Acta Cryst. (2009). E65, m792 [ doi:10.1107/S1600536809022417 ]
![[kappa]](/logos/entities/kappa_rmgif.gif)
3P,P',P''}chloridopalladium(II) hexafluoridophosphateIn the title compound, [PdCl(C34H33P3)]PF6, the PdII atom adopts a distorted PdP3Cl square-planar geometry arising from the P,P',P''-tridentate triphos ligand and a chloride ion.
The title compound was prepared by a previously reported proceedure (King, et al., 1971). Colourless rods of (I) were grown by slow solvent evaporation of a saturated dichloromethane solution.
All H atoms were placed in calculated positions (C—H = 0.93–0.97Å) and refined as riding with Uiso(H) = 1.2Ueq(C).
Data collection: APEX2 (Bruker, 2006); cell refinement: SAINT (Bruker, 2006); data reduction: SAINT (Bruker, 2006; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).
![[Figure 1]](./hb2992fig1thm.gif)
| Fig. 1. The molecular structure of (I) with 50% probability displacement ellipsoids. |
![[Figure 2]](./hb2992fig2thm.gif)
| Fig. 2. The molecular structure of (I), with atom labels and 50% probability displacement ellipsoids. Hydrogen atoms are omitted for clarity. |
| [PdCl(C34H33P3)]PF6 | Z = 2 |
| Mr = 821.33 | F(000) = 828 |
| Triclinic, P1 | Dx = 1.557 Mg m−3 |
| Hall symbol: -P 1 | Melting point: not measured K |
| a = 11.2465 (5) Å | Mo Kα radiation, λ = 0.71073 Å |
| b = 11.8182 (5) Å | Cell parameters from 9890 reflections |
| c = 15.5093 (7) Å | θ = 2.7–33.3° |
| α = 69.029 (2)° | µ = 0.84 mm−1 |
| β = 70.439 (2)° | T = 100 K |
| γ = 69.697 (2)° | Rod, colourless |
| V = 1752.27 (13) Å3 | 0.47 × 0.15 × 0.10 mm |
| Bruker APEXII CCD diffractometer | 13341 independent reflections |
| Radiation source: fine-focus sealed tube | 10917 reflections with I > 2σ(I) |
| graphite | Rint = 0.030 |
| φ and ω scans | θmax = 33.4°, θmin = 1.9° |
| Absorption correction: multi-scan (SADABS; Bruker, 2000) | h = −16→17 |
| Tmin = 0.693, Tmax = 0.917 | k = −18→18 |
| 48576 measured reflections | l = −23→21 |
| Refinement on F2 | Primary atom site location: structure-invariant direct methods |
| Least-squares matrix: full | Secondary atom site location: difference Fourier map |
| R[F2 > 2σ(F2)] = 0.031 | Hydrogen site location: inferred from neighbouring sites |
| wR(F2) = 0.067 | H-atom parameters constrained |
| S = 1.03 | w = 1/[σ2(Fo2) + (0.0249P)2 + 0.7353P] where P = (Fo2 + 2Fc2)/3 |
| 13341 reflections | (Δ/σ)max = 0.002 |
| 415 parameters | Δρmax = 0.71 e Å−3 |
| 0 restraints | Δρmin = −0.67 e Å−3 |
| [PdCl(C34H33P3)]PF6 | γ = 69.697 (2)° |
| Mr = 821.33 | V = 1752.27 (13) Å3 |
| Triclinic, P1 | Z = 2 |
| a = 11.2465 (5) Å | Mo Kα radiation |
| b = 11.8182 (5) Å | µ = 0.84 mm−1 |
| c = 15.5093 (7) Å | T = 100 K |
| α = 69.029 (2)° | 0.47 × 0.15 × 0.10 mm |
| β = 70.439 (2)° |
| Bruker APEXII CCD diffractometer | 13341 independent reflections |
| Absorption correction: multi-scan (SADABS; Bruker, 2000) | 10917 reflections with I > 2σ(I) |
| Tmin = 0.693, Tmax = 0.917 | Rint = 0.030 |
| 48576 measured reflections | θmax = 33.4° |
| R[F2 > 2σ(F2)] = 0.031 | H-atom parameters constrained |
| wR(F2) = 0.067 | Δρmax = 0.71 e Å−3 |
| S = 1.03 | Δρmin = −0.67 e Å−3 |
| 13341 reflections | Absolute structure: ? |
| 415 parameters | Flack parameter: ? |
| 0 restraints | Rogers parameter: ? |
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. |
| x | y | z | Uiso*/Ueq | ||
| Pd1 | 0.543690 (10) | 0.544468 (10) | 0.728992 (7) | 0.01221 (3) | |
| Cl1 | 0.66556 (3) | 0.69224 (3) | 0.64082 (3) | 0.01911 (7) | |
| P1 | 0.41725 (3) | 0.41349 (3) | 0.80705 (3) | 0.01332 (7) | |
| P2 | 0.34703 (3) | 0.69724 (3) | 0.73350 (3) | 0.01374 (7) | |
| P3 | 0.71382 (3) | 0.36524 (3) | 0.75901 (3) | 0.01384 (7) | |
| C1 | 0.63963 (14) | 0.23211 (14) | 0.82230 (11) | 0.0178 (3) | |
| H1A | 0.6334 | 0.1964 | 0.7756 | 0.021* | |
| H1B | 0.6956 | 0.1658 | 0.8631 | 0.021* | |
| C2 | 0.50294 (14) | 0.27458 (14) | 0.88395 (11) | 0.0177 (3) | |
| H2A | 0.5089 | 0.2948 | 0.9388 | 0.021* | |
| H2B | 0.4566 | 0.2077 | 0.9082 | 0.021* | |
| C3 | 0.26481 (14) | 0.49798 (14) | 0.87132 (11) | 0.0182 (3) | |
| H3A | 0.2009 | 0.4465 | 0.9003 | 0.022* | |
| H3B | 0.2800 | 0.5191 | 0.9224 | 0.022* | |
| C4 | 0.21432 (13) | 0.61759 (14) | 0.79763 (11) | 0.0184 (3) | |
| H4A | 0.1379 | 0.6736 | 0.8297 | 0.022* | |
| H4B | 0.1869 | 0.5962 | 0.7523 | 0.022* | |
| C5 | 0.32177 (14) | 0.80673 (14) | 0.79914 (10) | 0.0156 (3) | |
| C6 | 0.19906 (14) | 0.89177 (15) | 0.81373 (11) | 0.0197 (3) | |
| H6A | 0.1315 | 0.8893 | 0.7911 | 0.024* | |
| C7 | 0.17601 (16) | 0.97952 (16) | 0.86117 (12) | 0.0242 (3) | |
| H7A | 0.0925 | 1.0370 | 0.8713 | 0.029* | |
| C8 | 0.27491 (17) | 0.98361 (16) | 0.89391 (12) | 0.0261 (4) | |
| H8A | 0.2591 | 1.0444 | 0.9260 | 0.031* | |
| C9 | 0.39634 (16) | 0.89942 (17) | 0.87998 (12) | 0.0250 (3) | |
| H9A | 0.4634 | 0.9022 | 0.9029 | 0.030* | |
| C10 | 0.42046 (15) | 0.81067 (15) | 0.83243 (11) | 0.0207 (3) | |
| H10A | 0.5039 | 0.7531 | 0.8228 | 0.025* | |
| C11 | 0.31785 (13) | 0.79486 (14) | 0.61900 (10) | 0.0158 (3) | |
| C12 | 0.35593 (15) | 0.90719 (15) | 0.57975 (11) | 0.0193 (3) | |
| H12A | 0.3897 | 0.9338 | 0.6156 | 0.023* | |
| C13 | 0.34469 (16) | 0.97972 (16) | 0.48887 (12) | 0.0259 (4) | |
| H13A | 0.3710 | 1.0557 | 0.4625 | 0.031* | |
| C14 | 0.29516 (17) | 0.94151 (18) | 0.43648 (12) | 0.0305 (4) | |
| H14A | 0.2872 | 0.9913 | 0.3742 | 0.037* | |
| C15 | 0.25735 (19) | 0.8311 (2) | 0.47485 (13) | 0.0337 (4) | |
| H15A | 0.2228 | 0.8055 | 0.4389 | 0.040* | |
| C16 | 0.26919 (17) | 0.75693 (18) | 0.56544 (13) | 0.0271 (4) | |
| H16A | 0.2441 | 0.6803 | 0.5909 | 0.033* | |
| C17 | 0.79995 (13) | 0.37155 (14) | 0.83702 (10) | 0.0156 (3) | |
| C18 | 0.81699 (16) | 0.48626 (15) | 0.82975 (12) | 0.0222 (3) | |
| H18A | 0.7779 | 0.5608 | 0.7880 | 0.027* | |
| C19 | 0.89105 (16) | 0.49210 (16) | 0.88346 (13) | 0.0245 (3) | |
| H19A | 0.9026 | 0.5705 | 0.8781 | 0.029* | |
| C20 | 0.94768 (14) | 0.38410 (15) | 0.94455 (11) | 0.0200 (3) | |
| H20A | 0.9981 | 0.3883 | 0.9812 | 0.024* | |
| C21 | 0.93115 (15) | 0.26977 (16) | 0.95254 (11) | 0.0211 (3) | |
| H21A | 0.9708 | 0.1956 | 0.9943 | 0.025* | |
| C22 | 0.85680 (15) | 0.26298 (15) | 0.89975 (11) | 0.0201 (3) | |
| H22A | 0.8446 | 0.1845 | 0.9062 | 0.024* | |
| C23 | 0.84173 (13) | 0.31713 (15) | 0.66107 (11) | 0.0173 (3) | |
| C24 | 0.85893 (17) | 0.40133 (16) | 0.57143 (12) | 0.0253 (3) | |
| H24A | 0.8039 | 0.4843 | 0.5612 | 0.030* | |
| C25 | 0.95762 (18) | 0.36365 (18) | 0.49618 (13) | 0.0327 (4) | |
| H25A | 0.9700 | 0.4211 | 0.4347 | 0.039* | |
| C26 | 1.03721 (16) | 0.24272 (18) | 0.51127 (14) | 0.0304 (4) | |
| H26A | 1.1042 | 0.2173 | 0.4600 | 0.037* | |
| C27 | 1.01997 (16) | 0.15849 (18) | 0.60052 (13) | 0.0286 (4) | |
| H27A | 1.0747 | 0.0754 | 0.6102 | 0.034* | |
| C28 | 0.92312 (15) | 0.19491 (16) | 0.67579 (12) | 0.0231 (3) | |
| H28A | 0.9119 | 0.1372 | 0.7372 | 0.028* | |
| C29 | 0.37076 (14) | 0.36381 (14) | 0.72824 (11) | 0.0170 (3) | |
| C30 | 0.43949 (16) | 0.37635 (18) | 0.63357 (12) | 0.0264 (4) | |
| H30A | 0.5137 | 0.4095 | 0.6100 | 0.032* | |
| C31 | 0.40025 (19) | 0.3407 (2) | 0.57341 (13) | 0.0337 (4) | |
| H31A | 0.4483 | 0.3484 | 0.5091 | 0.040* | |
| C32 | 0.29116 (19) | 0.29404 (19) | 0.60692 (13) | 0.0313 (4) | |
| H32A | 0.2642 | 0.2702 | 0.5655 | 0.038* | |
| C33 | 0.2214 (2) | 0.2821 (2) | 0.70068 (14) | 0.0359 (5) | |
| H33A | 0.1459 | 0.2511 | 0.7233 | 0.043* | |
| C34 | 0.26129 (17) | 0.31525 (18) | 0.76138 (12) | 0.0289 (4) | |
| H34A | 0.2142 | 0.3050 | 0.8260 | 0.035* | |
| P4 | 0.21871 (4) | 0.13320 (4) | 1.11479 (3) | 0.01765 (8) | |
| F1 | 0.14268 (9) | 0.04474 (9) | 1.10733 (7) | 0.0233 (2) | |
| F2 | 0.23404 (11) | 0.04420 (10) | 1.21717 (7) | 0.0334 (2) | |
| F3 | 0.35426 (8) | 0.05090 (9) | 1.06650 (7) | 0.0241 (2) | |
| F4 | 0.29314 (10) | 0.22256 (10) | 1.12031 (9) | 0.0334 (3) | |
| F5 | 0.20332 (10) | 0.22185 (10) | 1.01037 (8) | 0.0341 (3) | |
| F6 | 0.08134 (9) | 0.21610 (10) | 1.16043 (9) | 0.0359 (3) |
| U11 | U22 | U33 | U12 | U13 | U23 | |
| Pd1 | 0.01063 (5) | 0.00951 (5) | 0.01375 (5) | −0.00185 (3) | −0.00232 (3) | −0.00135 (4) |
| Cl1 | 0.01759 (15) | 0.01486 (17) | 0.02136 (17) | −0.00688 (13) | −0.00301 (13) | 0.00013 (13) |
| P1 | 0.01253 (15) | 0.01079 (17) | 0.01399 (16) | −0.00290 (13) | −0.00164 (12) | −0.00189 (13) |
| P2 | 0.01197 (15) | 0.01054 (17) | 0.01684 (17) | −0.00140 (12) | −0.00385 (13) | −0.00272 (13) |
| P3 | 0.01189 (15) | 0.01076 (17) | 0.01771 (17) | −0.00135 (13) | −0.00379 (13) | −0.00387 (14) |
| C1 | 0.0156 (6) | 0.0118 (7) | 0.0239 (7) | −0.0031 (5) | −0.0050 (5) | −0.0026 (6) |
| C2 | 0.0174 (6) | 0.0135 (7) | 0.0188 (7) | −0.0043 (5) | −0.0045 (5) | −0.0001 (5) |
| C3 | 0.0151 (6) | 0.0159 (7) | 0.0193 (7) | −0.0039 (5) | 0.0005 (5) | −0.0044 (6) |
| C4 | 0.0133 (6) | 0.0129 (7) | 0.0255 (7) | −0.0031 (5) | −0.0019 (5) | −0.0041 (6) |
| C5 | 0.0170 (6) | 0.0122 (7) | 0.0156 (6) | −0.0024 (5) | −0.0044 (5) | −0.0025 (5) |
| C6 | 0.0180 (6) | 0.0178 (7) | 0.0232 (7) | −0.0020 (6) | −0.0060 (6) | −0.0072 (6) |
| C7 | 0.0242 (7) | 0.0193 (8) | 0.0272 (8) | −0.0009 (6) | −0.0040 (6) | −0.0107 (7) |
| C8 | 0.0322 (8) | 0.0220 (8) | 0.0270 (8) | −0.0052 (7) | −0.0079 (7) | −0.0112 (7) |
| C9 | 0.0268 (8) | 0.0274 (9) | 0.0263 (8) | −0.0076 (7) | −0.0105 (6) | −0.0092 (7) |
| C10 | 0.0198 (7) | 0.0208 (8) | 0.0218 (7) | −0.0023 (6) | −0.0081 (6) | −0.0059 (6) |
| C11 | 0.0137 (6) | 0.0138 (7) | 0.0189 (7) | −0.0003 (5) | −0.0066 (5) | −0.0040 (5) |
| C12 | 0.0211 (7) | 0.0158 (7) | 0.0201 (7) | −0.0033 (6) | −0.0065 (6) | −0.0038 (6) |
| C13 | 0.0264 (8) | 0.0199 (8) | 0.0229 (8) | −0.0027 (6) | −0.0062 (6) | 0.0010 (6) |
| C14 | 0.0279 (8) | 0.0363 (10) | 0.0194 (8) | −0.0009 (7) | −0.0116 (7) | −0.0002 (7) |
| C15 | 0.0347 (9) | 0.0471 (12) | 0.0274 (9) | −0.0119 (9) | −0.0166 (8) | −0.0099 (9) |
| C16 | 0.0310 (8) | 0.0294 (9) | 0.0278 (9) | −0.0122 (7) | −0.0122 (7) | −0.0067 (7) |
| C17 | 0.0130 (6) | 0.0133 (7) | 0.0179 (7) | −0.0010 (5) | −0.0030 (5) | −0.0043 (5) |
| C18 | 0.0245 (7) | 0.0138 (7) | 0.0293 (8) | −0.0023 (6) | −0.0129 (6) | −0.0037 (6) |
| C19 | 0.0258 (8) | 0.0186 (8) | 0.0347 (9) | −0.0047 (6) | −0.0128 (7) | −0.0094 (7) |
| C20 | 0.0162 (6) | 0.0237 (8) | 0.0213 (7) | −0.0029 (6) | −0.0053 (5) | −0.0091 (6) |
| C21 | 0.0212 (7) | 0.0205 (8) | 0.0199 (7) | −0.0038 (6) | −0.0082 (6) | −0.0022 (6) |
| C22 | 0.0227 (7) | 0.0145 (7) | 0.0229 (7) | −0.0045 (6) | −0.0080 (6) | −0.0029 (6) |
| C23 | 0.0136 (6) | 0.0197 (7) | 0.0224 (7) | −0.0052 (5) | −0.0033 (5) | −0.0100 (6) |
| C24 | 0.0296 (8) | 0.0197 (8) | 0.0252 (8) | −0.0102 (7) | 0.0011 (6) | −0.0080 (7) |
| C25 | 0.0392 (10) | 0.0307 (10) | 0.0258 (9) | −0.0207 (8) | 0.0096 (7) | −0.0098 (8) |
| C26 | 0.0206 (7) | 0.0380 (11) | 0.0365 (10) | −0.0127 (7) | 0.0074 (7) | −0.0228 (8) |
| C27 | 0.0181 (7) | 0.0313 (10) | 0.0370 (10) | 0.0007 (7) | −0.0048 (7) | −0.0188 (8) |
| C28 | 0.0186 (7) | 0.0244 (8) | 0.0251 (8) | 0.0008 (6) | −0.0076 (6) | −0.0093 (7) |
| C29 | 0.0179 (6) | 0.0135 (7) | 0.0188 (7) | −0.0043 (5) | −0.0056 (5) | −0.0022 (5) |
| C30 | 0.0228 (7) | 0.0368 (10) | 0.0224 (8) | −0.0134 (7) | −0.0001 (6) | −0.0107 (7) |
| C31 | 0.0355 (9) | 0.0511 (13) | 0.0214 (8) | −0.0196 (9) | −0.0027 (7) | −0.0136 (8) |
| C32 | 0.0380 (10) | 0.0370 (11) | 0.0283 (9) | −0.0175 (8) | −0.0132 (7) | −0.0071 (8) |
| C33 | 0.0402 (10) | 0.0468 (12) | 0.0322 (10) | −0.0302 (9) | −0.0076 (8) | −0.0065 (9) |
| C34 | 0.0325 (9) | 0.0381 (11) | 0.0220 (8) | −0.0231 (8) | −0.0022 (7) | −0.0055 (7) |
| P4 | 0.01521 (16) | 0.01243 (18) | 0.0248 (2) | −0.00147 (14) | −0.00703 (14) | −0.00449 (15) |
| F1 | 0.0217 (4) | 0.0182 (5) | 0.0329 (5) | −0.0076 (4) | −0.0095 (4) | −0.0054 (4) |
| F2 | 0.0469 (6) | 0.0305 (6) | 0.0226 (5) | −0.0058 (5) | −0.0139 (5) | −0.0061 (4) |
| F3 | 0.0169 (4) | 0.0213 (5) | 0.0338 (5) | −0.0021 (4) | −0.0041 (4) | −0.0118 (4) |
| F4 | 0.0237 (5) | 0.0232 (5) | 0.0630 (8) | −0.0036 (4) | −0.0147 (5) | −0.0214 (5) |
| F5 | 0.0362 (6) | 0.0240 (5) | 0.0363 (6) | −0.0103 (5) | −0.0185 (5) | 0.0098 (5) |
| F6 | 0.0185 (4) | 0.0226 (5) | 0.0633 (8) | 0.0007 (4) | −0.0014 (5) | −0.0216 (5) |
| Pd1—P1 | 2.2176 (4) | C15—C16 | 1.387 (3) |
| Pd1—P2 | 2.3178 (4) | C15—H15A | 0.9500 |
| Pd1—P3 | 2.3329 (4) | C16—H16A | 0.9500 |
| Pd1—Cl1 | 2.3441 (4) | C17—C18 | 1.394 (2) |
| P1—C29 | 1.8073 (16) | C17—C22 | 1.398 (2) |
| P1—C3 | 1.8193 (14) | C18—C19 | 1.392 (2) |
| P1—C2 | 1.8211 (15) | C18—H18A | 0.9500 |
| P2—C11 | 1.8037 (15) | C19—C20 | 1.381 (2) |
| P2—C5 | 1.8126 (15) | C19—H19A | 0.9500 |
| P2—C4 | 1.8476 (15) | C20—C21 | 1.384 (2) |
| P3—C23 | 1.8132 (15) | C20—H20A | 0.9500 |
| P3—C17 | 1.8185 (16) | C21—C22 | 1.389 (2) |
| P3—C1 | 1.8418 (15) | C21—H21A | 0.9500 |
| C1—C2 | 1.534 (2) | C22—H22A | 0.9500 |
| C1—H1A | 0.9900 | C23—C24 | 1.387 (2) |
| C1—H1B | 0.9900 | C23—C28 | 1.401 (2) |
| C2—H2A | 0.9900 | C24—C25 | 1.398 (2) |
| C2—H2B | 0.9900 | C24—H24A | 0.9500 |
| C3—C4 | 1.532 (2) | C25—C26 | 1.383 (3) |
| C3—H3A | 0.9900 | C25—H25A | 0.9500 |
| C3—H3B | 0.9900 | C26—C27 | 1.383 (3) |
| C4—H4A | 0.9900 | C26—H26A | 0.9500 |
| C4—H4B | 0.9900 | C27—C28 | 1.385 (2) |
| C5—C10 | 1.392 (2) | C27—H27A | 0.9500 |
| C5—C6 | 1.399 (2) | C28—H28A | 0.9500 |
| C6—C7 | 1.384 (2) | C29—C30 | 1.393 (2) |
| C6—H6A | 0.9500 | C29—C34 | 1.402 (2) |
| C7—C8 | 1.389 (2) | C30—C31 | 1.388 (3) |
| C7—H7A | 0.9500 | C30—H30A | 0.9500 |
| C8—C9 | 1.384 (2) | C31—C32 | 1.385 (3) |
| C8—H8A | 0.9500 | C31—H31A | 0.9500 |
| C9—C10 | 1.393 (2) | C32—C33 | 1.384 (3) |
| C9—H9A | 0.9500 | C32—H32A | 0.9500 |
| C10—H10A | 0.9500 | C33—C34 | 1.382 (3) |
| C11—C16 | 1.390 (2) | C33—H33A | 0.9500 |
| C11—C12 | 1.399 (2) | C34—H34A | 0.9500 |
| C12—C13 | 1.384 (2) | P4—F1 | 1.6158 (10) |
| C12—H12A | 0.9500 | P4—F2 | 1.5872 (11) |
| C13—C14 | 1.384 (3) | P4—F3 | 1.5997 (10) |
| C13—H13A | 0.9500 | P4—F4 | 1.5967 (11) |
| C14—C15 | 1.378 (3) | P4—F6 | 1.6005 (10) |
| C14—H14A | 0.9500 | P4—F5 | 1.6117 (11) |
| P1—Pd1—P2 | 83.905 (14) | C14—C15—H15A | 120.1 |
| P1—Pd1—P3 | 84.262 (14) | C16—C15—H15A | 120.1 |
| P2—Pd1—P3 | 166.221 (13) | C15—C16—C11 | 119.90 (17) |
| P1—Pd1—Cl1 | 175.897 (14) | C15—C16—H16A | 120.1 |
| P2—Pd1—Cl1 | 92.644 (14) | C11—C16—H16A | 120.1 |
| P3—Pd1—Cl1 | 99.430 (14) | C18—C17—C22 | 119.14 (15) |
| C29—P1—C3 | 105.15 (7) | C18—C17—P3 | 119.17 (12) |
| C29—P1—C2 | 108.28 (7) | C22—C17—P3 | 121.56 (12) |
| C3—P1—C2 | 113.38 (7) | C19—C18—C17 | 120.29 (15) |
| C29—P1—Pd1 | 112.53 (5) | C19—C18—H18A | 120.1 |
| C3—P1—Pd1 | 107.87 (5) | C17—C18—H18A | 120.1 |
| C2—P1—Pd1 | 109.64 (5) | C20—C19—C18 | 120.05 (15) |
| C11—P2—C5 | 104.67 (7) | C20—C19—H19A | 120.1 |
| C11—P2—C4 | 108.65 (7) | C18—C19—H19A | 120.1 |
| C5—P2—C4 | 104.60 (7) | C19—C20—C21 | 120.16 (15) |
| C11—P2—Pd1 | 115.24 (5) | C19—C20—H20A | 120.1 |
| C5—P2—Pd1 | 115.29 (5) | C21—C20—H20A | 120.1 |
| C4—P2—Pd1 | 107.76 (5) | C20—C21—C22 | 120.26 (15) |
| C23—P3—C17 | 104.71 (7) | C20—C21—H21A | 120.1 |
| C23—P3—C1 | 105.01 (7) | C22—C21—H21A | 120.1 |
| C17—P3—C1 | 106.71 (7) | C21—C22—C17 | 120.09 (15) |
| C23—P3—Pd1 | 120.12 (5) | C21—C22—H22A | 120.1 |
| C17—P3—Pd1 | 112.42 (5) | C17—C22—H22A | 120.1 |
| C1—P3—Pd1 | 106.97 (5) | C24—C23—C28 | 119.94 (14) |
| C1i—C2—H2A | 109.7 | C24—C23—P3 | 119.98 (12) |
| P1—C2—H2A | 111.0 | C28—C23—P3 | 120.07 (12) |
| C1i—C2—H2B | 109.7 | C23—C24—C25 | 119.72 (16) |
| P1—C2—H2B | 111.0 | C23—C24—H24A | 120.1 |
| C2—C1—P3 | 110.54 (10) | C25—C24—H24A | 120.1 |
| C2i—C1—H1A | 109.7 | C26—C25—C24 | 119.95 (17) |
| P3—C1—H1A | 109.7 | C26—C25—H25A | 120.1 |
| C2i—C1—H1B | 109.7 | C24—C25—H25A | 120.1 |
| P3—C1—H1B | 109.7 | C25—C26—C27 | 120.43 (15) |
| C1—C2—P1 | 106.09 (10) | C25—C26—H26A | 120.1 |
| C4—C3—P1 | 106.05 (10) | C27—C26—H26A | 120.1 |
| C4i—C3—H3A | 109.7 | C26—C27—C28 | 120.18 (17) |
| P1—C3—H3A | 111.0 | C26—C27—H27A | 120.1 |
| C4i—C3—H3B | 109.7 | C28—C27—H27A | 120.1 |
| P1—C3—H3B | 111.0 | C27—C28—C23 | 119.77 (16) |
| C3—C4—P2 | 108.46 (10) | C27—C28—H28A | 120.1 |
| C3i—C4—H4A | 109.7 | C23—C28—H28A | 120.1 |
| P2—C4—H4A | 111.0 | C30—C29—C34 | 118.84 (15) |
| C3i—C4—H4B | 109.7 | C30—C29—P1 | 121.20 (12) |
| P3—C4—H4B | 103.0 | C34—C29—P1 | 119.94 (12) |
| C10—C5—C6 | 119.82 (14) | C31—C30—C29 | 120.39 (15) |
| C10—C5—P2 | 122.34 (11) | C31—C30—H30A | 120.1 |
| C6—C5—P2 | 117.82 (12) | C29—C30—H30A | 120.1 |
| C7—C6—C5 | 120.02 (15) | C32—C31—C30 | 120.12 (16) |
| C7—C6—H6A | 120.1 | C32—C31—H31A | 120.1 |
| C5—C6—H6A | 120.1 | C30—C31—H31A | 120.1 |
| C6—C7—C8 | 120.02 (15) | C33—C32—C31 | 120.01 (17) |
| C6—C7—H7A | 120.1 | C33—C32—H32A | 120.1 |
| C8—C7—H7A | 120.1 | C31—C32—H32A | 120.1 |
| C9—C8—C7 | 120.21 (16) | C34—C33—C32 | 120.17 (16) |
| C9—C8—H8A | 120.1 | C34—C33—H33A | 120.1 |
| C7—C8—H8A | 120.1 | C32—C33—H33A | 120.1 |
| C8—C9—C10 | 120.21 (16) | C33—C34—C29 | 120.46 (16) |
| C8—C9—H9A | 120.1 | C33—C34—H34A | 120.1 |
| C10—C9—H9A | 120.1 | C29—C34—H34A | 120.1 |
| C5—C10—C9 | 119.72 (15) | F2—P4—F4 | 91.25 (6) |
| C5—C10—H10A | 120.1 | F2—P4—F3 | 90.49 (6) |
| C9—C10—H10A | 120.1 | F4—P4—F3 | 90.41 (5) |
| C16—C11—C12 | 119.14 (14) | F2—P4—F6 | 90.92 (6) |
| C16—C11—P2 | 121.99 (12) | F4—P4—F6 | 90.63 (6) |
| C12—C11—P2 | 118.63 (12) | F3—P4—F6 | 178.24 (6) |
| C13—C12—C11 | 120.33 (15) | F2—P4—F5 | 179.18 (6) |
| C13—C12—H12A | 120.1 | F4—P4—F5 | 89.44 (6) |
| C11—C12—H12A | 120.1 | F3—P4—F5 | 89.06 (6) |
| C14—C13—C12 | 120.02 (16) | F6—P4—F5 | 89.53 (6) |
| C14—C13—H13A | 120.1 | F2—P4—F1 | 89.86 (6) |
| C12—C13—H13A | 120.1 | F4—P4—F1 | 178.88 (6) |
| C15—C14—C13 | 119.87 (16) | F3—P4—F1 | 89.74 (5) |
| C15—C14—H14A | 120.1 | F6—P4—F1 | 89.19 (5) |
| C13—C14—H14A | 120.1 | F5—P4—F1 | 89.45 (6) |
| C14—C15—C16 | 120.72 (17) |
| Symmetry codes: (i) . |
| Pd1—P1 | 2.2176 (4) | Pd1—P3 | 2.3329 (4) |
| Pd1—P2 | 2.3178 (4) | Pd1—Cl1 | 2.3441 (4) |
We thank Research Corporation Cottrell Science Award (No. 7293) for funding that supported this research.
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The crystal structure of the title compound, (I), consists of a [Pd(triphos)Cl]+ cation and PF6- anion (Fig. 1). The cation shows a distorted square planar geometry around the metal center and the charge is balanced by a non-coordinating PF6- anion.