ2(Fo2) + (0.0538P)2]
where P = (Fo2 + 2Fc2)/3
S = 0.95(Δ/σ)max = 0.029
8465 reflectionsΔρmax = 1.39 e Å3
553 parametersΔρmin = 2.54 e Å3
11 restraintsExtinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methodsExtinction coefficient: 0.00009 (2)
Special details top

Experimental. During data collection the crystal was in cold N2 gas of a cryostream cooler (Oxford Cryosystems).

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. It is remarkable that the pentane solvent molecule of (4α) could not be localized in the difference map until the absorption correction was carried out. The calculation was carried out with ABSCORE (Stoe & Cie, 1997), a modification of DIFABS (Walker & Stuart, 1983). In contrast to DIFABS, ABSCORE loads and provides F2 instead of F values. For a better convergence in the following least-squares cycles, geometrical restraints had to be applied to the disordered solvent, which could only be refined isotropicaly.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
C10.38687 (10)0.5703 (4)1.1446 (3)0.0232 (10)
H1A0.38200.57161.19600.028*
H1B0.39670.49281.13870.028*
C20.40592 (9)0.6776 (4)1.1360 (3)0.0225 (10)
H2A0.42370.66771.17050.027*
H2B0.39740.75511.14860.027*
C30.35449 (9)0.7141 (4)0.7625 (3)0.0195 (10)
H3A0.35810.75180.71490.023*
H3B0.35630.62460.75790.023*
C40.32507 (9)0.7453 (4)0.7743 (3)0.0207 (10)
H4A0.31180.69740.73830.025*
H4B0.32150.83290.76340.025*
C50.32991 (9)0.6493 (4)1.1263 (3)0.0185 (10)
C60.31244 (9)0.7420 (4)1.0924 (3)0.0217 (10)
H60.31250.76361.04110.026*
C70.29512 (10)0.8020 (4)1.1338 (3)0.0266 (11)
H70.28350.86561.11110.032*
C80.29471 (10)0.7698 (4)1.2079 (3)0.0289 (12)
H80.28290.81161.23610.035*
C90.31155 (10)0.6762 (4)1.2413 (3)0.0260 (11)
H90.31110.65331.29210.031*
C100.32903 (10)0.6166 (4)1.2003 (3)0.0226 (10)
H100.34050.55271.22320.027*
C110.34450 (10)0.4135 (4)1.0710 (3)0.0209 (10)
C120.31864 (10)0.3756 (4)1.0833 (3)0.0231 (10)
H120.30570.43421.09460.028*
C130.31167 (11)0.2520 (4)1.0793 (3)0.0301 (12)
H130.29390.22701.08740.036*
C140.33057 (13)0.1650 (4)1.0635 (3)0.0341 (13)
H140.32590.08081.06100.041*
C150.35614 (14)0.2033 (4)1.0518 (3)0.0356 (13)
H150.36920.14431.04160.043*
C160.36331 (11)0.3256 (4)1.0544 (3)0.0261 (11)
H160.38100.34991.04490.031*
C170.43762 (9)0.5592 (4)1.0387 (3)0.0233 (10)
C180.43203 (11)0.4544 (5)0.9945 (3)0.0324 (12)
H180.41460.44500.96320.039*
C190.45199 (12)0.3633 (5)0.9959 (4)0.0458 (16)
H190.44810.29260.96540.055*
C200.47720 (12)0.3756 (6)1.0413 (4)0.0498 (18)
H200.49060.31311.04240.060*
C210.48299 (11)0.4781 (5)1.0852 (4)0.0409 (15)
H210.50050.48671.11610.049*
C220.46336 (10)0.5694 (5)1.0846 (4)0.0346 (13)
H220.46750.63941.11570.042*
C230.43309 (9)0.8166 (4)1.0323 (3)0.0265 (11)
C240.45031 (10)0.8185 (5)0.9777 (4)0.0333 (13)
H240.45200.74760.94830.040*
C250.46502 (11)0.9238 (5)0.9660 (4)0.0470 (17)
H250.47650.92510.92840.056*
C260.46275 (12)1.0265 (5)1.0097 (5)0.0515 (19)
H260.47291.09791.00230.062*
C270.44586 (13)1.0260 (5)1.0638 (4)0.0505 (18)
H270.44441.09701.09330.061*
C280.43089 (11)0.9208 (4)1.0753 (4)0.0349 (13)
H280.41920.92061.11250.042*
C290.41222 (10)0.7247 (4)0.8089 (3)0.0252 (11)
C300.41998 (11)0.6019 (5)0.8131 (3)0.0318 (12)
H300.40930.54460.83540.038*
C310.44294 (11)0.5629 (6)0.7853 (4)0.0443 (15)
H310.44760.47870.78680.053*
C320.45922 (12)0.6462 (7)0.7553 (4)0.0526 (18)
H320.47510.61910.73630.063*
C330.45252 (14)0.7687 (8)0.7527 (5)0.063 (2)
H330.46390.82590.73280.076*
C340.42901 (12)0.8083 (6)0.7794 (4)0.0463 (16)
H340.42440.89260.77750.056*
C350.37959 (9)0.9362 (4)0.8282 (3)0.0196 (10)
C360.39137 (10)1.0112 (4)0.8885 (3)0.0258 (11)
H360.39940.97580.93540.031*
C370.39130 (11)1.1381 (4)0.8794 (3)0.0313 (12)
H370.39941.18900.91990.038*
C380.37941 (12)1.1895 (4)0.8110 (4)0.0362 (13)
H380.37921.27570.80520.043*
C390.36794 (11)1.1164 (4)0.7513 (3)0.0323 (12)
H390.36001.15220.70450.039*
C400.36805 (10)0.9897 (4)0.7599 (3)0.0264 (11)
H400.36020.93950.71870.032*
C410.29821 (9)0.8438 (4)0.8909 (3)0.0179 (9)
C420.30870 (10)0.9624 (4)0.8843 (3)0.0216 (10)
H420.32610.97360.86920.026*
C430.29329 (11)1.0632 (4)0.9001 (3)0.0276 (11)
H430.30021.14320.89450.033*
C440.26828 (11)1.0483 (4)0.9236 (3)0.0327 (12)
H440.25811.11790.93460.039*
C450.25778 (11)0.9315 (4)0.9315 (3)0.0321 (12)
H450.24050.92120.94790.038*
C460.27282 (10)0.8301 (4)0.9151 (3)0.0246 (10)
H460.26570.75060.92030.030*
C470.29343 (9)0.5885 (4)0.8573 (3)0.0165 (9)
C480.27319 (9)0.5806 (4)0.7934 (3)0.0240 (11)
H480.27240.64060.75490.029*
C490.25388 (10)0.4853 (4)0.7850 (3)0.0258 (11)
H490.24040.48040.74060.031*
C500.25449 (10)0.3986 (4)0.8411 (3)0.0269 (11)
H500.24130.33440.83580.032*
C510.27443 (11)0.4058 (4)0.9053 (3)0.0288 (12)
H510.27480.34670.94420.035*
C520.29397 (10)0.4998 (4)0.9130 (3)0.0229 (10)
H520.30780.50300.95670.028*
Cl10.36390 (2)0.48302 (9)0.89323 (7)0.0224 (2)
Cl20.36182 (2)0.87317 (9)1.01853 (7)0.0223 (2)
P10.35457 (2)0.57693 (9)1.07266 (7)0.0161 (2)
P20.41167 (2)0.68045 (10)1.03708 (7)0.0184 (2)
P30.38003 (2)0.76985 (10)0.84188 (7)0.0172 (2)
P40.31954 (2)0.71174 (9)0.87264 (7)0.0150 (2)
W0.365565 (3)0.680222 (13)0.956128 (10)0.01356 (7)
C530.5374 (4)0.821 (2)1.1865 (18)0.131 (10)*0.50
H53A0.54790.88591.16680.197*0.50
H53B0.53060.76331.14580.197*0.50
H53C0.54940.77751.22720.197*0.50
C540.5128 (4)0.8766 (15)1.2177 (13)0.104 (7)*0.50
H54A0.51980.93471.25870.124*0.50
H54B0.50130.92331.17700.124*0.50
C550.4947 (6)0.7809 (17)1.249 (2)0.132 (9)*0.50
H55A0.47820.76591.20980.159*0.50
H55B0.50510.70341.25610.159*0.50
C560.4849 (6)0.814 (3)1.3231 (17)0.178 (13)*0.50
H56A0.49680.88031.34790.213*0.50
H56B0.48750.74221.35690.213*0.50
C570.4547 (10)0.856 (10)1.315 (3)0.55 (6)*0.50
H57A0.45000.87311.36460.827*0.50
H57B0.44260.79071.29030.827*0.50
H57C0.45210.92951.28340.827*0.50
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
C10.025 (2)0.025 (2)0.019 (3)0.0023 (19)0.001 (2)0.0039 (18)
C20.020 (2)0.028 (2)0.017 (3)0.0005 (19)0.0064 (19)0.0001 (19)
C30.027 (2)0.016 (2)0.015 (3)0.0024 (17)0.002 (2)0.0014 (17)
C40.021 (2)0.026 (2)0.015 (3)0.0023 (18)0.002 (2)0.0033 (18)
C50.023 (2)0.014 (2)0.019 (3)0.0019 (16)0.005 (2)0.0057 (17)
C60.021 (2)0.023 (2)0.021 (3)0.0004 (18)0.003 (2)0.0000 (18)
C70.023 (2)0.023 (2)0.033 (3)0.0062 (19)0.002 (2)0.003 (2)
C80.027 (3)0.027 (2)0.035 (3)0.007 (2)0.012 (2)0.002 (2)
C90.033 (3)0.027 (2)0.020 (3)0.001 (2)0.009 (2)0.001 (2)
C100.030 (3)0.012 (2)0.027 (3)0.0021 (18)0.006 (2)0.0031 (18)
C110.036 (3)0.0112 (19)0.016 (3)0.0007 (18)0.007 (2)0.0018 (17)
C120.036 (3)0.016 (2)0.017 (3)0.0009 (19)0.002 (2)0.0030 (18)
C130.041 (3)0.024 (3)0.024 (3)0.013 (2)0.003 (2)0.003 (2)
C140.062 (4)0.016 (2)0.022 (3)0.005 (2)0.001 (3)0.0009 (19)
C150.062 (4)0.020 (3)0.026 (3)0.007 (2)0.012 (3)0.002 (2)
C160.041 (3)0.017 (2)0.023 (3)0.003 (2)0.013 (2)0.0001 (19)
C170.021 (2)0.022 (2)0.026 (3)0.0056 (18)0.004 (2)0.0087 (19)
C180.026 (3)0.027 (3)0.042 (4)0.005 (2)0.003 (2)0.002 (2)
C190.035 (3)0.031 (3)0.072 (5)0.012 (2)0.010 (3)0.002 (3)
C200.034 (3)0.041 (3)0.075 (5)0.021 (3)0.012 (3)0.016 (3)
C210.019 (2)0.045 (3)0.056 (5)0.006 (2)0.003 (3)0.016 (3)
C220.024 (3)0.031 (3)0.046 (4)0.001 (2)0.000 (3)0.009 (2)
C230.017 (2)0.019 (2)0.040 (4)0.0007 (18)0.007 (2)0.008 (2)
C240.022 (2)0.030 (3)0.048 (4)0.003 (2)0.004 (2)0.012 (2)
C250.026 (3)0.038 (3)0.076 (5)0.009 (2)0.003 (3)0.026 (3)
C260.033 (3)0.032 (3)0.083 (6)0.015 (3)0.009 (3)0.021 (3)
C270.045 (4)0.020 (3)0.076 (6)0.009 (2)0.018 (4)0.001 (3)
C280.035 (3)0.025 (3)0.040 (4)0.007 (2)0.010 (3)0.000 (2)
C290.021 (2)0.030 (2)0.025 (3)0.0008 (19)0.006 (2)0.001 (2)
C300.030 (3)0.029 (3)0.036 (4)0.003 (2)0.006 (2)0.005 (2)
C310.028 (3)0.053 (4)0.051 (4)0.012 (3)0.002 (3)0.018 (3)
C320.027 (3)0.092 (5)0.041 (4)0.017 (3)0.012 (3)0.005 (3)
C330.040 (4)0.084 (5)0.073 (6)0.007 (4)0.030 (4)0.025 (4)
C340.037 (3)0.047 (3)0.060 (5)0.006 (3)0.022 (3)0.019 (3)
C350.022 (2)0.018 (2)0.019 (3)0.0038 (17)0.003 (2)0.0028 (17)
C360.031 (3)0.017 (2)0.028 (3)0.0034 (18)0.001 (2)0.0047 (19)
C370.041 (3)0.018 (2)0.034 (4)0.007 (2)0.004 (3)0.005 (2)
C380.053 (3)0.014 (2)0.042 (4)0.001 (2)0.009 (3)0.006 (2)
C390.041 (3)0.022 (2)0.032 (3)0.002 (2)0.002 (3)0.011 (2)
C400.035 (3)0.020 (2)0.023 (3)0.0041 (19)0.002 (2)0.0053 (19)
C410.020 (2)0.016 (2)0.015 (3)0.0004 (16)0.0045 (19)0.0003 (16)
C420.025 (2)0.017 (2)0.021 (3)0.0009 (18)0.001 (2)0.0018 (18)
C430.038 (3)0.015 (2)0.026 (3)0.0002 (19)0.005 (2)0.0040 (18)
C440.041 (3)0.020 (2)0.035 (4)0.009 (2)0.002 (3)0.009 (2)
C450.032 (3)0.028 (3)0.038 (4)0.006 (2)0.009 (3)0.005 (2)
C460.027 (2)0.018 (2)0.028 (3)0.0002 (19)0.005 (2)0.0000 (19)
C470.015 (2)0.0140 (19)0.020 (3)0.0007 (16)0.0043 (19)0.0022 (17)
C480.025 (2)0.017 (2)0.028 (3)0.0003 (18)0.001 (2)0.0032 (19)
C490.020 (2)0.025 (2)0.028 (3)0.0027 (19)0.006 (2)0.004 (2)
C500.024 (2)0.022 (2)0.034 (3)0.0083 (19)0.004 (2)0.008 (2)
C510.033 (3)0.020 (2)0.034 (3)0.008 (2)0.008 (2)0.003 (2)
C520.024 (2)0.026 (2)0.017 (3)0.0044 (18)0.001 (2)0.0010 (18)
Cl10.0301 (6)0.0130 (5)0.0243 (7)0.0009 (4)0.0051 (5)0.0034 (4)
Cl20.0264 (6)0.0128 (5)0.0268 (7)0.0006 (4)0.0019 (5)0.0029 (4)
P10.0195 (5)0.0114 (5)0.0173 (7)0.0008 (4)0.0024 (5)0.0001 (4)
P20.0169 (5)0.0147 (5)0.0227 (7)0.0005 (4)0.0002 (5)0.0027 (5)
P30.0197 (6)0.0119 (5)0.0203 (7)0.0004 (4)0.0036 (5)0.0010 (4)
P40.0180 (5)0.0105 (5)0.0160 (7)0.0003 (4)0.0016 (5)0.0000 (4)
W0.01620 (10)0.00847 (9)0.01562 (12)0.00015 (7)0.00152 (7)0.00036 (7)
Geometric parameters (Å, º) top
C1—C21.528 (6)C30—H300.9500
C1—P11.877 (5)C31—C321.381 (9)
C1—H1A0.9900C31—H310.9500
C1—H1B0.9900C32—C331.381 (10)
C2—P21.842 (5)C32—H320.9500
C2—H2A0.9900C33—C341.393 (9)
C2—H2B0.9900C33—H330.9500
C3—C41.536 (6)C34—H340.9500
C3—P31.841 (5)C35—C401.393 (7)
C3—H3A0.9900C35—C361.405 (7)
C3—H3B0.9900C35—P31.838 (4)
C4—P41.865 (5)C36—C371.400 (7)
C4—H4A0.9900C36—H360.9500
C4—H4B0.9900C37—C381.388 (8)
C5—C101.383 (7)C37—H370.9500
C5—C61.403 (7)C38—C391.381 (8)
C5—P11.848 (4)C38—H380.9500
C6—C71.386 (7)C39—C401.397 (6)
C6—H60.9500C39—H390.9500
C7—C81.377 (8)C40—H400.9500
C7—H70.9500C41—C461.396 (7)
C8—C91.390 (7)C41—C421.411 (6)
C8—H80.9500C41—P41.848 (4)
C9—C101.385 (7)C42—C431.395 (6)
C9—H90.9500C42—H420.9500
C10—H100.9500C43—C441.376 (8)
C11—C121.391 (7)C43—H430.9500
C11—C161.402 (6)C44—C451.396 (7)
C11—P11.857 (4)C44—H440.9500
C12—C131.396 (6)C45—C461.393 (7)
C12—H120.9500C45—H450.9500
C13—C141.394 (8)C46—H460.9500
C13—H130.9500C47—C521.390 (6)
C14—C151.376 (8)C47—C481.393 (7)
C14—H140.9500C47—P41.854 (4)
C15—C161.385 (7)C48—C491.403 (6)
C15—H150.9500C48—H480.9500
C16—H160.9500C49—C501.382 (7)
C17—C221.397 (7)C49—H490.9500
C17—C181.397 (7)C50—C511.386 (8)
C17—P21.840 (4)C50—H500.9500
C18—C191.398 (7)C51—C521.400 (6)
C18—H180.9500C51—H510.9500
C19—C201.374 (9)C52—H520.9500
C19—H190.9500Cl1—W2.4324 (11)
C20—C211.374 (10)Cl2—W2.4131 (11)
C20—H200.9500P1—W2.5130 (13)
C21—C221.389 (7)P2—W2.4847 (14)
C21—H210.9500P3—W2.4803 (13)
C22—H220.9500P4—W2.5251 (15)
C23—C281.391 (8)C53—C541.543 (5)
C23—C241.397 (8)C53—H53A0.9800
C23—P21.837 (5)C53—H53B0.9800
C24—C251.396 (7)C53—H53C0.9800
C24—H240.9500C54—C551.538 (5)
C25—C261.386 (10)C54—H54A0.9900
C25—H250.9500C54—H54B0.9900
C26—C271.378 (10)C55—C561.536 (5)
C26—H260.9500C55—H55A0.9900
C27—C281.402 (7)C55—H55B0.9900
C27—H270.9500C56—C571.541 (5)
C28—H280.9500C56—H56A0.9900
C29—C341.395 (7)C56—H56B0.9900
C29—C301.397 (7)C57—H57A0.9800
C29—P31.848 (5)C57—H57B0.9800
C30—C311.376 (7)C57—H57C0.9800
C2—C1—P1111.4 (3)C35—C36—H36120.1
C2—C1—H1A109.4C38—C37—C36119.9 (5)
P1—C1—H1A109.4C38—C37—H37120.1
C2—C1—H1B109.4C36—C37—H37120.1
P1—C1—H1B109.4C39—C38—C37120.6 (4)
H1A—C1—H1B108.0C39—C38—H38119.7
C1—C2—P2107.8 (3)C37—C38—H38119.7
C1—C2—H2A110.1C38—C39—C40119.8 (5)
P2—C2—H2A110.1C38—C39—H39120.1
C1—C2—H2B110.1C40—C39—H39120.1
P2—C2—H2B110.1C35—C40—C39120.6 (5)
H2A—C2—H2B108.5C35—C40—H40119.7
C4—C3—P3111.0 (3)C39—C40—H40119.7
C4—C3—H3A109.4C46—C41—C42118.9 (4)
P3—C3—H3A109.4C46—C41—P4122.4 (3)
C4—C3—H3B109.4C42—C41—P4118.6 (3)
P3—C3—H3B109.4C43—C42—C41119.5 (4)
H3A—C3—H3B108.0C43—C42—H42120.2
C3—C4—P4112.0 (3)C41—C42—H42120.2
C3—C4—H4A109.2C44—C43—C42120.9 (4)
P4—C4—H4A109.2C44—C43—H43119.6
C3—C4—H4B109.2C42—C43—H43119.6
P4—C4—H4B109.2C43—C44—C45120.3 (4)
H4A—C4—H4B107.9C43—C44—H44119.8
C10—C5—C6119.3 (4)C45—C44—H44119.8
C10—C5—P1121.1 (3)C46—C45—C44119.4 (5)
C6—C5—P1119.6 (4)C46—C45—H45120.3
C7—C6—C5119.9 (5)C44—C45—H45120.3
C7—C6—H6120.0C45—C46—C41121.0 (4)
C5—C6—H6120.0C45—C46—H46119.5
C8—C7—C6120.2 (4)C41—C46—H46119.5
C8—C7—H7119.9C52—C47—C48118.3 (4)
C6—C7—H7119.9C52—C47—P4118.2 (4)
C7—C8—C9120.2 (4)C48—C47—P4123.5 (3)
C7—C8—H8119.9C47—C48—C49121.0 (4)
C9—C8—H8119.9C47—C48—H48119.5
C10—C9—C8119.8 (5)C49—C48—H48119.5
C10—C9—H9120.1C50—C49—C48120.0 (5)
C8—C9—H9120.1C50—C49—H49120.0
C5—C10—C9120.5 (4)C48—C49—H49120.0
C5—C10—H10119.7C49—C50—C51119.6 (4)
C9—C10—H10119.7C49—C50—H50120.2
C12—C11—C16118.9 (4)C51—C50—H50120.2
C12—C11—P1122.3 (3)C50—C51—C52120.3 (5)
C16—C11—P1118.8 (4)C50—C51—H51119.9
C11—C12—C13120.3 (5)C52—C51—H51119.9
C11—C12—H12119.8C47—C52—C51120.8 (5)
C13—C12—H12119.8C47—C52—H52119.6
C14—C13—C12120.5 (5)C51—C52—H52119.6
C14—C13—H13119.8C5—P1—C11103.0 (2)
C12—C13—H13119.8C5—P1—C1102.3 (2)
C15—C14—C13118.8 (4)C11—P1—C199.6 (2)
C15—C14—H14120.6C5—P1—W119.33 (15)
C13—C14—H14120.6C11—P1—W120.95 (15)
C14—C15—C16121.6 (5)C1—P1—W108.39 (15)
C14—C15—H15119.2C23—P2—C17100.6 (2)
C16—C15—H15119.2C23—P2—C2103.9 (2)
C15—C16—C11119.9 (5)C17—P2—C2100.9 (2)
C15—C16—H16120.0C23—P2—W116.71 (16)
C11—C16—H16120.0C17—P2—W125.01 (17)
C22—C17—C18118.4 (4)C2—P2—W106.98 (15)
C22—C17—P2120.8 (4)C35—P3—C3103.5 (2)
C18—C17—P2120.9 (4)C35—P3—C29102.4 (2)
C19—C18—C17120.3 (5)C3—P3—C29100.1 (2)
C19—C18—H18119.9C35—P3—W120.25 (15)
C17—C18—H18119.9C3—P3—W104.79 (15)
C20—C19—C18120.3 (6)C29—P3—W122.46 (17)
C20—C19—H19119.8C41—P4—C47101.30 (19)
C18—C19—H19119.8C41—P4—C4100.9 (2)
C19—C20—C21120.1 (5)C47—P4—C4102.1 (2)
C19—C20—H20120.0C41—P4—W118.83 (15)
C21—C20—H20120.0C47—P4—W121.39 (15)
C20—C21—C22120.4 (5)C4—P4—W109.34 (15)
C20—C21—H21119.8Cl2—W—Cl1173.65 (4)
C22—C21—H21119.8Cl2—W—P395.21 (4)
C21—C22—C17120.6 (5)Cl1—W—P387.74 (4)
C21—C22—H22119.7Cl2—W—P281.97 (4)
C17—C22—H22119.7Cl1—W—P2103.27 (4)
C28—C23—C24119.2 (5)P3—W—P297.09 (5)
C28—C23—P2122.8 (4)Cl2—W—P188.01 (4)
C24—C23—P2117.7 (4)Cl1—W—P189.45 (4)
C25—C24—C23120.5 (6)P3—W—P1174.87 (4)
C25—C24—H24119.8P2—W—P179.37 (4)
C23—C24—H24119.8Cl2—W—P491.47 (4)
C26—C25—C24119.6 (6)Cl1—W—P483.58 (4)
C26—C25—H25120.2P3—W—P478.91 (4)
C24—C25—H25120.2P2—W—P4172.02 (4)
C27—C26—C25120.6 (5)P1—W—P4105.05 (4)
C27—C26—H26119.7C54—C53—H53A109.5
C25—C26—H26119.7C54—C53—H53B109.5
C26—C27—C28120.0 (6)H53A—C53—H53B109.5
C26—C27—H27120.0C54—C53—H53C109.5
C28—C27—H27120.0H53A—C53—H53C109.5
C23—C28—C27120.1 (6)H53B—C53—H53C109.5
C23—C28—H28119.9C55—C54—C53113.4 (8)
C27—C28—H28119.9C55—C54—H54A108.9
C34—C29—C30118.6 (5)C53—C54—H54A108.9
C34—C29—P3122.6 (4)C55—C54—H54B108.9
C30—C29—P3118.8 (4)C53—C54—H54B108.9
C31—C30—C29120.9 (5)H54A—C54—H54B107.7
C31—C30—H30119.6C56—C55—C54115.8 (8)
C29—C30—H30119.6C56—C55—H55A108.4
C30—C31—C32120.0 (6)C54—C55—H55A108.4
C30—C31—H31120.0C56—C55—H55B108.3
C32—C31—H31120.0C54—C55—H55B108.3
C31—C32—C33120.3 (5)H55A—C55—H55B107.4
C31—C32—H32119.9C55—C56—C57114.8 (8)
C33—C32—H32119.9C55—C56—H56A108.6
C32—C33—C34119.9 (6)C57—C56—H56A108.6
C32—C33—H33120.0C55—C56—H56B108.6
C34—C33—H33120.0C57—C56—H56B108.5
C33—C34—C29120.2 (6)H56A—C56—H56B107.5
C33—C34—H34119.9C56—C57—H57A109.5
C29—C34—H34119.9C56—C57—H57B109.6
C40—C35—C36119.2 (4)H57A—C57—H57B109.5
C40—C35—P3121.9 (4)C56—C57—H57C109.4
C36—C35—P3118.9 (4)H57A—C57—H57C109.5
C37—C36—C35119.9 (5)H57B—C57—H57C109.5
C37—C36—H36120.1
P1—C1—C2—P253.5 (4)C18—C17—P2—C23136.0 (4)
P3—C3—C4—P444.9 (4)C22—C17—P2—C262.1 (4)
C10—C5—C6—C71.8 (7)C18—C17—P2—C2117.5 (4)
P1—C5—C6—C7175.9 (4)C22—C17—P2—W178.0 (3)
C5—C6—C7—C80.9 (7)C18—C17—P2—W2.4 (5)
C6—C7—C8—C90.4 (8)C1—C2—P2—C23177.1 (3)
C7—C8—C9—C100.9 (8)C1—C2—P2—C1779.0 (3)
C6—C5—C10—C91.3 (7)C1—C2—P2—W53.1 (3)
P1—C5—C10—C9176.3 (4)C40—C35—P3—C316.3 (4)
C8—C9—C10—C50.0 (7)C36—C35—P3—C3164.1 (4)
C16—C11—C12—C130.1 (7)C40—C35—P3—C2987.5 (4)
P1—C11—C12—C13178.1 (4)C36—C35—P3—C2992.1 (4)
C11—C12—C13—C140.5 (8)C40—C35—P3—W132.6 (4)
C12—C13—C14—C150.2 (8)C36—C35—P3—W47.7 (4)
C13—C14—C15—C160.8 (9)C4—C3—P3—C3572.3 (3)
C14—C15—C16—C111.4 (9)C4—C3—P3—C29177.8 (3)
C12—C11—C16—C151.1 (8)C4—C3—P3—W54.6 (3)
P1—C11—C16—C15179.1 (4)C34—C29—P3—C352.4 (6)
C22—C17—C18—C190.7 (8)C30—C29—P3—C35178.1 (4)
P2—C17—C18—C19179.7 (5)C34—C29—P3—C3104.1 (5)
C17—C18—C19—C200.5 (9)C30—C29—P3—C375.5 (5)
C18—C19—C20—C210.5 (10)C34—C29—P3—W141.0 (5)
C19—C20—C21—C220.7 (10)C30—C29—P3—W39.4 (5)
C20—C21—C22—C170.9 (9)C46—C41—P4—C4721.4 (5)
C18—C17—C22—C210.9 (8)C42—C41—P4—C47162.2 (4)
P2—C17—C22—C21179.5 (4)C46—C41—P4—C4126.2 (4)
C28—C23—C24—C250.4 (8)C42—C41—P4—C457.4 (4)
P2—C23—C24—C25173.6 (4)C46—C41—P4—W114.3 (4)
C23—C24—C25—C260.9 (9)C42—C41—P4—W62.1 (4)
C24—C25—C26—C270.8 (9)C52—C47—P4—C41108.3 (4)
C25—C26—C27—C280.3 (10)C48—C47—P4—C4171.2 (4)
C24—C23—C28—C270.1 (8)C52—C47—P4—C4147.8 (4)
P2—C23—C28—C27173.7 (4)C48—C47—P4—C432.7 (4)
C26—C27—C28—C230.1 (9)C52—C47—P4—W26.0 (4)
C34—C29—C30—C313.2 (9)C48—C47—P4—W154.5 (3)
P3—C29—C30—C31176.3 (5)C3—C4—P4—C41140.6 (3)
C29—C30—C31—C322.4 (9)C3—C4—P4—C47115.2 (3)
C30—C31—C32—C330.2 (10)C3—C4—P4—W14.6 (3)
C31—C32—C33—C341.0 (12)C35—P3—W—Cl27.75 (18)
C32—C33—C34—C290.1 (12)C3—P3—W—Cl2123.49 (15)
C30—C29—C34—C332.0 (10)C29—P3—W—Cl2123.9 (2)
P3—C29—C34—C33177.6 (6)C35—P3—W—Cl1166.61 (18)
C40—C35—C36—C370.3 (7)C3—P3—W—Cl150.88 (15)
P3—C35—C36—C37179.9 (4)C29—P3—W—Cl161.7 (2)
C35—C36—C37—C380.5 (8)C35—P3—W—P290.29 (18)
C36—C37—C38—C390.9 (8)C3—P3—W—P2153.98 (15)
C37—C38—C39—C400.6 (8)C29—P3—W—P241.4 (2)
C36—C35—C40—C390.5 (7)C35—P3—W—P482.72 (18)
P3—C35—C40—C39179.8 (4)C3—P3—W—P433.01 (15)
C38—C39—C40—C350.1 (8)C29—P3—W—P4145.6 (2)
C46—C41—C42—C431.5 (7)C23—P2—W—Cl252.5 (2)
P4—C41—C42—C43178.1 (4)C17—P2—W—Cl2179.69 (19)
C41—C42—C43—C441.4 (8)C2—P2—W—Cl263.21 (16)
C42—C43—C44—C450.5 (8)C23—P2—W—Cl1131.1 (2)
C43—C44—C45—C460.2 (8)C17—P2—W—Cl13.94 (19)
C44—C45—C46—C410.1 (8)C2—P2—W—Cl1113.16 (16)
C42—C41—C46—C450.8 (8)C23—P2—W—P341.8 (2)
P4—C41—C46—C45177.2 (4)C17—P2—W—P385.40 (19)
C52—C47—C48—C490.3 (7)C2—P2—W—P3157.50 (16)
P4—C47—C48—C49179.8 (4)C23—P2—W—P1142.0 (2)
C47—C48—C49—C501.0 (7)C17—P2—W—P190.84 (19)
C48—C49—C50—C510.6 (7)C2—P2—W—P126.26 (16)
C49—C50—C51—C520.4 (8)C5—P1—W—Cl235.71 (17)
C48—C47—C52—C510.8 (7)C11—P1—W—Cl2165.40 (19)
P4—C47—C52—C51178.7 (4)C1—P1—W—Cl280.70 (16)
C50—C51—C52—C471.2 (7)C5—P1—W—Cl1138.47 (17)
C10—C5—P1—C1161.3 (4)C11—P1—W—Cl18.78 (19)
C6—C5—P1—C11121.0 (4)C1—P1—W—Cl1105.12 (16)
C10—C5—P1—C141.8 (4)C5—P1—W—P2117.92 (17)
C6—C5—P1—C1135.9 (4)C11—P1—W—P2112.39 (19)
C10—C5—P1—W161.4 (3)C1—P1—W—P21.51 (16)
C6—C5—P1—W16.3 (4)C5—P1—W—P455.27 (17)
C12—C11—P1—C520.3 (5)C11—P1—W—P474.42 (19)
C16—C11—P1—C5161.8 (4)C1—P1—W—P4171.68 (16)
C12—C11—P1—C1125.4 (4)C41—P4—W—Cl26.97 (17)
C16—C11—P1—C156.6 (4)C47—P4—W—Cl2133.68 (17)
C12—C11—P1—W116.2 (4)C4—P4—W—Cl2108.03 (16)
C16—C11—P1—W61.8 (4)C41—P4—W—Cl1169.06 (17)
C2—C1—P1—C597.1 (4)C47—P4—W—Cl142.35 (17)
C2—C1—P1—C11157.2 (3)C4—P4—W—Cl175.94 (16)
C2—C1—P1—W29.9 (4)C41—P4—W—P3101.99 (17)
C28—C23—P2—C17136.6 (4)C47—P4—W—P3131.30 (17)
C24—C23—P2—C1749.6 (5)C4—P4—W—P313.01 (16)
C28—C23—P2—C232.5 (5)C41—P4—W—P181.36 (17)
C24—C23—P2—C2153.8 (4)C47—P4—W—P145.35 (17)
C28—C23—P2—W85.0 (5)C4—P4—W—P1163.64 (16)
C24—C23—P2—W88.8 (4)C53—C54—C55—C56138 (3)
C22—C17—P2—C2344.4 (5)C54—C55—C56—C57103 (5)
 

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