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Acta Crystallogr Sect E Struct Rep Online. 2010 February 1; 66(Pt 2): m147.
Published online 2010 January 13. doi:  10.1107/S1600536810000206
PMCID: PMC2979904

Bis(μ2-phenyl­tellurolato)bis­(phenyl­tellurolato)tetra-μ3-tellurido-hexa­kis(triphenyl­phosphine)hexa­palladium(II) benzene nona­solvate

Abstract

The centrosymmetric title complex, [Pd6(C6H5Te)4Te4(C18H15P)6]·9C6H6, contains two Pd3Te2 cores that are joined into a cyclic hexa­nuclear complex by two bridging PhTe groups. Each PdII atom is coordinated by one triphenyl­phosphine ligand, one phenyl­tellurolate mol­ecule and two telluride ligands: two of the PhTe ligands act as terminal ligands and two as bridging ligands. The three distinct PdII atoms each show a slightly distorted PdPTe3 square-planar coordination. The asymmetric unit also contains four and a half benzene solvent mol­ecules. Two of the benzene mol­ecules are disordered: one mol­ecule is distributed over two positions with site-occupancy factors of 0.529 (7) and 0.471 (7), while the other occupies two orientations about a centre of symmetry.

Related literature

For related complexes with a similar hexa­nuclear Pd6Te6 core, see: Oilunkaniemi et al. (2000 [triangle], 2001 [triangle]); Brennan et al. (1990 [triangle]).

An external file that holds a picture, illustration, etc.
Object name is e-66-0m147-scheme1.jpg

Experimental

Crystal data

  • [Pd6(C6H5Te)4Te4(C18H15P)6]·9C6H6
  • M r = 4244.19
  • Triclinic, An external file that holds a picture, illustration, etc.
Object name is e-66-0m147-efi1.jpg
  • a = 16.8836 (3) Å
  • b = 17.2857 (3) Å
  • c = 18.1216 (3) Å
  • α = 81.908 (1)°
  • β = 62.385 (1)°
  • γ = 61.471 (1)°
  • V = 4095.06 (12) Å3
  • Z = 1
  • Mo Kα radiation
  • μ = 2.15 mm−1
  • T = 120 K
  • 0.25 × 0.15 × 0.15 mm

Data collection

  • Nonius KappaCCD diffractometer
  • Absorption correction: multi-scan (SHELXTL; Sheldrick, 2008 [triangle]) T min = 0.615, T max = 0.738
  • 79007 measured reflections
  • 16088 independent reflections
  • 12698 reflections with I > 2σ(I)
  • R int = 0.068

Refinement

  • R[F 2 > 2σ(F 2)] = 0.031
  • wR(F 2) = 0.062
  • S = 1.02
  • 16088 reflections
  • 938 parameters
  • H-atom parameters constrained
  • Δρmax = 0.66 e Å−3
  • Δρmin = −0.93 e Å−3

Data collection: COLLECT (Nonius, 1998 [triangle]); cell refinement: DENZO-SMN (Otwinowski & Minor, 1997 [triangle]); data reduction: DENZO-SMN; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 [triangle]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 [triangle]); molecular graphics: DIAMOND (Brandenburg & Berndt, 1999 [triangle]); software used to prepare material for publication: WinGX (Farrugia, 1999 [triangle]).

Table 1
Selected bond lengths (Å)

Supplementary Material

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536810000206/hb5293sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536810000206/hb5293Isup2.hkl

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

Acknowledgments

Financial support from the Academy of Finland is gratefully acknowledged.

supplementary crystallographic information

Comment

The structure of (I) (Fig. 1), is composed of two Pd3Te2 fragments joined together into a cyclic hexanuclear complex by two bridging PhTe- ligands. A similar hexanuclear structure has been reported for [Pd6Te4{Te(C4H3S)}4(PPh3)6] (Oilunkaniemi et al., 2000). The compound (I) also shows the same Pd3Te2 framework as [Pd6Cl2Te4(TePh)2(PPh3)6] (Oilunkaniemi et al., 2001), [Pd6Cl2Te4{Te(C4H3S)}2(PPh3)6] (Oilunkaniemi et al., 2000), and [Pd6Te6(PEt3)8] (Brennan et al., 1990).

The packing of the molecules is shown in Fig. 2. The lattice shows layers of solvent molecules (35% of the cell volume is occupied by the solvent) some of which are disordered that separate layers containing the complex molecules.

Experimental

Ph2Te2 (0.185 g, 0.452 mmol) in 5 ml of methanol was treated with NaBH4 until the solution became colourless. The solution was added to a suspension of [PdCl2(PPh3)2] (0.298 g, 0.425 mmol) in 10 ml benzene. The reaction mixture was stirred overnight at room temperature. Volatile materials were removed under dynamic vacuum and the residue was dissolved in benzene (10 ml). After filtration the solution was concentrated by partial evaporation of the solvent. A small amount of red plates of (I) were formed upon standing of the solution at room temperature.

Refinement

H atoms were positioned geometrically and treated as riding, with C—H = 0.95 Å and with Uiso(H) = 1.2Ueq(C). The site occupancy factors of one of the two disordered benzene molecules were refined by constraining the anisotropic displacement factors in the disordered pairs of carbon atoms as equal. The other disordered molecule occupies two orientations about the centre of symmetry and therefore its site occupancy factor was fixed at 0.5.

Figures

Fig. 1.
The molecular structure of (I) showing 50% displacement ellipsoids. All hydrogen atoms and the solvent molecules are omitted for clarity.
Fig. 2.
The packing of the molecules showing the alternating layers of the complex and that of the solvent molecules. Some of the benzene molecules are disordered.

Crystal data

[Pd6(C6H5Te)4Te4(C18H15P)6]·9C6H6Z = 1
Mr = 4244.19F(000) = 2062
Triclinic, P1Dx = 1.721 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 16.8836 (3) ÅCell parameters from 12698 reflections
b = 17.2857 (3) Åθ = 2.8–26.0°
c = 18.1216 (3) ŵ = 2.15 mm1
α = 81.908 (1)°T = 120 K
β = 62.385 (1)°Plate, red
γ = 61.471 (1)°0.25 × 0.15 × 0.15 mm
V = 4095.06 (12) Å3

Data collection

Nonius KappaCCD diffractometer16088 independent reflections
Radiation source: fine-focus sealed tube12698 reflections with I > 2σ(I)
graphiteRint = 0.068
[var phi] scans, and ω scans with κ offsetsθmax = 26.0°, θmin = 2.8°
Absorption correction: ψ scan (SHELXTL; Sheldrick, 2008)h = −20→20
Tmin = 0.615, Tmax = 0.738k = −21→21
79007 measured reflectionsl = −22→22

Refinement

Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.031Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.062H-atom parameters constrained
S = 1.01w = 1/[σ2(Fo2) + (0.0232P)2 + 2.3871P] where P = (Fo2 + 2Fc2)/3
16088 reflections(Δ/σ)max = 0.001
938 parametersΔρmax = 0.66 e Å3
0 restraintsΔρmin = −0.93 e Å3

Special details

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)

xyzUiso*/UeqOcc. (<1)
Pd10.344230 (19)0.152782 (17)0.025197 (17)0.01242 (6)
Pd20.259693 (19)0.173945 (17)0.238351 (18)0.01449 (7)
Pd30.333793 (18)−0.026436 (16)0.110705 (17)0.01212 (6)
Te10.500965 (16)0.175025 (14)−0.081148 (15)0.01468 (6)
Te20.377353 (19)0.160500 (17)0.302342 (18)0.02665 (7)
Te30.425242 (16)0.055640 (14)0.119977 (15)0.01252 (6)
Te40.194736 (16)0.137658 (14)0.150057 (15)0.01342 (6)
P10.25377 (7)0.23743 (6)−0.04461 (6)0.0158 (2)
P20.10855 (7)0.29098 (6)0.32256 (6)0.0172 (2)
P30.23063 (7)−0.07616 (6)0.10816 (6)0.0153 (2)
C110.4876 (2)0.2676 (2)−0.0037 (2)0.0196 (9)
C120.4695 (3)0.3513 (2)−0.0299 (3)0.0258 (10)
H120.46240.3657−0.07980.031*
C130.4617 (3)0.4138 (3)0.0169 (3)0.0347 (11)
H130.44750.4715−0.00020.042*
C140.4744 (3)0.3928 (3)0.0880 (3)0.0365 (12)
H140.47200.43490.11860.044*
C150.4909 (3)0.3097 (3)0.1147 (3)0.0341 (11)
H150.49850.29530.16440.041*
C160.4963 (3)0.2478 (3)0.0693 (3)0.0252 (9)
H160.50610.19140.08860.030*
C210.3106 (3)0.2691 (3)0.3930 (3)0.0272 (10)
C220.3263 (3)0.3421 (3)0.3683 (3)0.0364 (11)
H220.36280.34590.31050.044*
C230.2895 (4)0.4093 (3)0.4264 (3)0.0478 (13)
H230.30030.45930.40810.057*
C240.2374 (4)0.4053 (3)0.5106 (3)0.0466 (13)
H240.21330.45130.55050.056*
C250.2211 (4)0.3336 (3)0.5356 (3)0.0481 (13)
H250.18580.32970.59360.058*
C260.2565 (3)0.2633 (3)0.4753 (2)0.0255 (9)
H260.24240.21490.49260.031*
C1110.3244 (3)0.2180 (2)−0.1592 (2)0.0189 (8)
C1120.3795 (3)0.1300 (3)−0.1946 (3)0.0234 (9)
H1120.38170.0837−0.15920.028*
C1130.4307 (3)0.1097 (3)−0.2804 (3)0.0307 (10)
H1130.46630.0499−0.30360.037*
C1140.4302 (3)0.1762 (3)−0.3325 (3)0.0356 (11)
H1140.46400.1624−0.39150.043*
C1150.3806 (3)0.2624 (3)−0.2985 (3)0.0358 (11)
H1150.38240.3080−0.33440.043*
C1160.3282 (3)0.2835 (3)−0.2126 (3)0.0252 (9)
H1160.29450.3433−0.19000.030*
C1210.1400 (3)0.2302 (2)−0.0226 (2)0.0159 (8)
C1220.1400 (3)0.1772 (2)−0.0733 (2)0.0211 (9)
H1220.20020.1443−0.12250.025*
C1230.0530 (3)0.1717 (3)−0.0527 (3)0.0246 (9)
H1230.05420.1347−0.08780.029*
C124−0.0347 (3)0.2192 (2)0.0177 (3)0.0220 (9)
H124−0.09450.21640.03070.026*
C125−0.0357 (3)0.2711 (2)0.0698 (3)0.0214 (9)
H125−0.09640.30380.11890.026*
C1260.0512 (3)0.2758 (2)0.0509 (2)0.0168 (8)
H1260.05060.31010.08800.020*
C1310.2042 (2)0.3545 (2)−0.0188 (2)0.0166 (8)
C1320.1424 (3)0.4190 (2)−0.0508 (3)0.0248 (9)
H1320.12630.4020−0.08760.030*
C1330.1040 (3)0.5085 (3)−0.0292 (3)0.0312 (10)
H1330.06300.5523−0.05210.037*
C1340.1256 (3)0.5335 (3)0.0252 (3)0.0300 (10)
H1340.09920.59460.03980.036*
C1350.1848 (3)0.4710 (3)0.0584 (3)0.0300 (10)
H1350.19880.48850.09640.036*
C1360.2245 (3)0.3816 (2)0.0362 (2)0.0230 (9)
H1360.26610.33850.05900.028*
C2110.0053 (3)0.3386 (2)0.2928 (2)0.0212 (9)
C212−0.0509 (3)0.2942 (3)0.3064 (2)0.0262 (9)
H212−0.03230.23780.32690.031*
C213−0.1335 (3)0.3326 (3)0.2900 (3)0.0360 (11)
H213−0.17160.30250.30020.043*
C214−0.1610 (3)0.4139 (3)0.2591 (3)0.0386 (12)
H214−0.21860.44030.24910.046*
C215−0.1051 (3)0.4562 (3)0.2431 (3)0.0399 (12)
H215−0.12280.51130.22010.048*
C216−0.0222 (3)0.4197 (3)0.2599 (3)0.0292 (10)
H2160.01560.45030.24890.035*
C2210.0433 (3)0.2723 (2)0.4310 (2)0.0194 (8)
C222−0.0607 (3)0.3235 (2)0.4812 (2)0.0233 (9)
H222−0.10010.37160.45990.028*
C223−0.1062 (3)0.3038 (3)0.5624 (3)0.0285 (10)
H223−0.17690.33880.59630.034*
C224−0.0510 (3)0.2349 (3)0.5945 (3)0.0317 (10)
H224−0.08340.22230.65010.038*
C2250.0520 (3)0.1836 (3)0.5458 (3)0.0337 (10)
H2250.09060.13640.56840.040*
C2260.0992 (3)0.2008 (3)0.4637 (3)0.0262 (9)
H2260.16940.16400.42980.031*
C2310.1226 (3)0.3888 (2)0.3248 (2)0.0186 (8)
C2320.2020 (3)0.3955 (3)0.2568 (2)0.0237 (9)
H2320.25190.34670.21520.028*
C2330.2095 (3)0.4732 (3)0.2488 (3)0.0265 (9)
H2330.26380.47790.20150.032*
C2340.1377 (3)0.5435 (3)0.3099 (3)0.0266 (9)
H2340.14200.59700.30460.032*
C2350.0598 (3)0.5364 (3)0.3786 (3)0.0269 (9)
H2350.01130.58480.42090.032*
C2360.0513 (3)0.4607 (2)0.3867 (2)0.0236 (9)
H236−0.00300.45670.43440.028*
C3110.0970 (2)−0.0132 (2)0.1846 (2)0.0163 (8)
C3120.0308 (3)0.0606 (2)0.1626 (3)0.0204 (8)
H3120.05340.07500.10650.025*
C313−0.0675 (3)0.1131 (3)0.2218 (3)0.0259 (9)
H313−0.11240.16270.20600.031*
C314−0.1002 (3)0.0936 (3)0.3032 (3)0.0355 (11)
H314−0.16770.12990.34370.043*
C315−0.0355 (3)0.0216 (3)0.3268 (3)0.0368 (11)
H315−0.05850.00860.38340.044*
C3160.0626 (3)−0.0314 (3)0.2680 (3)0.0263 (9)
H3160.1070−0.08060.28450.032*
C3210.2257 (3)−0.0698 (2)0.0087 (2)0.0194 (8)
C3220.1511 (3)−0.0774 (2)0.0009 (3)0.0220 (9)
H3220.0998−0.08540.04860.026*
C3230.1520 (3)−0.0733 (3)−0.0765 (3)0.0272 (10)
H3230.0998−0.0764−0.08120.033*
C3240.2282 (3)−0.0647 (3)−0.1466 (3)0.0292 (10)
H3240.2299−0.0641−0.19980.035*
C3250.3021 (3)−0.0570 (3)−0.1392 (3)0.0278 (10)
H3250.3544−0.0509−0.18740.033*
C3260.3002 (3)−0.0581 (2)−0.0620 (2)0.0215 (9)
H3260.3499−0.0508−0.05710.026*
C3310.2620 (3)−0.1905 (2)0.1336 (3)0.0197 (9)
C3320.2848 (3)−0.2164 (2)0.1997 (2)0.0227 (9)
H3320.2843−0.17500.22960.027*
C3330.3085 (3)−0.3014 (3)0.2238 (3)0.0287 (10)
H3330.3239−0.31810.26970.034*
C3340.3095 (3)−0.3612 (3)0.1803 (3)0.0343 (11)
H3340.3243−0.41910.19700.041*
C3350.2891 (3)−0.3377 (3)0.1128 (3)0.0358 (12)
H3350.2917−0.38000.08240.043*
C3360.2648 (3)−0.2523 (2)0.0887 (3)0.0259 (10)
H3360.2502−0.23610.04240.031*
C310.1641 (2)0.8741 (2)0.44996 (18)0.0461 (13)
H310.10820.86620.49080.055*
C320.14849 (19)0.95676 (19)0.4218 (2)0.0474 (13)
H320.08201.00530.44330.057*
C330.2302 (3)0.9684 (2)0.3621 (2)0.0468 (13)
H330.21951.02490.34280.056*
C340.3274 (2)0.8973 (3)0.33059 (18)0.0552 (15)
H340.38320.90530.28980.066*
C350.34296 (19)0.8146 (2)0.3588 (2)0.0614 (17)
H350.40940.76610.33720.074*
C360.2613 (3)0.80304 (18)0.4185 (2)0.0559 (15)
H360.27190.74650.43770.067*
C410.8429 (3)0.7635 (4)0.2667 (3)0.085 (3)
H410.78960.75000.28050.102*
C420.9431 (3)0.6978 (3)0.2279 (3)0.0702 (18)
H420.95830.63930.21530.084*
C431.0211 (2)0.7176 (2)0.2077 (2)0.0509 (14)
H431.08950.67270.18120.061*
C440.9989 (2)0.8031 (2)0.2262 (2)0.0459 (13)
H441.05220.81660.21230.055*
C450.8987 (3)0.8688 (2)0.2649 (2)0.0641 (17)
H450.88360.92730.27760.077*
C460.82076 (18)0.8490 (3)0.2852 (2)0.086 (3)
H460.75230.89400.31170.104*
C610.6481 (5)0.3470 (3)0.1813 (5)0.111 (3)
H610.67510.28740.16150.133*
C620.6851 (3)0.4013 (4)0.1289 (3)0.081 (2)
H620.73740.37880.07340.097*
C630.6455 (3)0.4886 (4)0.1578 (3)0.078 (2)
H630.67080.52570.12210.094*
C640.5690 (4)0.5215 (4)0.2391 (4)0.109 (3)
H640.54190.58120.25890.131*
C650.5319 (4)0.4672 (6)0.2914 (2)0.145 (5)
H650.47960.48980.34700.174*
C660.5715 (5)0.3800 (5)0.2625 (4)0.153 (5)
H660.54620.34280.29830.184*
C51A0.5375 (5)0.0513 (5)0.4413 (5)0.068 (4)0.529 (7)
H51A0.48910.04380.43420.082*0.529 (7)
C52A0.5848 (5)−0.0054 (4)0.4873 (4)0.056 (3)0.529 (7)
H52A0.5689−0.05160.51160.067*0.529 (7)
C53A0.6555 (5)0.0056 (4)0.4977 (4)0.042 (3)0.529 (7)
H53A0.6879−0.03310.52910.051*0.529 (7)
C54A0.6789 (5)0.0733 (5)0.4621 (5)0.045 (4)0.529 (7)
H54A0.72720.08080.46920.055*0.529 (7)
C55A0.6315 (6)0.1300 (5)0.4161 (5)0.065 (4)0.529 (7)
H55A0.64750.17630.39180.078*0.529 (7)
C56A0.5608 (5)0.1190 (5)0.4057 (5)0.063 (4)0.529 (7)
H56A0.52850.15770.37430.076*0.529 (7)
C51B0.6639 (6)0.0341 (5)0.4321 (5)0.055 (3)0.471 (7)
H51B0.6940−0.02730.43820.066*0.471 (7)
C52B0.6661 (6)0.0928 (6)0.4753 (5)0.056 (6)0.471 (7)
H52B0.69780.07150.51090.067*0.471 (7)
C53B0.6219 (7)0.1828 (6)0.4664 (5)0.054 (3)0.471 (7)
H53B0.62350.22290.49600.065*0.471 (7)
C54B0.5756 (6)0.2140 (5)0.4144 (5)0.065 (4)0.471 (7)
H54B0.54540.27550.40830.078*0.471 (7)
C55B0.5734 (7)0.1553 (6)0.3711 (5)0.070 (5)0.471 (7)
H55B0.54170.17660.33560.084*0.471 (7)
C56B0.6175 (7)0.0653 (5)0.3800 (6)0.064 (4)0.471 (7)
H56B0.61600.02520.35050.077*0.471 (7)
C710.5776 (15)0.4406 (12)0.4774 (14)0.101 (9)0.50
H710.63680.38490.46270.122*0.50
C720.483 (2)0.4444 (14)0.5128 (14)0.117 (8)0.50
H720.47740.39130.52230.140*0.50
C730.3963 (14)0.526 (2)0.5343 (14)0.170 (15)0.50
H730.33160.52840.55850.204*0.50
C740.404 (2)0.6035 (13)0.5204 (17)0.162 (16)0.50
H740.34510.65910.53510.195*0.50
C750.499 (3)0.5997 (13)0.4850 (18)0.190 (19)0.50
H750.50450.65280.47550.228*0.50
C760.5856 (19)0.5183 (19)0.4635 (15)0.134 (13)0.50
H760.65030.51570.43930.160*0.50

Atomic displacement parameters (Å2)

U11U22U33U12U13U23
Pd10.01143 (13)0.01042 (13)0.01477 (16)−0.00477 (11)−0.00602 (11)0.00185 (11)
Pd20.01403 (14)0.01323 (14)0.01385 (16)−0.00471 (11)−0.00557 (12)−0.00152 (11)
Pd30.01160 (13)0.00993 (13)0.01485 (15)−0.00530 (11)−0.00557 (11)0.00048 (11)
Te10.01305 (12)0.01131 (12)0.01799 (14)−0.00570 (10)−0.00615 (10)0.00263 (10)
Te20.02369 (14)0.02841 (15)0.02676 (16)−0.00652 (12)−0.01439 (12)−0.00536 (12)
Te30.01210 (11)0.01060 (11)0.01492 (13)−0.00493 (9)−0.00642 (10)0.00059 (9)
Te40.01161 (11)0.01150 (11)0.01544 (13)−0.00481 (9)−0.00512 (10)−0.00016 (10)
P10.0149 (5)0.0137 (5)0.0178 (5)−0.0052 (4)−0.0086 (4)0.0026 (4)
P20.0172 (5)0.0153 (5)0.0152 (5)−0.0060 (4)−0.0056 (4)−0.0013 (4)
P30.0151 (5)0.0139 (5)0.0185 (5)−0.0090 (4)−0.0066 (4)0.0017 (4)
C110.0094 (18)0.0136 (18)0.027 (2)−0.0042 (15)−0.0011 (16)−0.0049 (17)
C120.017 (2)0.016 (2)0.039 (3)−0.0090 (17)−0.0075 (18)0.0020 (18)
C130.022 (2)0.012 (2)0.060 (4)−0.0071 (17)−0.010 (2)−0.004 (2)
C140.028 (2)0.028 (2)0.045 (3)−0.019 (2)0.002 (2)−0.020 (2)
C150.033 (2)0.045 (3)0.025 (3)−0.026 (2)−0.0024 (19)−0.009 (2)
C160.022 (2)0.024 (2)0.026 (2)−0.0139 (18)−0.0048 (18)−0.0016 (18)
C210.026 (2)0.032 (2)0.026 (3)−0.0115 (19)−0.0142 (19)−0.0031 (19)
C220.039 (3)0.037 (3)0.031 (3)−0.017 (2)−0.014 (2)−0.002 (2)
C230.058 (3)0.042 (3)0.043 (3)−0.020 (3)−0.025 (3)−0.005 (3)
C240.053 (3)0.036 (3)0.040 (3)−0.010 (2)−0.019 (3)−0.015 (2)
C250.054 (3)0.059 (3)0.021 (3)−0.022 (3)−0.010 (2)−0.006 (2)
C260.021 (2)0.026 (2)0.019 (2)−0.0100 (18)−0.0023 (17)0.0037 (18)
C1110.0129 (18)0.025 (2)0.019 (2)−0.0080 (16)−0.0087 (16)0.0024 (17)
C1120.021 (2)0.026 (2)0.024 (2)−0.0114 (18)−0.0108 (18)0.0043 (18)
C1130.017 (2)0.036 (2)0.030 (3)−0.0062 (19)−0.0062 (19)−0.010 (2)
C1140.026 (2)0.059 (3)0.017 (2)−0.021 (2)−0.0040 (19)0.000 (2)
C1150.036 (2)0.052 (3)0.024 (3)−0.027 (2)−0.013 (2)0.015 (2)
C1160.026 (2)0.028 (2)0.025 (2)−0.0160 (18)−0.0118 (19)0.0091 (19)
C1210.0157 (18)0.0114 (18)0.019 (2)−0.0055 (15)−0.0092 (16)0.0063 (16)
C1220.020 (2)0.023 (2)0.017 (2)−0.0084 (17)−0.0069 (17)−0.0003 (17)
C1230.026 (2)0.025 (2)0.029 (2)−0.0134 (18)−0.0161 (19)0.0038 (19)
C1240.020 (2)0.023 (2)0.029 (2)−0.0117 (17)−0.0151 (18)0.0092 (18)
C1250.0165 (19)0.0179 (19)0.023 (2)−0.0050 (16)−0.0082 (17)0.0041 (17)
C1260.0219 (19)0.0118 (18)0.018 (2)−0.0071 (16)−0.0117 (17)0.0057 (16)
C1310.0130 (18)0.0133 (18)0.020 (2)−0.0050 (15)−0.0056 (16)0.0013 (16)
C1320.024 (2)0.022 (2)0.028 (2)−0.0086 (18)−0.0132 (18)0.0022 (18)
C1330.027 (2)0.018 (2)0.044 (3)−0.0056 (18)−0.018 (2)0.009 (2)
C1340.030 (2)0.014 (2)0.038 (3)−0.0061 (18)−0.013 (2)0.0009 (19)
C1350.039 (2)0.024 (2)0.028 (3)−0.014 (2)−0.016 (2)0.0013 (19)
C1360.023 (2)0.018 (2)0.025 (2)−0.0072 (17)−0.0131 (18)0.0071 (17)
C2110.0160 (19)0.019 (2)0.015 (2)−0.0004 (16)−0.0022 (16)−0.0067 (16)
C2120.024 (2)0.027 (2)0.022 (2)−0.0069 (18)−0.0083 (18)−0.0075 (18)
C2130.023 (2)0.046 (3)0.036 (3)−0.010 (2)−0.012 (2)−0.016 (2)
C2140.028 (2)0.036 (3)0.038 (3)0.005 (2)−0.020 (2)−0.014 (2)
C2150.049 (3)0.027 (2)0.041 (3)−0.004 (2)−0.032 (2)0.001 (2)
C2160.031 (2)0.028 (2)0.023 (2)−0.0064 (19)−0.0138 (19)−0.0029 (19)
C2210.023 (2)0.0186 (19)0.017 (2)−0.0109 (17)−0.0073 (17)−0.0014 (16)
C2220.028 (2)0.020 (2)0.020 (2)−0.0134 (18)−0.0055 (18)−0.0036 (17)
C2230.027 (2)0.030 (2)0.023 (2)−0.0169 (19)−0.0017 (19)−0.0054 (19)
C2240.046 (3)0.038 (3)0.019 (2)−0.030 (2)−0.011 (2)0.006 (2)
C2250.039 (3)0.039 (3)0.024 (3)−0.023 (2)−0.012 (2)0.011 (2)
C2260.028 (2)0.028 (2)0.024 (2)−0.0142 (19)−0.0117 (19)0.0013 (19)
C2310.023 (2)0.0162 (19)0.016 (2)−0.0100 (16)−0.0077 (17)0.0015 (16)
C2320.023 (2)0.023 (2)0.019 (2)−0.0091 (17)−0.0056 (17)−0.0026 (17)
C2330.029 (2)0.030 (2)0.023 (2)−0.0205 (19)−0.0078 (19)0.0042 (19)
C2340.043 (3)0.022 (2)0.023 (2)−0.022 (2)−0.015 (2)0.0046 (18)
C2350.031 (2)0.019 (2)0.023 (2)−0.0099 (18)−0.0066 (19)−0.0046 (18)
C2360.022 (2)0.022 (2)0.017 (2)−0.0083 (17)−0.0022 (17)−0.0028 (17)
C3110.0132 (18)0.0157 (18)0.023 (2)−0.0108 (15)−0.0055 (16)0.0006 (16)
C3120.021 (2)0.024 (2)0.021 (2)−0.0138 (17)−0.0095 (17)0.0030 (17)
C3130.017 (2)0.023 (2)0.033 (3)−0.0064 (17)−0.0102 (19)−0.0013 (19)
C3140.019 (2)0.024 (2)0.034 (3)−0.0049 (19)0.0053 (19)−0.003 (2)
C3150.036 (3)0.028 (2)0.021 (3)−0.010 (2)0.001 (2)0.004 (2)
C3160.027 (2)0.021 (2)0.023 (2)−0.0116 (18)−0.0060 (18)0.0043 (18)
C3210.0189 (19)0.0164 (19)0.018 (2)−0.0054 (16)−0.0061 (17)−0.0040 (16)
C3220.023 (2)0.020 (2)0.028 (2)−0.0150 (17)−0.0100 (18)0.0005 (18)
C3230.031 (2)0.025 (2)0.034 (3)−0.0130 (19)−0.021 (2)−0.0015 (19)
C3240.039 (3)0.028 (2)0.024 (2)−0.015 (2)−0.017 (2)−0.0010 (19)
C3250.029 (2)0.028 (2)0.020 (2)−0.0143 (19)−0.0038 (18)−0.0028 (18)
C3260.019 (2)0.022 (2)0.025 (2)−0.0116 (17)−0.0097 (18)0.0013 (18)
C3310.0132 (18)0.0141 (19)0.029 (2)−0.0088 (16)−0.0053 (17)0.0019 (17)
C3320.0147 (19)0.019 (2)0.024 (2)−0.0083 (16)−0.0003 (17)−0.0004 (17)
C3330.021 (2)0.022 (2)0.032 (3)−0.0100 (18)−0.0064 (19)0.0106 (19)
C3340.021 (2)0.014 (2)0.050 (3)−0.0083 (18)−0.003 (2)0.005 (2)
C3350.022 (2)0.018 (2)0.058 (3)−0.0112 (18)−0.007 (2)−0.007 (2)
C3360.018 (2)0.020 (2)0.036 (3)−0.0098 (17)−0.0068 (18)−0.0051 (18)
C310.043 (3)0.070 (4)0.033 (3)−0.038 (3)−0.009 (2)−0.003 (3)
C320.046 (3)0.053 (3)0.043 (3)−0.018 (3)−0.022 (3)−0.005 (3)
C330.074 (4)0.056 (3)0.034 (3)−0.042 (3)−0.031 (3)0.009 (3)
C340.054 (3)0.092 (4)0.035 (3)−0.052 (3)−0.012 (3)−0.005 (3)
C350.034 (3)0.071 (4)0.072 (4)−0.011 (3)−0.024 (3)−0.025 (3)
C360.080 (4)0.052 (3)0.067 (4)−0.040 (3)−0.050 (4)0.015 (3)
C410.057 (4)0.176 (8)0.055 (4)−0.076 (5)−0.038 (4)0.052 (5)
C420.091 (5)0.098 (5)0.067 (4)−0.070 (4)−0.054 (4)0.050 (4)
C430.041 (3)0.065 (4)0.050 (3)−0.024 (3)−0.027 (3)0.022 (3)
C440.045 (3)0.070 (4)0.036 (3)−0.031 (3)−0.025 (2)0.013 (3)
C450.063 (4)0.078 (4)0.041 (3)−0.013 (3)−0.033 (3)−0.003 (3)
C460.034 (3)0.158 (7)0.032 (3)−0.018 (4)−0.017 (3)0.009 (4)
C610.091 (6)0.127 (7)0.166 (10)−0.070 (6)−0.082 (7)0.036 (7)
C620.040 (3)0.115 (6)0.072 (5)−0.023 (4)−0.026 (3)0.006 (5)
C630.037 (3)0.110 (6)0.065 (5)−0.018 (4)−0.027 (3)0.023 (4)
C640.078 (5)0.149 (8)0.086 (6)−0.039 (5)−0.035 (5)−0.014 (6)
C650.141 (9)0.262 (15)0.052 (6)−0.127 (10)−0.025 (5)0.017 (8)
C660.156 (10)0.270 (16)0.114 (9)−0.166 (12)−0.069 (8)0.084 (10)
C51A0.059 (7)0.096 (10)0.056 (8)−0.035 (7)−0.026 (6)−0.019 (7)
C52A0.052 (6)0.049 (6)0.056 (7)−0.016 (5)−0.021 (5)−0.012 (5)
C53A0.026 (5)0.060 (6)0.027 (6)−0.013 (4)−0.005 (4)−0.010 (5)
C54A0.025 (7)0.084 (9)0.022 (7)−0.022 (6)−0.010 (6)0.005 (7)
C55A0.041 (6)0.098 (10)0.051 (8)−0.033 (7)−0.023 (5)0.029 (7)
C56A0.044 (8)0.111 (13)0.039 (8)−0.031 (8)−0.029 (7)0.009 (8)
C51B0.044 (7)0.072 (9)0.027 (7)−0.025 (6)−0.003 (5)0.011 (6)
C52B0.030 (9)0.099 (13)0.017 (8)−0.018 (9)0.000 (6)−0.016 (9)
C53B0.055 (7)0.083 (10)0.029 (7)−0.035 (7)−0.019 (6)−0.001 (6)
C54B0.081 (9)0.064 (8)0.052 (8)−0.022 (7)−0.043 (7)0.000 (7)
C55B0.051 (8)0.119 (14)0.046 (10)−0.041 (9)−0.026 (8)0.006 (9)
C56B0.062 (9)0.092 (11)0.059 (10)−0.040 (8)−0.039 (8)0.008 (8)
C710.075 (15)0.097 (18)0.057 (14)0.011 (15)−0.029 (11)0.013 (14)
C720.15 (3)0.16 (3)0.043 (14)−0.09 (2)−0.022 (17)0.010 (15)
C730.22 (3)0.18 (3)0.039 (16)−0.10 (3)−0.002 (18)0.014 (19)
C740.112 (19)0.16 (3)0.045 (12)0.031 (18)−0.013 (12)0.031 (17)
C750.26 (5)0.17 (3)0.063 (18)−0.12 (3)−0.01 (2)0.015 (19)
C760.060 (14)0.26 (4)0.052 (16)−0.07 (2)−0.011 (13)0.01 (2)

Geometric parameters (Å, °)

Pd1—P12.2825 (9)C234—H2340.9500
Pd1—Te42.5938 (4)C235—C2361.364 (5)
Pd1—Te32.6101 (3)C235—H2350.9500
Pd1—Te12.6268 (4)C236—H2360.9500
Pd2—P22.2937 (9)C311—C3121.394 (5)
Pd2—Te42.5928 (3)C311—C3161.396 (5)
Pd2—Te32.6101 (3)C312—C3131.383 (5)
Pd2—Te22.6389 (4)C312—H3120.9500
Pd3—P32.3001 (9)C313—C3141.370 (6)
Pd3—Te42.5928 (3)C313—H3130.9500
Pd3—Te1i2.6124 (3)C314—C3151.382 (6)
Pd3—Te32.6125 (3)C314—H3140.9500
Te1—C112.139 (4)C315—C3161.381 (6)
Te1—Pd3i2.6124 (3)C315—H3150.9500
Te2—C212.151 (4)C316—H3160.9500
Te3—Te43.2301 (3)C321—C3261.393 (5)
P1—C1311.816 (4)C321—C3221.395 (5)
P1—C1211.835 (3)C322—C3231.388 (5)
P1—C1111.834 (4)C322—H3220.9500
P2—C2311.823 (4)C323—C3241.382 (6)
P2—C2211.826 (4)C323—H3230.9500
P2—C2111.839 (4)C324—C3251.382 (5)
P3—C3211.829 (4)C324—H3240.9500
P3—C3311.836 (4)C325—C3261.382 (5)
P3—C3111.837 (3)C325—H3250.9500
C11—C161.378 (6)C326—H3260.9500
C11—C121.389 (5)C331—C3321.378 (5)
C12—C131.387 (6)C331—C3361.401 (5)
C12—H120.9500C332—C3331.390 (5)
C13—C141.373 (7)C332—H3320.9500
C13—H130.9500C333—C3341.374 (6)
C14—C151.387 (6)C333—H3330.9500
C14—H140.9500C334—C3351.377 (7)
C15—C161.384 (5)C334—H3340.9500
C15—H150.9500C335—C3361.395 (6)
C16—H160.9500C335—H3350.9500
C21—C261.360 (6)C336—H3360.9500
C21—C221.383 (6)C31—C321.3900
C22—C231.376 (6)C31—C361.3900
C22—H220.9500C31—H310.9500
C23—C241.375 (7)C32—C331.3900
C23—H230.9500C32—H320.9500
C24—C251.368 (7)C33—C341.3900
C24—H240.9500C33—H330.9500
C25—C261.449 (6)C34—C351.3900
C25—H250.9500C34—H340.9500
C26—H260.9500C35—C361.3900
C111—C1161.389 (5)C35—H350.9500
C111—C1121.400 (5)C36—H360.9500
C112—C1131.381 (6)C41—C421.3900
C112—H1120.9500C41—C461.3900
C113—C1141.379 (6)C41—H410.9500
C113—H1130.9500C42—C431.3900
C114—C1151.376 (6)C42—H420.9500
C114—H1140.9500C43—C441.3900
C115—C1161.384 (6)C43—H430.9500
C115—H1150.9500C44—C451.3900
C116—H1160.9500C44—H440.9500
C121—C1221.386 (5)C45—C461.3900
C121—C1261.400 (5)C45—H450.9500
C122—C1231.386 (5)C46—H460.9500
C122—H1220.9500C61—C621.3900
C123—C1241.370 (5)C61—C661.3900
C123—H1230.9500C61—H610.9500
C124—C1251.380 (5)C62—C631.3900
C124—H1240.9500C62—H620.9500
C125—C1261.385 (5)C63—C641.3900
C125—H1250.9500C63—H630.9500
C126—H1260.9500C64—C651.3900
C131—C1361.390 (5)C64—H640.9500
C131—C1321.391 (5)C65—C661.3900
C132—C1331.395 (5)C65—H650.9500
C132—H1320.9500C66—H660.9500
C133—C1341.375 (6)C51A—C52A1.3900
C133—H1330.9500C51A—C56A1.3900
C134—C1351.369 (6)C51A—H51A0.9500
C134—H1340.9500C52A—C53A1.3900
C135—C1361.390 (5)C52A—H52A0.9500
C135—H1350.9500C53A—C54A1.3900
C136—H1360.9500C53A—H53A0.9500
C211—C2161.391 (5)C54A—C55A1.3900
C211—C2121.405 (5)C54A—H54A0.9500
C212—C2131.384 (5)C55A—C56A1.3900
C212—H2120.9500C55A—H55A0.9500
C213—C2141.379 (6)C56A—H56A0.9500
C213—H2130.9500C51B—C52B1.3900
C214—C2151.361 (7)C51B—C56B1.3900
C214—H2140.9500C51B—H51B0.9500
C215—C2161.395 (6)C52B—C53B1.3900
C215—H2150.9500C52B—H52B0.9500
C216—H2160.9500C53B—C54B1.3900
C221—C2221.398 (5)C53B—H53B0.9500
C221—C2261.404 (5)C54B—C55B1.3900
C222—C2231.390 (6)C54B—H54B0.9500
C222—H2220.9500C55B—C56B1.3900
C223—C2241.369 (6)C55B—H55B0.9500
C223—H2230.9500C56B—H56B0.9500
C224—C2251.383 (6)C71—C721.3900
C224—H2240.9500C71—C761.3900
C225—C2261.393 (6)C71—H710.9500
C225—H2250.9500C72—C731.3900
C226—H2260.9500C72—H720.9500
C231—C2321.382 (5)C73—C741.3900
C231—C2361.401 (5)C73—H730.9500
C232—C2331.390 (5)C74—C751.3900
C232—H2320.9500C74—H740.9500
C233—C2341.379 (6)C75—C761.3900
C233—H2330.9500C75—H750.9500
C234—C2351.374 (6)C76—H760.9500
P1—Pd1—Te495.55 (3)C232—C231—P2117.4 (3)
P1—Pd1—Te3172.28 (3)C236—C231—P2123.4 (3)
Te4—Pd1—Te376.735 (10)C231—C232—C233120.6 (4)
P1—Pd1—Te191.20 (3)C231—C232—H232119.7
Te4—Pd1—Te1170.035 (13)C233—C232—H232119.7
Te3—Pd1—Te196.480 (10)C234—C233—C232119.5 (4)
P2—Pd2—Te496.57 (3)C234—C233—H233120.3
P2—Pd2—Te3169.46 (3)C232—C233—H233120.3
Te4—Pd2—Te376.752 (10)C235—C234—C233120.1 (4)
P2—Pd2—Te2101.95 (3)C235—C234—H234119.9
Te4—Pd2—Te2161.133 (13)C233—C234—H234119.9
Te3—Pd2—Te285.393 (11)C236—C235—C234120.8 (4)
P3—Pd3—Te493.92 (2)C236—C235—H235119.6
P3—Pd3—Te1i101.34 (2)C234—C235—H235119.6
Te4—Pd3—Te1i164.420 (13)C235—C236—C231120.2 (4)
P3—Pd3—Te3170.63 (3)C235—C236—H236119.9
Te4—Pd3—Te376.711 (10)C231—C236—H236119.9
Te1i—Pd3—Te388.017 (10)C312—C311—C316118.4 (3)
C11—Te1—Pd3i109.22 (9)C312—C311—P3120.2 (3)
C11—Te1—Pd198.82 (10)C316—C311—P3120.9 (3)
Pd3i—Te1—Pd1108.806 (11)C313—C312—C311120.7 (4)
C21—Te2—Pd2113.88 (10)C313—C312—H312119.7
Pd2—Te3—Pd182.639 (10)C311—C312—H312119.7
Pd2—Te3—Pd392.981 (11)C314—C313—C312120.0 (4)
Pd1—Te3—Pd378.618 (10)C314—C313—H313120.0
Pd2—Te3—Te451.384 (8)C312—C313—H313120.0
Pd1—Te3—Te451.407 (8)C313—C314—C315120.4 (4)
Pd3—Te3—Te451.371 (8)C313—C314—H314119.8
Pd3—Te4—Pd293.845 (11)C315—C314—H314119.8
Pd3—Te4—Pd179.270 (10)C316—C315—C314120.0 (4)
Pd2—Te4—Pd183.292 (11)C316—C315—H315120.0
Pd3—Te4—Te351.918 (8)C314—C315—H315120.0
Pd2—Te4—Te351.865 (8)C315—C316—C311120.5 (4)
Pd1—Te4—Te351.859 (8)C315—C316—H316119.7
C131—P1—C121102.66 (15)C311—C316—H316119.7
C131—P1—C111105.90 (17)C326—C321—C322119.2 (4)
C121—P1—C111102.90 (16)C326—C321—P3118.3 (3)
C131—P1—Pd1110.95 (12)C322—C321—P3122.5 (3)
C121—P1—Pd1117.64 (12)C323—C322—C321119.9 (4)
C111—P1—Pd1115.40 (11)C323—C322—H322120.0
C231—P2—C221107.31 (17)C321—C322—H322120.0
C231—P2—C21199.87 (17)C324—C323—C322120.4 (4)
C221—P2—C211100.78 (17)C324—C323—H323119.8
C231—P2—Pd2111.61 (12)C322—C323—H323119.8
C221—P2—Pd2116.58 (12)C325—C324—C323119.8 (4)
C211—P2—Pd2118.77 (12)C325—C324—H324120.1
C321—P3—C331106.17 (17)C323—C324—H324120.1
C321—P3—C311103.31 (16)C326—C325—C324120.4 (4)
C331—P3—C311103.02 (16)C326—C325—H325119.8
C321—P3—Pd3114.63 (12)C324—C325—H325119.8
C331—P3—Pd3114.58 (12)C325—C326—C321120.3 (4)
C311—P3—Pd3113.83 (11)C325—C326—H326119.8
C16—C11—C12119.6 (4)C321—C326—H326119.8
C16—C11—Te1123.2 (3)C332—C331—C336118.9 (4)
C12—C11—Te1117.2 (3)C332—C331—P3117.7 (3)
C13—C12—C11119.9 (4)C336—C331—P3123.4 (3)
C13—C12—H12120.1C331—C332—C333121.6 (4)
C11—C12—H12120.1C331—C332—H332119.2
C14—C13—C12120.5 (4)C333—C332—H332119.2
C14—C13—H13119.8C334—C333—C332119.1 (4)
C12—C13—H13119.8C334—C333—H333120.5
C13—C14—C15119.5 (4)C332—C333—H333120.5
C13—C14—H14120.2C333—C334—C335120.6 (4)
C15—C14—H14120.2C333—C334—H334119.7
C16—C15—C14120.3 (4)C335—C334—H334119.7
C16—C15—H15119.9C334—C335—C336120.5 (4)
C14—C15—H15119.9C334—C335—H335119.7
C11—C16—C15120.1 (4)C336—C335—H335119.7
C11—C16—H16119.9C335—C336—C331119.3 (4)
C15—C16—H16119.9C335—C336—H336120.4
C26—C21—C22120.5 (4)C331—C336—H336120.4
C26—C21—Te2119.1 (3)C32—C31—C36120.0
C22—C21—Te2120.3 (3)C32—C31—H31120.0
C23—C22—C21120.8 (5)C36—C31—H31120.0
C23—C22—H22119.6C31—C32—C33120.0
C21—C22—H22119.6C31—C32—H32120.0
C24—C23—C22121.0 (5)C33—C32—H32120.0
C24—C23—H23119.5C34—C33—C32120.0
C22—C23—H23119.5C34—C33—H33120.0
C25—C24—C23118.6 (4)C32—C33—H33120.0
C25—C24—H24120.7C35—C34—C33120.0
C23—C24—H24120.7C35—C34—H34120.0
C24—C25—C26121.3 (4)C33—C34—H34120.0
C24—C25—H25119.4C34—C35—C36120.0
C26—C25—H25119.4C34—C35—H35120.0
C21—C26—C25117.7 (4)C36—C35—H35120.0
C21—C26—H26121.1C35—C36—C31120.0
C25—C26—H26121.1C35—C36—H36120.0
C116—C111—C112118.2 (4)C31—C36—H36120.0
C116—C111—P1124.9 (3)C42—C41—C46120.0
C112—C111—P1116.9 (3)C42—C41—H41120.0
C113—C112—C111120.7 (4)C46—C41—H41120.0
C113—C112—H112119.6C43—C42—C41120.0
C111—C112—H112119.6C43—C42—H42120.0
C114—C113—C112120.2 (4)C41—C42—H42120.0
C114—C113—H113119.9C42—C43—C44120.0
C112—C113—H113119.9C42—C43—H43120.0
C115—C114—C113119.6 (4)C44—C43—H43120.0
C115—C114—H114120.2C45—C44—C43120.0
C113—C114—H114120.2C45—C44—H44120.0
C114—C115—C116120.6 (4)C43—C44—H44120.0
C114—C115—H115119.7C46—C45—C44120.0
C116—C115—H115119.7C46—C45—H45120.0
C115—C116—C111120.6 (4)C44—C45—H45120.0
C115—C116—H116119.7C45—C46—C41120.0
C111—C116—H116119.7C45—C46—H46120.0
C122—C121—C126118.5 (3)C41—C46—H46120.0
C122—C121—P1122.6 (3)C62—C61—C66120.0
C126—C121—P1118.8 (3)C62—C61—H61120.0
C121—C122—C123120.6 (4)C66—C61—H61120.0
C121—C122—H122119.7C61—C62—C63120.0
C123—C122—H122119.7C61—C62—H62120.0
C124—C123—C122120.5 (4)C63—C62—H62120.0
C124—C123—H123119.7C64—C63—C62120.0
C122—C123—H123119.7C64—C63—H63120.0
C123—C124—C125119.8 (3)C62—C63—H63120.0
C123—C124—H124120.1C65—C64—C63120.0
C125—C124—H124120.1C65—C64—H64120.0
C124—C125—C126120.3 (3)C63—C64—H64120.0
C124—C125—H125119.8C64—C65—C66120.0
C126—C125—H125119.8C64—C65—H65120.0
C125—C126—C121120.3 (3)C66—C65—H65120.0
C125—C126—H126119.9C65—C66—C61120.0
C121—C126—H126119.9C65—C66—H66120.0
C136—C131—C132118.3 (3)C61—C66—H66120.0
C136—C131—P1120.3 (3)C52A—C51A—C56A120.0
C132—C131—P1121.3 (3)C52A—C51A—H51A120.0
C131—C132—C133120.3 (4)C56A—C51A—H51A120.0
C131—C132—H132119.9C51A—C52A—C53A120.0
C133—C132—H132119.9C51A—C52A—H52A120.0
C134—C133—C132120.1 (4)C53A—C52A—H52A120.0
C134—C133—H133120.0C52A—C53A—C54A120.0
C132—C133—H133120.0C52A—C53A—H53A120.0
C135—C134—C133120.4 (4)C54A—C53A—H53A120.0
C135—C134—H134119.8C55A—C54A—C53A120.0
C133—C134—H134119.8C55A—C54A—H54A120.0
C134—C135—C136119.8 (4)C53A—C54A—H54A120.0
C134—C135—H135120.1C56A—C55A—C54A120.0
C136—C135—H135120.1C56A—C55A—H55A120.0
C131—C136—C135121.1 (3)C54A—C55A—H55A120.0
C131—C136—H136119.5C55A—C56A—C51A120.0
C135—C136—H136119.5C55A—C56A—H56A120.0
C216—C211—C212118.2 (4)C51A—C56A—H56A120.0
C216—C211—P2122.0 (3)C52B—C51B—C56B120.0
C212—C211—P2119.7 (3)C52B—C51B—H51B120.0
C213—C212—C211120.2 (4)C56B—C51B—H51B120.0
C213—C212—H212119.9C53B—C52B—C51B120.0
C211—C212—H212119.9C53B—C52B—H52B120.0
C214—C213—C212120.8 (4)C51B—C52B—H52B120.0
C214—C213—H213119.6C52B—C53B—C54B120.0
C212—C213—H213119.6C52B—C53B—H53B120.0
C215—C214—C213119.6 (4)C54B—C53B—H53B120.0
C215—C214—H214120.2C55B—C54B—C53B120.0
C213—C214—H214120.2C55B—C54B—H54B120.0
C214—C215—C216120.9 (4)C53B—C54B—H54B120.0
C214—C215—H215119.6C54B—C55B—C56B120.0
C216—C215—H215119.6C54B—C55B—H55B120.0
C211—C216—C215120.3 (4)C56B—C55B—H55B120.0
C211—C216—H216119.8C55B—C56B—C51B120.0
C215—C216—H216119.8C55B—C56B—H56B120.0
C222—C221—C226118.7 (4)C51B—C56B—H56B120.0
C222—C221—P2122.8 (3)C72—C71—C76120.0
C226—C221—P2118.4 (3)C72—C71—H71120.0
C223—C222—C221119.8 (4)C76—C71—H71120.0
C223—C222—H222120.1C73—C72—C71120.0
C221—C222—H222120.1C73—C72—H72120.0
C224—C223—C222121.2 (4)C71—C72—H72120.0
C224—C223—H223119.4C74—C73—C72120.0
C222—C223—H223119.4C74—C73—H73120.0
C223—C224—C225119.9 (4)C72—C73—H73120.0
C223—C224—H224120.1C75—C74—C73120.0
C225—C224—H224120.1C75—C74—H74120.0
C224—C225—C226120.1 (4)C73—C74—H74120.0
C224—C225—H225119.9C74—C75—C76120.0
C226—C225—H225119.9C74—C75—H75120.0
C225—C226—C221120.2 (4)C76—C75—H75120.0
C225—C226—H226119.9C75—C76—C71120.0
C221—C226—H226119.9C75—C76—H76120.0
C232—C231—C236118.8 (3)C71—C76—H76120.0

Symmetry codes: (i) −x+1, −y, −z.

Footnotes

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HB5293).

References

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  • Oilunkaniemi, R., Laitinen, R. S. & Ahlgrén, M. (2000). J. Organomet. Chem.595, 232–240.
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  • Otwinowski, Z. & Minor, W. (1997). Methods in Enzymology, Vol. 276, Macromolecular Crystallography, Part A, edited by C. W. Carter Jr & R. M. Sweet, pp. 307–326. New York: Academic Press.
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